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Database: PDB
Entry: 6J1Y
LinkDB: 6J1Y
Original site: 6J1Y 
HEADER    LIGASE                                  30-DEC-18   6J1Y              
TITLE     SEMI-OPEN CONFORMATION E3 LIGASE                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NEDD4-LIKE E3 UBIQUITIN-PROTEIN LIGASE WWP1;               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: WWP1 SEMI-OPEN CONFORMATION;                               
COMPND   5 SYNONYM: ATROPHIN-1-INTERACTING PROTEIN 5,AIP5,HECT-TYPE E3 UBIQUITIN
COMPND   6 TRANSFERASE WWP1,TGIF-INTERACTING UBIQUITIN LIGASE 1,TIUL1,WW DOMAIN-
COMPND   7 CONTAINING PROTEIN 1;                                                
COMPND   8 EC: 2.3.2.26;                                                        
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: WWP1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE   7 PPPARG4;                                                             
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 1182032                                     
KEYWDS    E3 LIGASE, SEMI-OPEN CONFORMATION, AUTO-INHIBITION, LIGASE            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.H.LIU                                                               
REVDAT   2   07-AUG-19 6J1Y    1       JRNL                                     
REVDAT   1   24-JUL-19 6J1Y    0                                                
JRNL        AUTH   Z.WANG,Z.LIU,X.CHEN,J.LI,W.YAO,S.HUANG,A.GU,Q.Y.LEI,Y.MAO,   
JRNL        AUTH 2 W.WEN                                                        
JRNL        TITL   A MULTI-LOCK INHIBITORY MECHANISM FOR FINE-TUNING ENZYME     
JRNL        TITL 2 ACTIVITIES OF THE HECT FAMILY E3 LIGASES.                    
JRNL        REF    NAT COMMUN                    V.  10  3162 2019              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   31320636                                                     
JRNL        DOI    10.1038/S41467-019-11224-7                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.55 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.55                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 42.57                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.970                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 95.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 33949                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.210                           
REMARK   3   R VALUE            (WORKING SET) : 0.208                           
REMARK   3   FREE R VALUE                     : 0.254                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.860                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1649                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 42.5783 -  5.8335    0.96     2711   122  0.1988 0.2294        
REMARK   3     2  5.8335 -  4.6320    0.99     2768   150  0.1868 0.2217        
REMARK   3     3  4.6320 -  4.0470    0.98     2798   134  0.1785 0.2075        
REMARK   3     4  4.0470 -  3.6772    0.90     2528   129  0.2019 0.2341        
REMARK   3     5  3.6772 -  3.4138    0.73     2056   121  0.2248 0.2739        
REMARK   3     6  3.4138 -  3.2126    0.99     2793   139  0.2202 0.2926        
REMARK   3     7  3.2126 -  3.0518    0.99     2807   116  0.2285 0.3166        
REMARK   3     8  3.0518 -  2.9189    0.98     2790   132  0.2358 0.3175        
REMARK   3     9  2.9189 -  2.8066    0.98     2752   147  0.2342 0.2778        
REMARK   3    10  2.8066 -  2.7098    0.98     2752   159  0.2359 0.2965        
REMARK   3    11  2.7098 -  2.6251    0.98     2756   155  0.2581 0.3472        
REMARK   3    12  2.6251 -  2.5500    0.98     2789   145  0.2685 0.3148        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.360            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.800           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           6502                                  
REMARK   3   ANGLE     :  0.935           8841                                  
REMARK   3   CHIRALITY :  0.053            970                                  
REMARK   3   PLANARITY :  0.006           1130                                  
REMARK   3   DIHEDRAL  : 10.732           3739                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 11                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 430 THROUGH 624 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  49.8439  -3.3165 -19.1957              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3517 T22:   0.2945                                     
REMARK   3      T33:   0.5411 T12:   0.0323                                     
REMARK   3      T13:  -0.1004 T23:  -0.0111                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6133 L22:   3.3601                                     
REMARK   3      L33:   3.8948 L12:  -0.3661                                     
REMARK   3      L13:   0.4910 L23:  -0.4891                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0988 S12:  -0.0168 S13:  -0.1172                       
REMARK   3      S21:  -0.3692 S22:  -0.0633 S23:   0.5779                       
REMARK   3      S31:   0.0230 S32:  -0.3243 S33:  -0.1018                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 625 THROUGH 692 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  63.2042   0.8192 -11.6617              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4137 T22:   0.2492                                     
REMARK   3      T33:   0.5107 T12:   0.0425                                     
REMARK   3      T13:  -0.1172 T23:   0.0428                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8253 L22:   1.3138                                     
REMARK   3      L33:   2.4640 L12:   1.1877                                     
REMARK   3      L13:   1.2064 L23:   1.7630                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0966 S12:  -0.0292 S13:  -0.0471                       
REMARK   3      S21:   0.2277 S22:   0.0489 S23:   0.0821                       
REMARK   3      S31:   0.1198 S32:   0.0881 S33:  -0.1605                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 693 THROUGH 738 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  82.0670  18.9062  -8.5092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3960 T22:   0.3615                                     
REMARK   3      T33:   0.6358 T12:  -0.0184                                     
REMARK   3      T13:  -0.1021 T23:  -0.1349                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9541 L22:   4.8218                                     
REMARK   3      L33:   4.5357 L12:   1.8829                                     
REMARK   3      L13:  -1.1878 L23:  -0.3618                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0502 S12:  -0.6267 S13:   1.0052                       
REMARK   3      S21:  -0.0797 S22:  -0.0158 S23:  -0.1608                       
REMARK   3      S31:  -0.4083 S32:   0.0664 S33:  -0.0342                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 739 THROUGH 815 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  68.6633  10.8539 -16.7900              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4869 T22:   0.3145                                     
REMARK   3      T33:   0.5839 T12:   0.0513                                     
REMARK   3      T13:  -0.0366 T23:   0.0425                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2169 L22:   1.3250                                     
REMARK   3      L33:   0.4592 L12:   0.5322                                     
REMARK   3      L13:   0.2740 L23:   0.6072                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0856 S12:   0.1098 S13:  -0.1741                       
REMARK   3      S21:  -0.1600 S22:   0.0715 S23:  -0.0651                       
REMARK   3      S31:   0.1009 S32:   0.0885 S33:   0.0371                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 816 THROUGH 916 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  55.0476  28.4203 -12.6870              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2956 T22:   0.1929                                     
REMARK   3      T33:   0.4625 T12:   0.0418                                     
REMARK   3      T13:  -0.0529 T23:  -0.0012                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2353 L22:   6.3059                                     
REMARK   3      L33:   4.5454 L12:  -0.9961                                     
REMARK   3      L13:  -0.4994 L23:  -1.7247                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1780 S12:  -0.0141 S13:  -0.0206                       
REMARK   3      S21:  -0.3073 S22:  -0.2022 S23:  -0.2741                       
