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Database: PDB
Entry: 3STQ
LinkDB: 3STQ
Original site: 3STQ 
HEADER    TOXIN                                   11-JUL-11   3STQ              
TITLE     HYPOTHETICAL PROTEIN PA2703 PSEUDOMONAS AERUGINOSA PAO1               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN;                          
COMPND   3 CHAIN: A, B, C, D, E, F;                                             
COMPND   4 SYNONYM: TSI2;                                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;                         
SOURCE   3 ORGANISM_TAXID: 287;                                                 
SOURCE   4 GENE: PA2703;                                                        
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: B834(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
KEYWDS    COILED-COIL, TOXIN-ANTITOXIN SYSTEM, TSI2-TSE2, T6SS, TOXIN IMMUNITY, 
KEYWDS   2 TOXIN                                                                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.T.ZOU,M.T.WANG,Q.JIN,S.CUI                                          
REVDAT   2   19-JUN-13 3STQ    1       JRNL                                     
REVDAT   1   08-FEB-12 3STQ    0                                                
JRNL        AUTH   T.T.ZOU,X.YAO,B.QIN,M.ZHANG,L.F.CAI,W.SHANG,D.I.SVERGUN,     
JRNL        AUTH 2 M.T.WANG,S.CUI,Q.JIN                                         
JRNL        TITL   CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA TSI2 REVEALS A   
JRNL        TITL 2 STABLY FOLDED SUPERHELICAL ANTITOXIN                         
JRNL        REF    J.MOL.BIOL.                   V. 417   351 2012              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   22310046                                                     
JRNL        DOI    10.1016/J.JMB.2012.01.040                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.28 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.1_357)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 88.90                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.470                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 34218                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.209                           
REMARK   3   R VALUE            (WORKING SET) : 0.208                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1710                            
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 88.9667 -  5.2277    1.00     2877   150  0.2292 0.2305        
REMARK   3     2  5.2277 -  4.1494    1.00     2760   145  0.1832 0.1996        
REMARK   3     3  4.1494 -  3.6249    1.00     2727   144  0.1897 0.2221        
REMARK   3     4  3.6249 -  3.2934    1.00     2700   142  0.2036 0.2457        
REMARK   3     5  3.2934 -  3.0574    1.00     2719   143  0.2070 0.2677        
REMARK   3     6  3.0574 -  2.8771    1.00     2692   142  0.2167 0.2427        
REMARK   3     7  2.8771 -  2.7330    1.00     2720   143  0.2148 0.2394        
REMARK   3     8  2.7330 -  2.6140    1.00     2670   141  0.2199 0.2664        
REMARK   3     9  2.6140 -  2.5134    1.00     2701   142  0.2180 0.2710        
REMARK   3    10  2.5134 -  2.4266    1.00     2668   140  0.2161 0.2447        
REMARK   3    11  2.4266 -  2.3508    1.00     2701   142  0.2148 0.2933        
REMARK   3    12  2.3508 -  2.2836    0.96     2573   136  0.2235 0.2432        
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              : 0.34                                          
REMARK   3   B_SOL              : 43.37                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.960           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 44.17                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 47.67                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 3.39940                                              
REMARK   3    B22 (A**2) : -0.82930                                             
REMARK   3    B33 (A**2) : -2.57010                                             
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : -0.00000                                             
REMARK   3    B23 (A**2) : -0.00000                                             
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           3984                                  
REMARK   3   ANGLE     :  1.096           5425                                  
REMARK   3   CHIRALITY :  0.071            612                                  
REMARK   3   PLANARITY :  0.006            747                                  
REMARK   3   DIHEDRAL  : 17.061           1524                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 3STQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB066639.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 20-AUG-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 3.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X06DA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9794                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CHANNEL-CUT SI(111)         
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS PACKAGE                        
REMARK 200  DATA SCALING SOFTWARE          : XDS PACKAGE                        
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 34226                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.280                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 88.900                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 3.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 7.730                              
REMARK 200  R MERGE                    (I) : 0.08200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.6900                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.62700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.310                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SHARP                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.27                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM CITRIC ACID, 16%(V/V) MPD, PH      
REMARK 280  3.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X,-Y+1/2,Z                                             
REMARK 290       7555   -X+1/2,Y,-Z                                             
REMARK 290       8555   X,-Y,-Z+1/2                                             
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   SMTRY1   2 -1.000000  0.000000  0.000000       45.94850            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       71.73350            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       56.63250            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       71.73350            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       45.94850            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       56.63250            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       45.94850            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       56.63250            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       71.73350            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       56.63250            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       45.94850            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       71.73350            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2800 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10400 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, E                                  
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2920 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9390 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, F                                  
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: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2820 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10760 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
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   BIOMT1   2 -1.000000  0.000000  0.000000       45.94850            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      143.46700            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2840 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10570 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
