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Database: PDB
Entry: 1UEQ
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Original site: 1UEQ 
HEADER    SIGNALING PROTEIN                       20-MAY-03   1UEQ              
TITLE     SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN                   
TITLE    2 ATROPHIN-1 INTERACTING PROTEIN 1 (KIAA0705 PROTEIN)                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2            
COMPND   3 (MAGI-2);                                                            
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: PDZ DOMAIN;                                                
COMPND   6 SYNONYM: KIAA0705 PROTEIN;                                           
COMPND   7 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: KAZUSA CDNA HG03359;                                           
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P021030-27;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    ATROPHIN-1 INTERACTING PROTEIN 1, PDZ DOMAIN, STRUCTURAL              
KEYWDS   2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,           
KEYWDS   3 RSGI, SIGNALING PROTEIN                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    C.ZHAO,T.KIGAWA,N.TOCHIO,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN           
AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
REVDAT   2   24-FEB-09 1UEQ    1       VERSN                                    
REVDAT   1   20-NOV-03 1UEQ    0                                                
JRNL        AUTH   C.ZHAO,T.KIGAWA,N.TOCHIO,S.KOSHIBA,M.INOUE,                  
JRNL        AUTH 2 S.YOKOYAMA                                                   
JRNL        TITL   SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF                
JRNL        TITL 2 HUMAN ATROPHIN-1 INTERACTING PROTEIN 1 (KIAA0705             
JRNL        TITL 3 PROTEIN)                                                     
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : OPALP                                                
REMARK   3   AUTHORS     : R.KORADI,M.BILLETER,P.GUNTERT                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1UEQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-MAY-03.                  
REMARK 100 THE RCSB ID CODE IS RCSB005741.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298.0                              
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 100MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.4MM PDZ DOMAIN U-15N, 13C;       
REMARK 210                                   20MM TRIS-HCL (PH7.0), 100MM       
REMARK 210                                   NACL, 1MM D-DTT, 0.02% NAN3        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.6, NMRPIPE               
REMARK 210                                   20020425, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.811, CYANA 1.0.7          
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   RESTRAINTED MOLECULAR DYNAMICS     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS,              
REMARK 210                                   STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY, TARGET FUNCTION            
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  3 ARG A  11   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500 17 ARG A  11   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.5 DEGREES          
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  1 SER A   6     -172.41   -179.53                                   
REMARK 500  1 PHE A   9     -178.68     53.86                                   
REMARK 500  1 THR A  10     -121.35    -88.36                                   
REMARK 500  1 ARG A  11      -83.32    150.19                                   
REMARK 500  1 ALA A  13      -17.67     59.03                                   
REMARK 500  1 ASN A  29     -158.94     46.56                                   
REMARK 500  1 MET A  30      -76.32     23.19                                   
REMARK 500  1 ASP A  40      -42.77     95.59                                   
REMARK 500  1 ASP A  43       76.35   -175.56                                   
REMARK 500  1 ASP A  54       -2.59     67.76                                   
REMARK 500  1 ASN A  73      -73.47     59.63                                   
REMARK 500  1 GLU A  74       40.51   -157.51                                   
REMARK 500  1 ALA A 116       97.98    141.18                                   
REMARK 500  2 SER A   2     -163.68    -74.63                                   
REMARK 500  2 SER A   6     -123.50    -84.69                                   
REMARK 500  2 LEU A   8      -77.72   -117.44                                   
REMARK 500  2 THR A  10     -112.35    -78.77                                   
REMARK 500  2 ARG A  11      -57.90    147.13                                   