REMARK   3      S31:   0.2255 S32:   0.1119 S33:   0.0370                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 417 THROUGH 448 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  80.5303  35.7325  14.4033              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3645 T22:   0.6521                                     
REMARK   3      T33:   0.7887 T12:  -0.0106                                     
REMARK   3      T13:  -0.0018 T23:  -0.1315                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1170 L22:   6.5815                                     
REMARK   3      L33:   8.7117 L12:  -1.8654                                     
REMARK   3      L13:  -2.0648 L23:   5.9414                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5684 S12:   0.4242 S13:  -0.4446                       
REMARK   3      S21:  -0.6103 S22:  -0.2060 S23:  -0.3678                       
REMARK   3      S31:  -0.7005 S32:  -1.5253 S33:  -0.5679                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 449 THROUGH 546 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  72.4909  28.5547  49.2738              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3269 T22:   0.5548                                     
REMARK   3      T33:   0.4688 T12:  -0.0755                                     
REMARK   3      T13:   0.0029 T23:  -0.0178                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0621 L22:   5.7330                                     
REMARK   3      L33:   3.6104 L12:  -0.7016                                     
REMARK   3      L13:   1.5747 L23:   0.3691                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3292 S12:   0.1582 S13:   0.2780                       
REMARK   3      S21:   0.3195 S22:   0.2298 S23:   0.4272                       
REMARK   3      S31:   0.0861 S32:  -0.5250 S33:   0.1200                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 547 THROUGH 692 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  91.4347  27.9042  21.0118              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2566 T22:   0.4208                                     
REMARK   3      T33:   0.3980 T12:   0.0158                                     
REMARK   3      T13:  -0.0293 T23:  -0.1014                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7583 L22:   1.3509                                     
REMARK   3      L33:   2.4521 L12:   0.5734                                     
REMARK   3      L13:  -0.7733 L23:  -0.1607                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1989 S12:  -0.2857 S13:   0.1296                       
REMARK   3      S21:   0.0647 S22:   0.0186 S23:  -0.2731                       
REMARK   3      S31:  -0.0405 S32:   0.1208 S33:  -0.1723                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 693 THROUGH 752 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  76.1762  -2.4102   9.0443              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4250 T22:   0.3521                                     
REMARK   3      T33:   0.3891 T12:  -0.0138                                     
REMARK   3      T13:  -0.1540 T23:  -0.0412                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2656 L22:   9.2106                                     
REMARK   3      L33:   5.0590 L12:   0.8355                                     
REMARK   3      L13:  -0.9473 L23:   1.2728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0634 S12:   0.2236 S13:  -0.3110                       
REMARK   3      S21:  -0.5712 S22:  -0.0147 S23:   0.6072                       
REMARK   3      S31:   0.2963 S32:  -0.2060 S33:   0.0512                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 753 THROUGH 802 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  85.3100  14.2841  21.8993              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2882 T22:   0.4918                                     
REMARK   3      T33:   0.4764 T12:  -0.0042                                     
REMARK   3      T13:  -0.0917 T23:  -0.0385                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8423 L22:   5.5269                                     
REMARK   3      L33:   2.2362 L12:   1.8948                                     
REMARK   3      L13:  -0.0044 L23:   1.7164                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0276 S12:  -0.2139 S13:  -0.1611                       
REMARK   3      S21:   0.0289 S22:   0.1747 S23:  -0.3222                       
REMARK   3      S31:  -0.2106 S32:   0.2582 S33:  -0.1054                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 803 THROUGH 916 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  60.6846  22.6952  16.9642              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2500 T22:   0.3418                                     
REMARK   3      T33:   0.4104 T12:   0.0387                                     
REMARK   3      T13:  -0.0730 T23:  -0.0551                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9693 L22:   3.7317                                     
REMARK   3      L33:   6.7503 L12:   2.3362                                     
REMARK   3      L13:   0.5751 L23:  -1.4037                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1069 S12:  -0.6909 S13:  -0.0190                       
REMARK   3      S21:   0.0300 S22:  -0.1404 S23:  -0.3151                       
REMARK   3      S31:   0.0758 S32:  -0.0492 S33:   0.0477                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6J1Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JAN-19.                  
REMARK 100 THE DEPOSITION ID IS D_1300010335.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-NOV-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 33955                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.2                               
REMARK 200  DATA REDUNDANCY                : 4.000                              
REMARK 200  R MERGE                    (I) : 0.10800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 32.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.54                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.80000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.300                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: 5XMC                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 47.12                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.33                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M SODIUM MALONATE PH 5.0, 12% W/V     
REMARK 280  POLYETHYLENEGLYCOL 3350, VAPOR DIFFUSION, SITTING DROP,             
REMARK 280  TEMPERATURE 289.15K                                                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2                             
REMARK 350 SURFACE AREA OF THE COMPLEX: 19350 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 270 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 22680 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A   404                                                      
REMARK 465     PRO A   405                                                      
REMARK 465     GLY A   406                                                      
REMARK 465     SER A   407                                                      
REMARK 465     GLU A   408                                                      
REMARK 465     PHE A   409                                                      
REMARK 465     GLN A   410                                                      
REMARK 465     ARG A   411                                                      
REMARK 465     PRO A   412                                                      
REMARK 465     THR A   413                                                      
REMARK 465     MET A   414                                                      
REMARK 465     GLU A   415                                                      
REMARK 465     SER A   416                                                      
REMARK 465     VAL A   417                                                      
REMARK 465     ARG A   418                                                      
REMARK 465     ASN A   419                                                      
REMARK 465     PHE A   420                                                      
REMARK 465     GLU A   421                                                      
REMARK 465     GLN A   422                                                      
REMARK 465     TRP A   423                                                      
REMARK 465     GLN A   424                                                      
REMARK 465     SER A   425                                                      
REMARK 465     GLN A   426                                                      
REMARK 465     ARG A   427                                                      