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   BIOMT1   2 -1.000000  0.000000  0.000000      137.84550            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      143.46700            
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     MET A   -24                                                      
REMARK 465     GLY A   -23                                                      
REMARK 465     SER A   -22                                                      
REMARK 465     SER A   -21                                                      
REMARK 465     HIS A   -20                                                      
REMARK 465     HIS A   -19                                                      
REMARK 465     HIS A   -18                                                      
REMARK 465     HIS A   -17                                                      
REMARK 465     HIS A   -16                                                      
REMARK 465     HIS A   -15                                                      
REMARK 465     SER A   -14                                                      
REMARK 465     GLN A   -13                                                      
REMARK 465     GLU A    74                                                      
REMARK 465     PRO A    75                                                      
REMARK 465     ALA A    76                                                      
REMARK 465     SER A    77                                                      
REMARK 465     MET B   -24                                                      
REMARK 465     GLY B   -23                                                      
REMARK 465     SER B   -22                                                      
REMARK 465     SER B   -21                                                      
REMARK 465     HIS B   -20                                                      
REMARK 465     HIS B   -19                                                      
REMARK 465     HIS B   -18                                                      
REMARK 465     HIS B   -17                                                      
REMARK 465     HIS B   -16                                                      
REMARK 465     HIS B   -15                                                      
REMARK 465     SER B   -14                                                      
REMARK 465     GLN B   -13                                                      
REMARK 465     GLU B    74                                                      
REMARK 465     PRO B    75                                                      
REMARK 465     ALA B    76                                                      
REMARK 465     SER B    77                                                      
REMARK 465     MET C   -24                                                      
REMARK 465     GLY C   -23                                                      
REMARK 465     SER C   -22                                                      
REMARK 465     SER C   -21                                                      
REMARK 465     HIS C   -20                                                      
REMARK 465     HIS C   -19                                                      
REMARK 465     HIS C   -18                                                      
REMARK 465     HIS C   -17                                                      
REMARK 465     HIS C   -16                                                      
REMARK 465     HIS C   -15                                                      
REMARK 465     SER C   -14                                                      
REMARK 465     GLU C    73                                                      
REMARK 465     GLU C    74                                                      
REMARK 465     PRO C    75                                                      
REMARK 465     ALA C    76                                                      
REMARK 465     SER C    77                                                      
REMARK 465     MET D   -24                                                      
REMARK 465     GLY D   -23                                                      
REMARK 465     SER D   -22                                                      
REMARK 465     SER D   -21                                                      
REMARK 465     HIS D   -20                                                      
REMARK 465     HIS D   -19                                                      
REMARK 465     HIS D   -18                                                      
REMARK 465     HIS D   -17                                                      
REMARK 465     HIS D   -16                                                      
REMARK 465     HIS D   -15                                                      
REMARK 465     SER D   -14                                                      
REMARK 465     GLN D   -13                                                      
REMARK 465     GLU D    74                                                      
REMARK 465     PRO D    75                                                      
REMARK 465     ALA D    76                                                      
REMARK 465     SER D    77                                                      
REMARK 465     MET E   -24                                                      
REMARK 465     GLY E   -23                                                      
REMARK 465     SER E   -22                                                      
REMARK 465     SER E   -21                                                      
REMARK 465     HIS E   -20                                                      
REMARK 465     HIS E   -19                                                      
REMARK 465     HIS E   -18                                                      
REMARK 465     HIS E   -17                                                      
REMARK 465     HIS E   -16                                                      
REMARK 465     HIS E   -15                                                      
REMARK 465     SER E   -14                                                      
REMARK 465     GLN E   -13                                                      
REMARK 465     GLU E    74                                                      
REMARK 465     PRO E    75                                                      
REMARK 465     ALA E    76                                                      
REMARK 465     SER E    77                                                      
REMARK 465     MET F   -24                                                      
REMARK 465     GLY F   -23                                                      
REMARK 465     SER F   -22                                                      
REMARK 465     SER F   -21                                                      
REMARK 465     HIS F   -20                                                      
REMARK 465     HIS F   -19                                                      
REMARK 465     HIS F   -18                                                      
REMARK 465     HIS F   -17                                                      
REMARK 465     HIS F   -16                                                      
REMARK 465     HIS F   -15                                                      
REMARK 465     SER F   -14                                                      
REMARK 465     GLN F   -13                                                      
REMARK 465     ASP F   -12                                                      
REMARK 465     PRO F   -11                                                      
REMARK 465     LEU F   -10                                                      
REMARK 465     GLU F    -9                                                      
REMARK 465     VAL F    -8                                                      
REMARK 465     LEU F    -7                                                      
REMARK 465     PHE F    -6                                                      
REMARK 465     GLN F    -5                                                      
REMARK 465     GLU F    73                                                      
REMARK 465     GLU F    74                                                      
REMARK 465     PRO F    75                                                      