REMARK 500  2 ASP A  12       20.78   -142.76                                   
REMARK 500  2 ALA A  13      -17.35     61.49                                   
REMARK 500  2 ASN A  29      -92.54     49.62                                   
REMARK 500  2 ASP A  40      -65.43   -159.33                                   
REMARK 500  2 PRO A  42       45.22    -83.38                                   
REMARK 500  2 ASP A  43       34.47   -157.21                                   
REMARK 500  2 PRO A  53       46.09    -80.83                                   
REMARK 500  2 ASP A  54       43.65   -160.54                                   
REMARK 500  2 VAL A  70      -61.98   -106.40                                   
REMARK 500  2 ASN A  73      -82.96     47.77                                   
REMARK 500  2 GLU A  74       13.70   -143.45                                   
REMARK 500  2 ASP A 114       92.68     35.29                                   
REMARK 500  2 ALA A 116      -62.92    159.49                                   
REMARK 500  2 ASN A 117      162.52     69.24                                   
REMARK 500  2 SER A 121       81.62    -65.09                                   
REMARK 500  3 SER A   5      112.50     65.90                                   
REMARK 500  3 PHE A   9      165.12     52.71                                   
REMARK 500  3 THR A  10      -99.36    -82.32                                   
REMARK 500  3 ARG A  11      -32.14    117.83                                   
REMARK 500  3 ALA A  13      -20.30     64.30                                   
REMARK 500  3 LEU A  16     -159.66    -70.88                                   
REMARK 500  3 LYS A  17      -84.18    -64.04                                   
REMARK 500  3 ASN A  29      -79.87     60.40                                   
REMARK 500  3 ASP A  40      -41.11   -179.79                                   
REMARK 500  3 ASN A  73      -61.67     69.88                                   
REMARK 500  3 GLU A  74        5.70   -157.71                                   
REMARK 500  3 ALA A 116       87.97    174.50                                   
REMARK 500  3 ASN A 117     -179.49     58.88                                   
REMARK 500  3 SER A 122     -178.48    -68.54                                   
REMARK 500  4 LEU A   8      -80.14   -112.97                                   
REMARK 500  4 THR A  10     -120.39    -88.40                                   
REMARK 500  4 ARG A  11      -47.64    146.77                                   
REMARK 500  4 SER A  28     -127.90   -133.69                                   
REMARK 500  4 ASN A  29      102.61    -55.25                                   
REMARK 500  4 ASP A  40      -50.03   -170.21                                   
REMARK 500  4 PRO A  42       43.81    -75.25                                   
REMARK 500  4 ASP A  43       23.15   -171.00                                   
REMARK 500  4 LYS A  62      -73.70    -85.01                                   
REMARK 500  4 VAL A  70      -60.54    -94.88                                   
REMARK 500  4 ASN A  73      -85.07     53.02                                   
REMARK 500  4 ALA A 116      -74.20   -161.22                                   
REMARK 500  4 ASN A 117       88.76     90.67                                   
REMARK 500  5 SER A   3     -163.94     57.83                                   
REMARK 500  5 THR A  10     -110.84    -74.02                                   
REMARK 500  5 ARG A  11      -51.93    134.61                                   
REMARK 500  5 ALA A  13      -11.95     61.17                                   
REMARK 500  5 LYS A  27      103.58    -58.95                                   
REMARK 500  5 ASN A  29      -73.34     44.05                                   
REMARK 500  5 ASP A  40      -49.27    173.14                                   
REMARK 500  5 ASP A  43        4.55   -166.69                                   
REMARK 500  5 ASN A  73      -89.95     51.22                                   
REMARK 500  5 ASP A 114       76.51   -151.37                                   
REMARK 500  5 ALA A 116      118.05    143.03                                   
REMARK 500  5 ASN A 117       90.31    168.06                                   
REMARK 500  5 SER A 118      132.36     69.15                                   
REMARK 500  6 SER A   2     -135.30     44.33                                   
REMARK 500  6 SER A   5       78.44     42.66                                   
REMARK 500  6 LEU A   8      -72.41   -143.47                                   
REMARK 500  6 THR A  10      -97.97    -74.51                                   
REMARK 500  6 ARG A  11      -34.61    116.67                                   
REMARK 500  6 ASP A  12       18.73   -146.02                                   