REMARK 465     ASN A   428                                                      
REMARK 465     GLN A   429                                                      
REMARK 465     GLY A   461                                                      
REMARK 465     TRP A   462                                                      
REMARK 465     GLU A   463                                                      
REMARK 465     LYS A   464                                                      
REMARK 465     ARG A   465                                                      
REMARK 465     VAL A   466                                                      
REMARK 465     ASP A   467                                                      
REMARK 465     SER A   468                                                      
REMARK 465     THR A   469                                                      
REMARK 465     ASP A   470                                                      
REMARK 465     ARG A   471                                                      
REMARK 465     VAL A   472                                                      
REMARK 465     TYR A   473                                                      
REMARK 465     PHE A   474                                                      
REMARK 465     VAL A   475                                                      
REMARK 465     ASN A   476                                                      
REMARK 465     HIS A   477                                                      
REMARK 465     ASN A   478                                                      
REMARK 465     THR A   479                                                      
REMARK 465     LYS A   480                                                      
REMARK 465     THR A   481                                                      
REMARK 465     THR A   482                                                      
REMARK 465     GLN A   483                                                      
REMARK 465     TRP A   484                                                      
REMARK 465     GLU A   485                                                      
REMARK 465     ASP A   486                                                      
REMARK 465     PRO A   487                                                      
REMARK 465     ARG A   488                                                      
REMARK 465     THR A   489                                                      
REMARK 465     GLN A   490                                                      
REMARK 465     GLY A   491                                                      
REMARK 465     LEU A   492                                                      
REMARK 465     GLN A   493                                                      
REMARK 465     ASN A   494                                                      
REMARK 465     GLU A   495                                                      
REMARK 465     GLU A   496                                                      
REMARK 465     PRO A   497                                                      
REMARK 465     LEU A   498                                                      
REMARK 465     PRO A   499                                                      
REMARK 465     GLU A   500                                                      
REMARK 465     GLY A   501                                                      
REMARK 465     TRP A   502                                                      
REMARK 465     GLU A   503                                                      
REMARK 465     ILE A   504                                                      
REMARK 465     ARG A   505                                                      
REMARK 465     TYR A   506                                                      
REMARK 465     THR A   507                                                      
REMARK 465     ARG A   508                                                      
REMARK 465     GLU A   509                                                      
REMARK 465     GLY A   510                                                      
REMARK 465     VAL A   511                                                      
REMARK 465     ARG A   512                                                      
REMARK 465     TYR A   513                                                      
REMARK 465     PHE A   514                                                      
REMARK 465     VAL A   515                                                      
REMARK 465     ASP A   516                                                      
REMARK 465     HIS A   517                                                      
REMARK 465     ASN A   518                                                      
REMARK 465     THR A   519                                                      
REMARK 465     ARG A   520                                                      
REMARK 465     THR A   521                                                      
REMARK 465     THR A   522                                                      
REMARK 465     THR A   523                                                      
REMARK 465     PHE A   524                                                      
REMARK 465     LYS A   525                                                      
REMARK 465     ASP A   526                                                      
REMARK 465     PRO A   527                                                      
REMARK 465     ARG A   528                                                      
REMARK 465     ASN A   529                                                      
REMARK 465     GLY A   530                                                      
REMARK 465     LYS A   531                                                      
REMARK 465     SER A   532                                                      
REMARK 465     SER A   533                                                      
REMARK 465     VAL A   534                                                      
REMARK 465     THR A   535                                                      
REMARK 465     LYS A   536                                                      
REMARK 465     GLY A   537                                                      
REMARK 465     GLY A   538                                                      
REMARK 465     PRO A   539                                                      
REMARK 465     GLN A   540                                                      
REMARK 465     ILE A   541                                                      
REMARK 465     ALA A   542                                                      
REMARK 465     ALA A   634                                                      
REMARK 465     GLY A   635                                                      
REMARK 465     LYS A   636                                                      
REMARK 465     ASN A   637                                                      
REMARK 465     GLU A   917                                                      
REMARK 465     GLY A   918                                                      
REMARK 465     PHE A   919                                                      
REMARK 465     GLY A   920                                                      
REMARK 465     GLN A   921                                                      
REMARK 465     GLU A   922                                                      
REMARK 465     GLY B   404                                                      
REMARK 465     PRO B   405                                                      
REMARK 465     GLY B   406                                                      
REMARK 465     SER B   407                                                      
REMARK 465     GLU B   408                                                      
REMARK 465     PHE B   409                                                      
REMARK 465     GLN B   410                                                      
REMARK 465     ARG B   411                                                      
REMARK 465     PRO B   412                                                      
REMARK 465     THR B   413                                                      
REMARK 465     MET B   414                                                      
REMARK 465     GLU B   415                                                      
REMARK 465     SER B   416                                                      
REMARK 465     GLY B   530                                                      
REMARK 465     LYS B   531                                                      
REMARK 465     SER B   532                                                      
REMARK 465     SER B   533                                                      