REMARK 465     ALA F    76                                                      
REMARK 465     SER F    77                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH E    83     O    HOH E   124              1.95            
REMARK 500   O    HOH D    83     O    HOH D   103              1.95            
REMARK 500   O    SER F     0     O    HOH F    91              2.03            
REMARK 500   O    HOH E   148     O    HOH E   167              2.04            
REMARK 500   OE1  GLN B    27     O    HOH B    87              2.06            
REMARK 500   O    ASN F     2     O    HOH F   110              2.08            
REMARK 500   OD2  ASP C   -12     O    HOH C   141              2.09            
REMARK 500   OD2  ASP E    45     OE2  GLU F    38              2.10            
REMARK 500   O    GLY C    60     O    HOH C   142              2.12            
REMARK 500   OE1  GLN B    25     O    HOH B   132              2.14            
REMARK 500   N    ASN F     2     O    HOH F    86              2.16            
REMARK 500   NZ   LYS C     4     O    HOH C   154              2.17            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OD2  ASP A    45     OE2  GLU B    38     3645     2.04            
REMARK 500   O    HOH B   128     O    HOH F   105     6655     2.08            
REMARK 500   O    HOH A   127     O    HOH B   130     3645     2.12            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    GLN A  27      107.00    -55.40                                   
REMARK 500    ASN A  28       78.98     69.49                                   
REMARK 500    GLU B  -2       81.46    -67.34                                   
REMARK 500    ARG B  70      -48.20     73.09                                   
REMARK 500    GLU C  21       -2.88    -57.66                                   
REMARK 500    GLN C  25       -8.50    -55.35                                   
REMARK 500    ASN C  28     -155.17    -79.51                                   
REMARK 500    ASP C  29      -87.08   -139.62                                   
REMARK 500    PRO C  31       25.54    -75.84                                   
REMARK 500    GLN C  32      -43.38   -148.92                                   
REMARK 500    PHE D  -6      -63.78    -93.99                                   
REMARK 500    LEU D  26      -76.31   -146.99                                   
REMARK 500    ASN D  28       74.20    130.29                                   
REMARK 500    ASP D  29      178.79     77.54                                   
REMARK 500    ASP D  30      119.04     62.79                                   
REMARK 500    PRO D  31     -101.49   -126.32                                   
REMARK 500    GLN D  32     -127.68     76.07                                   
REMARK 500    ALA D  34      -94.33    133.03                                   
REMARK 500    LEU E -10     -108.06     57.03                                   
REMARK 500    GLU E  -9      -56.22    -14.55                                   
REMARK 500    LEU F  65      115.42     57.79                                   
REMARK 500    ARG F  70        4.24    -69.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  3STQ A    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
DBREF  3STQ B    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
DBREF  3STQ C    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
DBREF  3STQ D    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
DBREF  3STQ E    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
DBREF  3STQ F    1    77  UNP    Q9I0D9   Q9I0D9_PSEAE     1     77             
SEQADV 3STQ MET A  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY A  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER A  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER A  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS A  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER A  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN A  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP A  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO A  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU A  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU A   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL A   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU A   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE A   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN A   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY A   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO A   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU A   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA A   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER A    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ MET B  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY B  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER B  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER B  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS B  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER B  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN B  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP B  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO B  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU B  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU B   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL B   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU B   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE B   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN B   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY B   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO B   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU B   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA B   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER B    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ MET C  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY C  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER C  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER C  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS C  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER C  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN C  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP C  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO C  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU C  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU C   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL C   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU C   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE C   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN C   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY C   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO C   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU C   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA C   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER C    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ MET D  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY D  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER D  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER D  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS D  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER D  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN D  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP D  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO D  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU D  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU D   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL D   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU D   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE D   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN D   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY D   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO D   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU D   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA D   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER D    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ MET E  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY E  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER E  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER E  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS E  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER E  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN E  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP E  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO E  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU E  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU E   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL E   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU E   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE E   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN E   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY E   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO E   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU E   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA E   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER E    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ MET F  -24  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY F  -23  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER F  -22  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER F  -21  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -20  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -19  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -18  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -17  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -16  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ HIS F  -15  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER F  -14  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN F  -13  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ASP F  -12  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO F  -11  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU F  -10  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU F   -9  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ VAL F   -8  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ LEU F   -7  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PHE F   -6  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLN F   -5  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLY F   -4  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ PRO F   -3  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ GLU F   -2  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ ALA F   -1  UNP  Q9I0D9              EXPRESSION TAG                 
SEQADV 3STQ SER F    0  UNP  Q9I0D9              EXPRESSION TAG                 
SEQRES   1 A  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 A  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 A  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 A  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 A  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 A  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 A  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 A  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
SEQRES   1 B  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 B  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 B  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 B  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 B  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 B  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 B  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 B  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
SEQRES   1 C  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 C  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 C  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 C  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 C  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 C  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 C  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 C  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
SEQRES   1 D  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 D  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 D  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 D  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 D  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 D  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 D  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 D  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
SEQRES   1 E  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 E  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 E  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 E  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 E  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 E  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 E  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 E  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
SEQRES   1 F  102  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP          
SEQRES   2 F  102  PRO LEU GLU VAL LEU PHE GLN GLY PRO GLU ALA SER MET          
SEQRES   3 F  102  ASN LEU LYS PRO GLN THR LEU MET VAL ALA ILE GLN CYS          
SEQRES   4 F  102  VAL ALA ALA ARG THR ARG GLU LEU ASP ALA GLN LEU GLN          
SEQRES   5 F  102  ASN ASP ASP PRO GLN ASN ALA ALA GLU LEU GLU GLN LEU          
SEQRES   6 F  102  LEU VAL GLY TYR ASP LEU ALA ALA ASP ASP LEU LYS ASN          
SEQRES   7 F  102  ALA TYR GLU GLN ALA LEU GLY GLN TYR SER GLY LEU PRO          
SEQRES   8 F  102  PRO TYR ASP ARG LEU ILE GLU GLU PRO ALA SER                  
FORMUL   7  HOH   *168(H2 O)                                                    
HELIX    1   1 ASP A  -12  GLY A   -4  1                                   9    
HELIX    2   2 LYS A    4  ALA A   24  1                                  21    
HELIX    3   3 ASP A   30  TYR A   62  1                                  33    
HELIX    4   4 PRO A   67  GLU A   73  1                                   7    
HELIX    5   5 ASP B  -12  GLN B   -5  1                                   8    
HELIX    6   6 LYS B    4  GLN B   27  1                                  24    
HELIX    7   7 ASP B   30  TYR B   62  1                                  33    
HELIX    8   8 ASP C  -12  GLY C   -4  1                                   9    
HELIX    9   9 LYS C    4  ALA C   24  1                                  21    
HELIX   10  10 GLN C   25  ASN C   28  5                                   4    
HELIX   11  11 GLN C   32  ALA C   58  1                                  27    
HELIX   12  12 PRO C   67  ILE C   72  1                                   6    
HELIX   13  13 ASP D  -12  GLY D   -4  1                                   9    
HELIX   14  14 LYS D    4  GLN D   25  1                                  22    
HELIX   15  15 ALA D   34  ALA D   58  1                                  25    
HELIX   16  16 PRO D   67  ILE D   72  1                                   6    
HELIX   17  17 LEU E  -10  GLY E   -4  1                                   7    
HELIX   18  18 LYS E    4  GLN E   27  1                                  24    
HELIX   19  19 ASP E   30  GLY E   60  1                                  31    
HELIX   20  20 PRO E   67  GLU E   73  1                                   7    
HELIX   21  21 LYS F    4  ALA F   24  1                                  21    
HELIX   22  22 ASP F   30  GLY F   60  1                                  31    
HELIX   23  23 TYR F   68  ILE F   72  5                                   5    
SHEET    1   A 2 ALA A  -1  LEU A   3  0                                        
SHEET    2   A 2 ALA E  -1  LEU E   3 -1  O  MET E   1   N  MET A   1           
SHEET    1   B 2 ALA B  -1  LEU B   3  0                                        
SHEET    2   B 2 ALA F  -1  LEU F   3 -1  O  ALA F  -1   N  LEU B   3           
CISPEP   1 ASN C   28    ASP C   29          0         1.62                     
CISPEP   2 ASN D   33    ALA D   34          0         2.37                     
CISPEP   3 PRO E  -11    LEU E  -10          0        -0.28                     
CRYST1   91.897  113.265  143.467  90.00  90.00  90.00 I 21 21 21   48          
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      0.010882  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008829  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006970        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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