REMARK 500  6 ALA A  13      -22.32     62.30                                   
REMARK 500  6 ASP A  40      -46.11   -169.92                                   
REMARK 500  6 ASP A  43       -8.27   -168.88                                   
REMARK 500  6 ASN A  73      -68.86     71.97                                   
REMARK 500  6 GLU A  74       24.77   -156.47                                   
REMARK 500  6 ALA A 116      -27.91    144.44                                   
REMARK 500  6 ASN A 117     -122.24     40.00                                   
REMARK 500  6 SER A 118       51.58     37.01                                   
REMARK 500  6 SER A 121     -176.42     56.99                                   
REMARK 500  7 SER A   3      -55.09   -152.53                                   
REMARK 500  7 SER A   5       88.78     59.90                                   
REMARK 500  7 LEU A   8      -82.74    -96.75                                   
REMARK 500  7 THR A  10     -106.25   -102.31                                   
REMARK 500  7 ARG A  11      -48.60    138.41                                   
REMARK 500  7 ALA A  13      -10.90     58.66                                   
REMARK 500  7 MET A  30       62.80   -116.43                                   
REMARK 500  7 ASP A  40      -37.17     74.10                                   
REMARK 500  7 PRO A  42       41.65    -75.22                                   
REMARK 500  7 ASP A  43       -2.58   -160.55                                   
REMARK 500  7 ASP A  54       -4.85     59.40                                   
REMARK 500  7 ASN A  73      -68.85     68.75                                   
REMARK 500  7 GLU A  74       25.91   -161.45                                   
REMARK 500  7 ASP A 114      103.38   -161.58                                   
REMARK 500  7 ALA A 116       74.53   -177.61                                   
REMARK 500  7 PRO A 120       81.11    -69.24                                   
REMARK 500  7 SER A 121     -159.78    -79.52                                   
REMARK 500  8 LEU A   8      -70.84   -141.84                                   
REMARK 500  8 THR A  10     -113.38    -64.51                                   
REMARK 500  8 ARG A  11      -23.84    140.51                                   
REMARK 500  8 LYS A  27      109.69    -55.55                                   
REMARK 500  8 ASP A  40      -37.91   -162.71                                   
REMARK 500  8 ASP A  43       -9.84   -147.49                                   
REMARK 500  8 ASN A  73      -92.70     50.46                                   
REMARK 500  8 GLU A  74       20.81   -143.17                                   
REMARK 500  8 ALA A 116      -11.37    140.95                                   
REMARK 500  9 SER A   2       85.19     29.06                                   
REMARK 500  9 SER A   6     -172.05     59.18                                   
REMARK 500  9 LEU A   8      -94.73   -102.75                                   
REMARK 500  9 THR A  10     -109.57    -81.76                                   
REMARK 500  9 ARG A  11      -67.39    135.71                                   
REMARK 500  9 ALA A  13      -27.31     73.59                                   
REMARK 500  9 LYS A  27       91.97    -42.95                                   
REMARK 500  9 ASN A  29      -83.52     17.34                                   
REMARK 500  9 ASP A  40      -52.06   -173.82                                   
REMARK 500  9 PRO A  42       48.37    -75.10                                   
REMARK 500  9 ASP A  43       -7.27   -150.80                                   
REMARK 500  9 ASP A  54      -12.95     61.40                                   
REMARK 500  9 ASN A  73      -77.83     59.16                                   
REMARK 500  9 ALA A 116      -76.07   -154.09                                   
REMARK 500  9 ASN A 117       58.02     70.10                                   
REMARK 500  9 SER A 121     -165.78     50.18                                   
REMARK 500  9 SER A 122      -42.03   -157.59                                   
REMARK 500 10 LEU A   8       64.90   -150.77                                   
REMARK 500 10 PHE A   9      170.48     57.67                                   
REMARK 500 10 THR A  10     -119.96    -81.86                                   
REMARK 500 10 ARG A  11      -60.07    145.85                                   
REMARK 500 10 ALA A  13      -14.15     67.01                                   
REMARK 500 10 LYS A  27       99.35    -66.98                                   
REMARK 500 10 MET A  30       66.81   -101.44                                   
REMARK 500 10 ASP A  40      -32.33   -174.68                                   
REMARK 500 10 PRO A  42       43.17    -80.55                                   
REMARK 500 10 ASP A  43       12.49   -166.47                                   