REMARK 465     VAL B   534                                                      
REMARK 465     THR B   535                                                      
REMARK 465     LYS B   536                                                      
REMARK 465     GLY B   537                                                      
REMARK 465     GLY B   538                                                      
REMARK 465     PRO B   539                                                      
REMARK 465     GLN B   540                                                      
REMARK 465     GLY B   602                                                      
REMARK 465     GLU B   603                                                      
REMARK 465     GLU B   604                                                      
REMARK 465     GLY B   605                                                      
REMARK 465     LEU B   606                                                      
REMARK 465     ASP B   607                                                      
REMARK 465     TYR B   608                                                      
REMARK 465     GLY B   609                                                      
REMARK 465     GLY B   635                                                      
REMARK 465     LYS B   636                                                      
REMARK 465     ASN B   637                                                      
REMARK 465     ASN B   638                                                      
REMARK 465     VAL B   726                                                      
REMARK 465     ASP B   727                                                      
REMARK 465     MET B   728                                                      
REMARK 465     GLU B   729                                                      
REMARK 465     ILE B   730                                                      
REMARK 465     LEU B   731                                                      
REMARK 465     GLY B   732                                                      
REMARK 465     LYS B   733                                                      
REMARK 465     VAL B   734                                                      
REMARK 465     THR B   735                                                      
REMARK 465     SER B   736                                                      
REMARK 465     HIS B   737                                                      
REMARK 465     GLU B   917                                                      
REMARK 465     GLY B   918                                                      
REMARK 465     PHE B   919                                                      
REMARK 465     GLY B   920                                                      
REMARK 465     GLN B   921                                                      
REMARK 465     GLU B   922                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LEU A 430    CG   CD1  CD2                                       
REMARK 470     GLN A 431    CG   CD   OE1  NE2                                  
REMARK 470     MET A 434    CE                                                  
REMARK 470     GLN A 435    CG   CD   OE1  NE2                                  
REMARK 470     GLN A 439    CG   CD   OE1  NE2                                  
REMARK 470     SER A 446    OG                                                  
REMARK 470     GLU A 451    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 453    OD1  OD2                                            
REMARK 470     TYR A 455    CE1  CE2  CZ   OH                                   
REMARK 470     LEU A 458    CG   CD1  CD2                                       
REMARK 470     PRO A 460    CG   CD                                             
REMARK 470     GLU A 544    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 548    NH1  NH2                                            
REMARK 470     ARG A 555    NH1  NH2                                            
REMARK 470     TYR A 556    OH                                                  
REMARK 470     GLN A 559    CD   OE1  NE2                                       
REMARK 470     SER A 560    OG                                                  
REMARK 470     ASN A 561    CG   OD1  ND2                                       
REMARK 470     LYS A 568    CG   CD   CE   NZ                                   
REMARK 470     ILE A 569    CD1                                                 
REMARK 470     VAL A 571    CG1  CG2                                            
REMARK 470     SER A 572    OG                                                  
REMARK 470     ARG A 573    NH2                                                 
REMARK 470     GLN A 574    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 578    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 579    OD1  OD2                                            
REMARK 470     LYS A 588    CG   CD   CE   NZ                                   
REMARK 470     TYR A 590    OH                                                  
REMARK 470     ASP A 591    OD1  OD2                                            
REMARK 470     LEU A 592    CD1  CD2                                            
REMARK 470     LEU A 596    CG   CD1  CD2                                       
REMARK 470     ILE A 599    CD1                                                 
REMARK 470     GLU A 603    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 604    CG   CD   OE1  OE2                                  
REMARK 470     LEU A 606    CG   CD1  CD2                                       
REMARK 470     LEU A 611    CD1  CD2                                            
REMARK 470     GLU A 614    OE1  OE2                                            
REMARK 470     GLU A 622    CG   CD   OE1  OE2                                  
REMARK 470     ASN A 625    CG   OD1  ND2                                       
REMARK 470     MET A 627    CE                                                  
REMARK 470     CYS A 629    SG                                                  
REMARK 470     GLU A 632    CG   CD   OE1  OE2                                  
REMARK 470     TYR A 633    CE1  CE2  CZ   OH                                   
REMARK 470     TYR A 639    CD1  CE1  CE2  CZ   OH                              
REMARK 470     GLN A 642    CD   OE1  NE2                                       
REMARK 470     ILE A 649    CD1                                                 
REMARK 470     ASP A 652    CG   OD1  OD2                                       
REMARK 470     ILE A 664    CD1                                                 
REMARK 470     LYS A 684    NZ                                                  
REMARK 470     ARG A 685    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 689    CD   CE   NZ                                        
REMARK 470     LYS A 690    CG   CD   CE   NZ                                   
REMARK 470     THR A 692    OG1  CG2                                            
REMARK 470     ILE A 693    CD1                                                 
REMARK 470     LYS A 694    CG   CD   CE   NZ                                   
REMARK 470     LEU A 696    CG   CD1  CD2                                       
REMARK 470     GLU A 697    CD   OE1  OE2                                       
REMARK 470     ILE A 699    CG2  CD1                                            
REMARK 470     GLU A 702    CG   CD   OE1  OE2                                  
REMARK 470     LEU A 707    CD1  CD2                                            
REMARK 470     ILE A 708    CD1                                                 
REMARK 470     ILE A 715    CG1  CG2  CD1                                       
REMARK 470     GLU A 716    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 717    CG   CD   OE1  OE2                                  
REMARK 470     CYS A 718    SG                                                  
REMARK 470     LEU A 720    CG   CD1  CD2                                       
REMARK 470     GLU A 721    CG   CD   OE1  OE2                                  
REMARK 470     SER A 725    OG                                                  
REMARK 470     VAL A 726    CG1  CG2                                            
REMARK 470     ASP A 727    CG   OD1  OD2                                       
REMARK 470     MET A 728    CE                                                  
REMARK 470     GLU A 729    OE1  OE2                                            
REMARK 470     ILE A 730    CD1                                                 
REMARK 470     LEU A 731    CG   CD1  CD2                                       
REMARK 470     LYS A 733    CD   CE   NZ                                        
REMARK 470     VAL A 734    CG1  CG2                                            
REMARK 470     SER A 736    OG                                                  
REMARK 470     ASP A 738    CG   OD1  OD2                                       
REMARK 470     LYS A 740    NZ                                                  
REMARK 470     LEU A 741    CG   CD1  CD2                                       
REMARK 470     SER A 744    OG                                                  
REMARK 470     ASN A 745    OD1  ND2                                            
REMARK 470     ILE A 746    CD1                                                 
REMARK 470     GLU A 750    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 751    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 753    CD   CE   NZ                                        
REMARK 470     ASP A 754    CG   OD1  OD2                                       
REMARK 470     ILE A 757    CD1                                                 
REMARK 470     GLU A 762    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 771    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 778    OD1                                                 
REMARK 470     GLN A 787    CG   CD   OE1  NE2                                  
REMARK 470     TYR A 791    CD1  CD2  CE1  CE2  CZ   OH                         
REMARK 470     GLU A 794    OE1                                                 
REMARK 470     MET A 804    CE                                                  
REMARK 470     GLN A 805    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 806    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 808    CG   OD1  OD2                                       
REMARK 470     LEU A 809    CD1  CD2                                            
REMARK 470     ARG A 814    NE   CZ   NH1  NH2                                  
REMARK 470     ARG A 819    NH1  NH2                                            
REMARK 470     ARG A 823    NE   CZ   NH1  NH2                                  
REMARK 470     ILE A 829    CD1                                                 
REMARK 470     LYS A 836    CG   CD   CE   NZ                                   
REMARK 470     GLU A 837    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 839    CG   OD1  OD2                                       
REMARK 470     LEU A 856    CG   CD1  CD2                                       
REMARK 470     LEU A 858    CG   CD1  CD2                                       
REMARK 470     GLU A 863    CD   OE1  OE2                                       
REMARK 470     GLN A 871    OE1  NE2                                            
REMARK 470     GLU A 876    OE1  OE2                                            
REMARK 470     LYS A 877    NZ                                                  
REMARK 470     LYS A 880    CG   CD   CE   NZ                                   
REMARK 470     ASP A 881    CG   OD1  OD2                                       
REMARK 470     LEU A 884    CD1  CD2                                            
REMARK 470     ARG A 886    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     SER A 887    OG                                                  
REMARK 470     LYS A 900    CG   CD   CE   NZ                                   
REMARK 470     GLU A 903    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 906    NZ                                                  
REMARK 470     GLU A 907    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 908    NZ                                                  
REMARK 470     ILE A 913    CD1                                                 
REMARK 470     GLU A 914    CD   OE1  OE2                                       
REMARK 470     GLU A 915    CG   CD   OE1  OE2                                  
REMARK 470     THR A 916    OG1  CG2                                            
REMARK 470     VAL B 417    CG1  CG2                                            
REMARK 470     ARG B 418    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN B 419    CG   OD1  ND2                                       
REMARK 470     PHE B 420    CD1  CD2  CE1  CE2  CZ                              
REMARK 470     GLN B 422    CG   CD   OE1  NE2                                  
REMARK 470     TRP B 423    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP B 423    CZ3  CH2                                            
REMARK 470     SER B 425    OG                                                  
REMARK 470     GLN B 426    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 427    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN B 428    CG   OD1  ND2                                       
REMARK 470     GLN B 429    CG   CD   OE1  NE2                                  
REMARK 470     LEU B 430    CG   CD1  CD2                                       
REMARK 470     GLN B 431    CG   CD   OE1  NE2                                  
REMARK 470     GLN B 435    NE2                                                 
REMARK 470     GLN B 436    CD   OE1  NE2                                       
REMARK 470     GLN B 439    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 440    NH1  NH2                                            
REMARK 470     LEU B 442    CG   CD1  CD2                                       
REMARK 470     SER B 444    OG                                                  
REMARK 470     SER B 446    OG                                                  
REMARK 470     LEU B 448    CD1  CD2                                            
REMARK 470     GLU B 451    CG   CD   OE1  OE2                                  
REMARK 470     ASN B 452    OD1  ND2                                            
REMARK 470     ASP B 453    CG   OD1  OD2                                       
REMARK 470     PRO B 454    CG   CD                                             
REMARK 470     PRO B 460    CG   CD                                             
REMARK 470     GLU B 463    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 464    CE   NZ                                             
REMARK 470     ARG B 465    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     VAL B 466    CG1  CG2                                            
REMARK 470     ASP B 467    CG   OD1  OD2                                       
REMARK 470     SER B 468    OG                                                  
REMARK 470     THR B 469    OG1  CG2                                            
REMARK 470     ASP B 470    CG   OD1  OD2                                       
REMARK 470     TYR B 473    OH                                                  
REMARK 470     VAL B 475    CG1  CG2                                            
REMARK 470     HIS B 477    ND1  CD2  CE1  NE2                                  
REMARK 470     ASN B 478    CG   OD1  ND2                                       
REMARK 470     THR B 479    OG1  CG2                                            
REMARK 470     LYS B 480    CG   CD   CE   NZ                                   
REMARK 470     THR B 481    OG1  CG2                                            
REMARK 470     THR B 482    OG1  CG2                                            
REMARK 470     GLU B 485    CG   CD   OE1  OE2                                  
REMARK 470     LEU B 492    CD1  CD2                                            
REMARK 470     GLU B 495    CD   OE1  OE2                                       
REMARK 470     GLU B 496    CG   CD   OE1  OE2                                  
REMARK 470     LEU B 498    CD1  CD2                                            
REMARK 470     GLU B 500    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 503    OE2                                                 
REMARK 470     ILE B 504    CD1                                                 
REMARK 470     ARG B 505    NH1  NH2                                            
REMARK 470     ARG B 508    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU B 509    CG   CD   OE1  OE2                                  
REMARK 470     VAL B 511    CG1  CG2                                            
REMARK 470     ARG B 512    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN B 518    OD1  ND2                                            
REMARK 470     ARG B 520    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     THR B 521    OG1  CG2                                            
REMARK 470     THR B 523    OG1  CG2                                            
REMARK 470     PHE B 524    CD1  CD2  CE1  CE2  CZ                              
REMARK 470     LYS B 525    CG   CD   CE   NZ                                   
REMARK 470     PRO B 527    CG   CD                                             
REMARK 470     ASN B 529    CG   OD1  ND2                                       
REMARK 470     GLU B 544    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 548    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     HIS B 553    CG   ND1  CD2  CE1  NE2                             