REMARK 500 10 ASP A  54       -0.70     58.99                                   
REMARK 500 10 ASN A  73      -92.63     53.21                                   
REMARK 500 10 ALA A 116      -62.21   -171.62                                   
REMARK 500 10 ASN A 117      157.10     66.27                                   
REMARK 500 11 LEU A   8       85.23     19.87                                   
REMARK 500 11 THR A  10     -143.69    -78.38                                   
REMARK 500 11 ARG A  11      -69.38   -163.02                                   
REMARK 500 11 ALA A  13       -6.20     55.89                                   
REMARK 500 11 SER A  28      -78.58   -129.66                                   
REMARK 500 11 MET A  30      -62.23     63.04                                   
REMARK 500 11 ASP A  40      -58.88    170.27                                   
REMARK 500 11 PRO A  42       43.31    -77.28                                   
REMARK 500 11 ASP A  43       37.45   -172.48                                   
REMARK 500 11 PRO A  53       48.24    -85.85                                   
REMARK 500 11 ASP A  54       57.98   -165.59                                   
REMARK 500 11 ASN A  73      -81.56     65.05                                   
REMARK 500 11 GLU A  74       36.35   -144.74                                   
REMARK 500 11 ALA A 116      -48.13   -165.12                                   
REMARK 500 12 LEU A   8      -83.98   -113.87                                   
REMARK 500 12 THR A  10     -116.70    -73.07                                   
REMARK 500 12 ARG A  11      -76.13    137.92                                   
REMARK 500 12 ALA A  13      -27.74     68.64                                   
REMARK 500 12 SER A  14       17.73    -69.12                                   
REMARK 500 12 SER A  28      -92.69    -89.45                                   
REMARK 500 12 MET A  30      -54.49     58.62                                   
REMARK 500 12 ASP A  40      -43.77   -173.09                                   
REMARK 500 12 PRO A  42       44.83    -75.99                                   
REMARK 500 12 ASP A  54      -27.52     76.43                                   
REMARK 500 12 VAL A  70      -62.26    -92.77                                   
REMARK 500 12 ASN A  73      -78.03     59.48                                   
REMARK 500 12 ASP A 114      113.96   -169.33                                   
REMARK 500 12 ALA A 116       67.95    167.56                                   
REMARK 500 12 ASN A 117      167.93     66.98                                   
REMARK 500 12 SER A 121      115.17   -160.58                                   
REMARK 500 13 SER A   5      -64.44     66.65                                   
REMARK 500 13 THR A  10     -104.46    -85.76                                   
REMARK 500 13 ARG A  11      -51.13    119.32                                   
REMARK 500 13 ALA A  13       -1.43     61.95                                   
REMARK 500 13 ASP A  40      -59.46   -172.39                                   
REMARK 500 13 PRO A  42       48.25    -76.94                                   
REMARK 500 13 ASP A  43       -9.83   -154.46                                   
REMARK 500 13 ASP A  54      -15.31     63.59                                   
REMARK 500 13 LYS A  62      -39.75   -136.19                                   
REMARK 500 13 VAL A  70      -60.08   -103.19                                   
REMARK 500 13 ASN A  73      -61.95     72.36                                   
REMARK 500 13 GLU A  74      -25.55   -149.19                                   
REMARK 500 13 ALA A 116      -44.73   -159.74                                   
REMARK 500 13 ASN A 117      138.84     65.81                                   
REMARK 500 13 SER A 118      113.60   -174.82                                   
REMARK 500 13 SER A 121      -48.45   -152.02                                   
REMARK 500 13 SER A 122      -16.58   -153.68                                   
REMARK 500 14 SER A   5       76.08   -154.90                                   
REMARK 500 14 LEU A   8      -45.55   -130.93                                   
REMARK 500 14 THR A  10     -107.18    -81.54                                   
REMARK 500 14 ARG A  11      -44.72    130.88                                   
REMARK 500 14 ALA A  13       -3.50     57.69                                   
REMARK 500 14 ASN A  29      -77.05     63.42                                   
REMARK 500 14 ASP A  40      -30.12   -165.79                                   
REMARK 500 14 ASP A  43      -34.05   -169.20                                   
REMARK 500 14 ASP A  54       56.41     39.47                                   
REMARK 500 14 ASN A  73      -85.66     64.52                                   