REMARK 470     ARG B 555    CZ   NH1  NH2                                       
REMARK 470     GLN B 559    OE1  NE2                                            
REMARK 470     SER B 560    OG                                                  
REMARK 470     LEU B 563    CD1  CD2                                            
REMARK 470     PRO B 564    CG   CD                                             
REMARK 470     SER B 565    OG                                                  
REMARK 470     HIS B 566    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS B 568    CG   CD   CE   NZ                                   
REMARK 470     ILE B 569    CD1                                                 
REMARK 470     ASN B 570    CG   OD1  ND2                                       
REMARK 470     VAL B 571    CG1  CG2                                            
REMARK 470     SER B 572    OG                                                  
REMARK 470     GLN B 574    CD   OE1  NE2                                       
REMARK 470     THR B 575    OG1  CG2                                            
REMARK 470     LEU B 576    CD1  CD2                                            
REMARK 470     GLU B 578    CG   CD   OE1  OE2                                  
REMARK 470     ASP B 579    OD1  OD2                                            
REMARK 470     SER B 580    OG                                                  
REMARK 470     GLN B 582    OE1  NE2                                            
REMARK 470     GLN B 583    O                                                   
REMARK 470     ILE B 584    CD1                                                 
REMARK 470     LYS B 588    CG   CD   CE   NZ                                   
REMARK 470     PRO B 589    CG   CD                                             
REMARK 470     TYR B 590    CD1  CD2  CE1  CE2  CZ   OH                         
REMARK 470     ASP B 591    CG   OD1  OD2                                       
REMARK 470     LEU B 592    CD1  CD2                                            
REMARK 470     ARG B 594    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 595    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU B 596    CG   CD1  CD2                                       
REMARK 470     TYR B 597    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     VAL B 598    CG1  CG2                                            
REMARK 470     ILE B 599    CD1                                                 
REMARK 470     ARG B 601    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU B 611    CG   CD1  CD2                                       
REMARK 470     GLU B 614    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 622    CG   CD   OE1  OE2                                  
REMARK 470     VAL B 623    CG1  CG2                                            
REMARK 470     LEU B 624    CG   CD1  CD2                                       
REMARK 470     PRO B 626    CG   CD                                             
REMARK 470     MET B 627    CG   SD   CE                                        
REMARK 470     TYR B 628    CD1  CD2  CE1  CE2  CZ   OH                         
REMARK 470     CYS B 629    SG                                                  
REMARK 470     LEU B 630    CD1  CD2                                            
REMARK 470     GLU B 632    CG   CD   OE1  OE2                                  
REMARK 470     TYR B 633    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     TYR B 639    CD1  CD2  CE1  CE2  CZ   OH                         
REMARK 470     CYS B 640    SG                                                  
REMARK 470     GLN B 642    CG   CD   OE1  NE2                                  
REMARK 470     ILE B 649    CD1                                                 
REMARK 470     ASP B 652    CG   OD1  OD2                                       
REMARK 470     LEU B 654    CD1  CD2                                            
REMARK 470     MET B 666    CE                                                  
REMARK 470     LYS B 684    NZ                                                  
REMARK 470     ARG B 685    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 689    CE   NZ                                             
REMARK 470     LYS B 690    CG   CD   CE   NZ                                   
REMARK 470     LEU B 691    CG   CD1  CD2                                       
REMARK 470     THR B 692    OG1  CG2                                            
REMARK 470     ILE B 693    CD1                                                 
REMARK 470     LYS B 694    CG   CD   CE   NZ                                   
REMARK 470     ASP B 695    CG   OD1  OD2                                       
REMARK 470     SER B 698    OG                                                  
REMARK 470     ILE B 699    CG1  CG2  CD1                                       
REMARK 470     GLU B 702    CG   CD   OE1  OE2                                  
REMARK 470     ILE B 710    CG2  CD1                                            
REMARK 470     ARG B 711    NH1  NH2                                            
REMARK 470     ASN B 714    CG   OD1  ND2                                       
REMARK 470     ILE B 715    CG1  CG2  CD1                                       
REMARK 470     GLU B 716    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 717    OE1  OE2                                            
REMARK 470     CYS B 718    SG                                                  
REMARK 470     LEU B 720    CG   CD1  CD2                                       
REMARK 470     TYR B 723    CD2  CE2  CZ   OH                                   
REMARK 470     PHE B 724    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     SER B 725    OG                                                  
REMARK 470     ASP B 738    CG   OD1  OD2                                       
REMARK 470     LYS B 740    CD   CE   NZ                                        
REMARK 470     SER B 744    OG                                                  
REMARK 470     ASN B 745    CG   OD1  ND2                                       
REMARK 470     ILE B 746    CG1  CG2  CD1                                       
REMARK 470     LEU B 747    CG   CD1  CD2                                       
REMARK 470     VAL B 748    CG1  CG2                                            
REMARK 470     GLU B 750    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 751    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 753    CG   CD   CE   NZ                                   
REMARK 470     ASP B 754    CG   OD1  OD2                                       
REMARK 470     GLU B 755    CG   CD   OE1  OE2                                  
REMARK 470     LEU B 759    CD1  CD2                                            
REMARK 470     GLU B 762    CG   CD   OE1  OE2                                  
REMARK 470     SER B 766    OG                                                  
REMARK 470     GLN B 770    CG   CD   OE1  NE2                                  
REMARK 470     GLU B 771    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 774    CD   CE   NZ                                        
REMARK 470     ASP B 778    CG   OD1  OD2                                       
REMARK 470     GLN B 787    OE1                                                 
REMARK 470     GLU B 794    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 795    CD   CE   NZ                                        
REMARK 470     LEU B 797    CD1  CD2                                            
REMARK 470     GLU B 798    OE1                                                 
REMARK 470     MET B 800    CE                                                  
REMARK 470     MET B 804    CE                                                  
REMARK 470     GLN B 805    CG   CD   OE1  NE2                                  
REMARK 470     GLU B 806    CG   CD   OE1  OE2                                  
REMARK 470     VAL B 807    CG1  CG2                                            
REMARK 470     LEU B 809    CG   CD1  CD2                                       
REMARK 470     ARG B 819    NH2                                                 
REMARK 470     ILE B 829    CD1                                                 
REMARK 470     GLN B 833    CD   OE1  NE2                                       
REMARK 470     LYS B 836    CG   CD   CE   NZ                                   
REMARK 470     GLU B 837    CG   CD   OE1  OE2                                  
REMARK 470     ASP B 839    CG   OD1  OD2                                       
REMARK 470     GLU B 841    CG   CD   OE1  OE2                                  
REMARK 470     MET B 844    CE                                                  
REMARK 470     LEU B 858    CD1  CD2                                            
REMARK 470     GLU B 863    CG   CD   OE1  OE2                                  
REMARK 470     MET B 865    CE                                                  
REMARK 470     SER B 867    OG                                                  
REMARK 470     ASN B 868    CG   OD1  ND2                                       
REMARK 470     LYS B 872    NZ                                                  
REMARK 470     GLU B 876    OE1  OE2                                            
REMARK 470     LYS B 877    CE   NZ                                             
REMARK 470     VAL B 878    CG1  CG2                                            
REMARK 470     LYS B 880    CG   CD   CE   NZ                                   
REMARK 470     ASP B 881    CG   OD1  OD2                                       
REMARK 470     THR B 882    OG1  CG2                                            
REMARK 470     LEU B 884    CD1  CD2                                            
REMARK 470     ARG B 886    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 893    CZ   NH1  NH2                                       
REMARK 470     ASP B 895    OD2                                                 
REMARK 470     TYR B 899    OH                                                  
REMARK 470     LYS B 900    CD   CE   NZ                                        
REMARK 470     GLU B 903    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 904    OE1  NE2                                            
REMARK 470     LYS B 906    CG   CD   CE   NZ                                   
REMARK 470     GLU B 907    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 908    CE   NZ                                             
REMARK 470     ILE B 913    CD1                                                 
REMARK 470     GLU B 915    CG   CD   OE1  OE2                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    SER A 565     -156.57     69.99                                   
REMARK 500    THR A 575       36.50   -146.46                                   
REMARK 500    GLU A 604     -130.84     55.22                                   
REMARK 500    ASP A 700       89.45   -161.64                                   
REMARK 500    HIS A 820       16.46     58.31                                   
REMARK 500    ARG A 823      -46.39    -28.24                                   
REMARK 500    GLN A 871      110.00   -162.18                                   
REMARK 500    GLN B 429       36.17    -71.60                                   
REMARK 500    MET B 447        5.98    -64.69                                   
REMARK 500    PRO B 564       84.20    -65.13                                   
REMARK 500    SER B 565     -179.66   -172.99                                   
REMARK 500    ILE B 715       -5.63    -58.29                                   
REMARK 500    GLU B 717       24.17    -76.44                                   
REMARK 500    CYS B 718        9.57     80.03                                   
REMARK 500    ILE B 746       18.04   -141.60                                   
REMARK 500    GLU B 750     -116.60   -141.38                                   
REMARK 500    VAL B 769       -4.70   -141.98                                   
REMARK 500    HIS B 820       12.48     58.42                                   
REMARK 500    GLN B 871      106.04   -171.15                                   
REMARK 500    ASP B 881        4.34    -65.85                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 1001                
DBREF  6J1Y A  410   922  UNP    Q9H0M0   WWP1_HUMAN     410    922             
DBREF  6J1Y B  410   922  UNP    Q9H0M0   WWP1_HUMAN     410    922             
SEQADV 6J1Y GLY A  404  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y PRO A  405  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y GLY A  406  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y SER A  407  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y GLU A  408  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y PHE A  409  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y GLY B  404  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y PRO B  405  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y GLY B  406  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y SER B  407  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y GLU B  408  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1Y PHE B  409  UNP  Q9H0M0              EXPRESSION TAG                 
SEQRES   1 A  519  GLY PRO GLY SER GLU PHE GLN ARG PRO THR MET GLU SER          
SEQRES   2 A  519  VAL ARG ASN PHE GLU GLN TRP GLN SER GLN ARG ASN GLN          
SEQRES   3 A  519  LEU GLN GLY ALA MET GLN GLN PHE ASN GLN ARG TYR LEU          
SEQRES   4 A  519  TYR SER ALA SER MET LEU ALA ALA GLU ASN ASP PRO TYR          
SEQRES   5 A  519  GLY PRO LEU PRO PRO GLY TRP GLU LYS ARG VAL ASP SER          
SEQRES   6 A  519  THR ASP ARG VAL TYR PHE VAL ASN HIS ASN THR LYS THR          
SEQRES   7 A  519  THR GLN TRP GLU ASP PRO ARG THR GLN GLY LEU GLN ASN          
SEQRES   8 A  519  GLU GLU PRO LEU PRO GLU GLY TRP GLU ILE ARG TYR THR          
SEQRES   9 A  519  ARG GLU GLY VAL ARG TYR PHE VAL ASP HIS ASN THR ARG          
SEQRES  10 A  519  THR THR THR PHE LYS ASP PRO ARG ASN GLY LYS SER SER          
SEQRES  11 A  519  VAL THR LYS GLY GLY PRO GLN ILE ALA TYR GLU ARG GLY          
SEQRES  12 A  519  PHE ARG TRP LYS LEU ALA HIS PHE ARG TYR LEU CYS GLN          
SEQRES  13 A  519  SER ASN ALA LEU PRO SER HIS VAL LYS ILE ASN VAL SER          
SEQRES  14 A  519  ARG GLN THR LEU PHE GLU ASP SER PHE GLN GLN ILE MET          
SEQRES  15 A  519  ALA LEU LYS PRO TYR ASP LEU ARG ARG ARG LEU TYR VAL          
SEQRES  16 A  519  ILE PHE ARG GLY GLU GLU GLY LEU ASP TYR GLY GLY LEU          
SEQRES  17 A  519  ALA ARG GLU TRP PHE PHE LEU LEU SER HIS GLU VAL LEU          
SEQRES  18 A  519  ASN PRO MET TYR CYS LEU PHE GLU TYR ALA GLY LYS ASN          
SEQRES  19 A  519  ASN TYR CYS LEU GLN ILE ASN PRO ALA SER THR ILE ASN          
SEQRES  20 A  519  PRO ASP HIS LEU SER TYR PHE CYS PHE ILE GLY ARG PHE          
SEQRES  21 A  519  ILE ALA MET ALA LEU PHE HIS GLY LYS PHE ILE ASP THR          
SEQRES  22 A  519  GLY PHE SER LEU PRO PHE TYR LYS ARG MET LEU SER LYS          
SEQRES  23 A  519  LYS LEU THR ILE LYS ASP LEU GLU SER ILE ASP THR GLU          
SEQRES  24 A  519  PHE TYR ASN SER LEU ILE TRP ILE ARG ASP ASN ASN ILE          
SEQRES  25 A  519  GLU GLU CYS GLY LEU GLU MET TYR PHE SER VAL ASP MET          
SEQRES  26 A  519  GLU ILE LEU GLY LYS VAL THR SER HIS ASP LEU LYS LEU          
SEQRES  27 A  519  GLY GLY SER ASN ILE LEU VAL THR GLU GLU ASN LYS ASP          
SEQRES  28 A  519  GLU TYR ILE GLY LEU MET THR GLU TRP ARG PHE SER ARG          
SEQRES  29 A  519  GLY VAL GLN GLU GLN THR LYS ALA PHE LEU ASP GLY PHE          
SEQRES  30 A  519  ASN GLU VAL VAL PRO LEU GLN TRP LEU GLN TYR PHE ASP          
SEQRES  31 A  519  GLU LYS GLU LEU GLU VAL MET LEU CYS GLY MET GLN GLU          
SEQRES  32 A  519  VAL ASP LEU ALA ASP TRP GLN ARG ASN THR VAL TYR ARG          
SEQRES  33 A  519  HIS TYR THR ARG ASN SER LYS GLN ILE ILE TRP PHE TRP          
SEQRES  34 A  519  GLN PHE VAL LYS GLU THR ASP ASN GLU VAL ARG MET ARG          
SEQRES  35 A  519  LEU LEU GLN PHE VAL THR GLY THR CYS ARG LEU PRO LEU          
SEQRES  36 A  519  GLY GLY PHE ALA GLU LEU MET GLY SER ASN GLY PRO GLN          
SEQRES  37 A  519  LYS PHE CYS ILE GLU LYS VAL GLY LYS ASP THR TRP LEU          
SEQRES  38 A  519  PRO ARG SER HIS THR CYS PHE ASN ARG LEU ASP LEU PRO          
SEQRES  39 A  519  PRO TYR LYS SER TYR GLU GLN LEU LYS GLU LYS LEU LEU          
SEQRES  40 A  519  PHE ALA ILE GLU GLU THR GLU GLY PHE GLY GLN GLU              
SEQRES   1 B  519  GLY PRO GLY SER GLU PHE GLN ARG PRO THR MET GLU SER          
SEQRES   2 B  519  VAL ARG ASN PHE GLU GLN TRP GLN SER GLN ARG ASN GLN          
SEQRES   3 B  519  LEU GLN GLY ALA MET GLN GLN PHE ASN GLN ARG TYR LEU          
SEQRES   4 B  519  TYR SER ALA SER MET LEU ALA ALA GLU ASN ASP PRO TYR          
SEQRES   5 B  519  GLY PRO LEU PRO PRO GLY TRP GLU LYS ARG VAL ASP SER          
SEQRES   6 B  519  THR ASP ARG VAL TYR PHE VAL ASN HIS ASN THR LYS THR          
SEQRES   7 B  519  THR GLN TRP GLU ASP PRO ARG THR GLN GLY LEU GLN ASN          
SEQRES   8 B  519  GLU GLU PRO LEU PRO GLU GLY TRP GLU ILE ARG TYR THR          
SEQRES   9 B  519  ARG GLU GLY VAL ARG TYR PHE VAL ASP HIS ASN THR ARG          
SEQRES  10 B  519  THR THR THR PHE LYS ASP PRO ARG ASN GLY LYS SER SER          
SEQRES  11 B  519  VAL THR LYS GLY GLY PRO GLN ILE ALA TYR GLU ARG GLY          
SEQRES  12 B  519  PHE ARG TRP LYS LEU ALA HIS PHE ARG TYR LEU CYS GLN          
SEQRES  13 B  519  SER ASN ALA LEU PRO SER HIS VAL LYS ILE ASN VAL SER          
SEQRES  14 B  519  ARG GLN THR LEU PHE GLU ASP SER PHE GLN GLN ILE MET          
SEQRES  15 B  519  ALA LEU LYS PRO TYR ASP LEU ARG ARG ARG LEU TYR VAL          
SEQRES  16 B  519  ILE PHE ARG GLY GLU GLU GLY LEU ASP TYR GLY GLY LEU          
SEQRES  17 B  519  ALA ARG GLU TRP PHE PHE LEU LEU SER HIS GLU VAL LEU          
SEQRES  18 B  519  ASN PRO MET TYR CYS LEU PHE GLU TYR ALA GLY LYS ASN          
SEQRES  19 B  519  ASN TYR CYS LEU GLN ILE ASN PRO ALA SER THR ILE ASN          
SEQRES  20 B  519  PRO ASP HIS LEU SER TYR PHE CYS PHE ILE GLY ARG PHE          
SEQRES  21 B  519  ILE ALA MET ALA LEU PHE HIS GLY LYS PHE ILE ASP THR          
SEQRES  22 B  519  GLY PHE SER LEU PRO PHE TYR LYS ARG MET LEU SER LYS          
SEQRES  23 B  519  LYS LEU THR ILE LYS ASP LEU GLU SER ILE ASP THR GLU          
SEQRES  24 B  519  PHE TYR ASN SER LEU ILE TRP ILE ARG ASP ASN ASN ILE          
SEQRES  25 B  519  GLU GLU CYS GLY LEU GLU MET TYR PHE SER VAL ASP MET          
SEQRES  26 B  519  GLU ILE LEU GLY LYS VAL THR SER HIS ASP LEU LYS LEU          
SEQRES  27 B  519  GLY GLY SER ASN ILE LEU VAL THR GLU GLU ASN LYS ASP          
SEQRES  28 B  519  GLU TYR ILE GLY LEU MET THR GLU TRP ARG PHE SER ARG          
SEQRES  29 B  519  GLY VAL GLN GLU GLN THR LYS ALA PHE LEU ASP GLY PHE          
SEQRES  30 B  519  ASN GLU VAL VAL PRO LEU GLN TRP LEU GLN TYR PHE ASP          
SEQRES  31 B  519  GLU LYS GLU LEU GLU VAL MET LEU CYS GLY MET GLN GLU          
SEQRES  32 B  519  VAL ASP LEU ALA ASP TRP GLN ARG ASN THR VAL TYR ARG          
SEQRES  33 B  519  HIS TYR THR ARG ASN SER LYS GLN ILE ILE TRP PHE TRP          
SEQRES  34 B  519  GLN PHE VAL LYS GLU THR ASP ASN GLU VAL ARG MET ARG          
SEQRES  35 B  519  LEU LEU GLN PHE VAL THR GLY THR CYS ARG LEU PRO LEU          
SEQRES  36 B  519  GLY GLY PHE ALA GLU LEU MET GLY SER ASN GLY PRO GLN          
SEQRES  37 B  519  LYS PHE CYS ILE GLU LYS VAL GLY LYS ASP THR TRP LEU          
SEQRES  38 B  519  PRO ARG SER HIS THR CYS PHE ASN ARG LEU ASP LEU PRO          
SEQRES  39 B  519  PRO TYR LYS SER TYR GLU GLN LEU LYS GLU LYS LEU LEU          
SEQRES  40 B  519  PHE ALA ILE GLU GLU THR GLU GLY PHE GLY GLN GLU              
HET    GOL  B1001       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   3  GOL    C3 H8 O3                                                     
FORMUL   4  HOH   *10(H2 O)                                                     
HELIX    1 AA1 LEU A  430  SER A  444  1                                  15    
HELIX    2 AA2 ALA A  445  ALA A  449  5                                   5    
HELIX    3 AA3 GLY A  546  ASN A  561  1                                  16    
HELIX    4 AA4 SER A  572  GLN A  574  5                                   3    
HELIX    5 AA5 THR A  575  LEU A  587  1                                  13    
HELIX    6 AA6 PRO A  589  ARG A  594  5                                   6    
HELIX    7 AA7 GLY A  609  VAL A  623  1                                  15    
HELIX    8 AA8 LEU A  624  CYS A  629  5                                   6    
HELIX    9 AA9 ASN A  644  ASN A  650  5                                   7    
HELIX   10 AB1 ASP A  652  HIS A  670  1                                  19    
HELIX   11 AB2 SER A  679  LEU A  687  1                                   9    
HELIX   12 AB3 THR A  692  SER A  698  1                                   7    
HELIX   13 AB4 ASP A  700  ASN A  713  1                                  14    
HELIX   14 AB5 ASN A  714  GLY A  719  1                                   6    
HELIX   15 AB6 GLY A  742  ILE A  746  5                                   5    
HELIX   16 AB7 ASN A  752  SER A  766  1                                  15    
HELIX   17 AB8 VAL A  769  VAL A  784  1                                  16    
HELIX   18 AB9 PRO A  785  GLN A  790  5                                   6    
HELIX   19 AC1 ASP A  793  GLY A  803  1                                  11    
HELIX   20 AC2 ASP A  808  ASN A  815  1                                   8    
HELIX   21 AC3 SER A  825  THR A  838  1                                  14    
HELIX   22 AC4 ASP A  839  GLY A  852  1                                  14    
HELIX   23 AC5 GLY A  859  GLU A  863  5                                   5    
HELIX   24 AC6 THR A  889  PHE A  891  5                                   3    
HELIX   25 AC7 SER A  901  GLU A  915  1                                  15    
HELIX   26 AC8 ASN B  419  ARG B  427  1                                   9    
HELIX   27 AC9 GLN B  429  SER B  444  1                                  16    
HELIX   28 AD1 ALA B  445  ALA B  449  5                                   5    
HELIX   29 AD2 ASP B  486  GLY B  491  5                                   6    
HELIX   30 AD3 GLY B  546  SER B  560  1                                  15    
HELIX   31 AD4 SER B  572  GLN B  574  5                                   3    
HELIX   32 AD5 THR B  575  ALA B  586  1                                  12    
HELIX   33 AD6 PRO B  589  ARG B  594  5                                   6    
HELIX   34 AD7 LEU B  611  VAL B  623  1                                  13    
HELIX   35 AD8 LEU B  624  CYS B  629  5                                   6    
HELIX   36 AD9 ALA B  646  ASN B  650  5                                   5    
HELIX   37 AE1 ASP B  652  GLY B  671  1                                  20    
HELIX   38 AE2 SER B  679  LEU B  687  1                                   9    
HELIX   39 AE3 THR B  692  LYS B  694  5                                   3    
HELIX   40 AE4 ASP B  695  ASP B  700  1                                   6    
HELIX   41 AE5 ASP B  700  ASN B  713  1                                  14    
HELIX   42 AE6 ASN B  752  ARG B  767  1                                  16    
HELIX   43 AE7 VAL B  769  GLU B  782  1                                  14    
HELIX   44 AE8 PRO B  785  GLN B  790  5                                   6    
HELIX   45 AE9 ASP B  793  GLY B  803  1                                  11    
HELIX   46 AF1 ASP B  808  ASN B  815  1                                   8    
HELIX   47 AF2 SER B  825  GLU B  837  1                                  13    
HELIX   48 AF3 ASP B  839  GLY B  852  1                                  14    
HELIX   49 AF4 GLY B  859  GLU B  863  5                                   5    
HELIX   50 AF5 THR B  889  PHE B  891  5                                   3    
HELIX   51 AF6 SER B  901  GLU B  915  1                                  15    
SHEET    1 AA1 2 HIS A 566  VAL A 571  0                                        
SHEET    2 AA1 2 ARG A 595  PHE A 600  1  O  ILE A 599   N  VAL A 571           
SHEET    1 AA2 2 CYS A 640  LEU A 641  0                                        
SHEET    2 AA2 2 GLY A 677  PHE A 678  1  O  GLY A 677   N  LEU A 641           
SHEET    1 AA3 2 SER A 725  ILE A 730  0                                        
SHEET    2 AA3 2 LYS A 733  ASP A 738 -1  O  HIS A 737   N  VAL A 726           
SHEET    1 AA4 4 THR A 816  ARG A 819  0                                        
SHEET    2 AA4 4 PHE A 873  LYS A 877  1  O  ILE A 875   N  VAL A 817           
SHEET    3 AA4 4 ARG A 893  LEU A 896  1  O  LEU A 894   N  CYS A 874           
SHEET    4 AA4 4 ARG A 886  HIS A 888 -1  N  ARG A 886   O  ASP A 895           
SHEET    1 AA5 2 MET A 865  GLY A 866  0                                        
SHEET    2 AA5 2 GLY A 869  PRO A 870 -1  O  GLY A 869   N  GLY A 866           
SHEET    1 AA6 3 TRP B 462  VAL B 466  0                                        
SHEET    2 AA6 3 VAL B 472  ASN B 476 -1  O  VAL B 475   N  GLU B 463           
SHEET    3 AA6 3 THR B 481  GLN B 483 -1  O  GLN B 483   N  PHE B 474           
SHEET    1 AA7 3 TRP B 502  TYR B 506  0                                        
SHEET    2 AA7 3 ARG B 512  ASP B 516 -1  O  VAL B 515   N  GLU B 503           
SHEET    3 AA7 3 THR B 521  THR B 523 -1  O  THR B 523   N  PHE B 514           
SHEET    1 AA8 2 HIS B 566  VAL B 571  0                                        
SHEET    2 AA8 2 ARG B 595  PHE B 600  1  O  TYR B 597   N  ILE B 569           
SHEET    1 AA9 4 VAL B 817  ARG B 819  0                                        
SHEET    2 AA9 4 CYS B 874  LYS B 877  1  O  LYS B 877   N  ARG B 819           
SHEET    3 AA9 4 ARG B 893  LEU B 896  1  O  LEU B 894   N  CYS B 874           
SHEET    4 AA9 4 ARG B 886  HIS B 888 -1  N  ARG B 886   O  ASP B 895           
SHEET    1 AB1 2 MET B 865  GLY B 866  0                                        
SHEET    2 AB1 2 GLY B 869  PRO B 870 -1  O  GLY B 869   N  GLY B 866           
SITE     1 AC1  8 ARG B 545  PHE B 547  LYS B 795  GLU B 796                    
SITE     2 AC1  8 VAL B 799  GLU B 841  ARG B 845  GLN B 848                    
CRYST1   60.019   59.370   85.075  99.39  92.29 108.75 P 1           2          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.016661  0.005656  0.001750        0.00000                         
SCALE2      0.000000  0.017788  0.003368        0.00000                         
SCALE3      0.000000  0.000000  0.011973        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system