REMARK 500 14 ALA A 116      110.13    163.18                                   
REMARK 500 14 ASN A 117     -134.08   -142.55                                   
REMARK 500 14 SER A 118       89.04   -170.68                                   
REMARK 500 14 SER A 122      127.11    166.46                                   
REMARK 500 15 LEU A   8      -90.94   -103.78                                   
REMARK 500 15 THR A  10     -112.70    -85.43                                   
REMARK 500 15 ARG A  11      -71.64    142.66                                   
REMARK 500 15 ALA A  13      -12.21     71.58                                   
REMARK 500 15 ASP A  40      -28.10   -171.38                                   
REMARK 500 15 PRO A  42       35.66    -70.85                                   
REMARK 500 15 ASP A  43      -15.79   -149.31                                   
REMARK 500 15 ASN A  73      -57.05     63.41                                   
REMARK 500 15 GLU A  74        6.38   -164.42                                   
REMARK 500 15 ASP A 114       73.95   -164.02                                   
REMARK 500 15 ALA A 116      108.18   -165.51                                   
REMARK 500 15 SER A 122     -169.33     59.53                                   
REMARK 500 16 LEU A   8       87.81     39.48                                   
REMARK 500 16 PHE A   9     -148.41     57.98                                   
REMARK 500 16 THR A  10      -98.49   -127.60                                   
REMARK 500 16 ARG A  11      -43.60    121.09                                   
REMARK 500 16 ALA A  13      -24.68     62.72                                   
REMARK 500 16 ASN A  29      -91.00     56.31                                   
REMARK 500 16 ASP A  40      -36.99     80.52                                   
REMARK 500 16 ASP A  43       37.62   -158.24                                   
REMARK 500 16 ASP A  54       10.09     57.61                                   
REMARK 500 16 ASN A  73      -78.70     58.51                                   
REMARK 500 16 GLU A  74       21.97   -150.06                                   
REMARK 500 16 GLU A 113      -74.75    -65.53                                   
REMARK 500 16 ALA A 116       79.88    162.97                                   
REMARK 500 16 SER A 122      177.76     64.32                                   
REMARK 500 17 PHE A   9      172.57     53.10                                   
REMARK 500 17 THR A  10     -118.49    -77.59                                   
REMARK 500 17 ARG A  11      -23.11    135.73                                   
REMARK 500 17 ASP A  12       15.57   -142.14                                   
REMARK 500 17 ALA A  13       -6.01     60.50                                   
REMARK 500 17 ASN A  29      -91.72     46.50                                   
REMARK 500 17 ASP A  40      -34.09    175.44                                   
REMARK 500 17 PRO A  42       47.40    -77.53                                   
REMARK 500 17 ASP A  43       16.01   -164.58                                   
REMARK 500 17 ASN A  73      -73.04     64.23                                   
REMARK 500 17 GLU A  74      -10.73   -147.51                                   
REMARK 500 17 ASP A 114      175.50     66.01                                   
REMARK 500 17 ALA A 116      -92.62    154.88                                   
REMARK 500 17 ASN A 117      158.17     66.61                                   
REMARK 500 18 LEU A   8      -63.37   -142.52                                   
REMARK 500 18 THR A  10     -117.91    -73.31                                   
REMARK 500 18 ARG A  11      -16.23    134.06                                   
REMARK 500 18 ASP A  12       13.21   -145.45                                   
REMARK 500 18 ALA A  13        4.60     59.62                                   
REMARK 500 18 ASN A  29      -71.35   -159.97                                   
REMARK 500 18 ASP A  40      -45.55   -173.23                                   
REMARK 500 18 ASP A  43       -2.09   -140.18                                   
REMARK 500 18 PRO A  53       28.20    -76.25                                   
REMARK 500 18 ASP A  54      -10.23   -152.85                                   
REMARK 500 18 ASN A  73      -81.43     67.08                                   
REMARK 500 18 GLU A  74       20.02   -152.16                                   
REMARK 500 18 SER A  91       39.56    -96.22                                   
REMARK 500 18 GLU A 113      -73.34    -59.79                                   
REMARK 500 18 ALA A 116      -28.77   -161.58                                   
REMARK 500 18 ASN A 117     -153.62     48.07                                   
REMARK 500 18 SER A 118     -178.49     57.43                                   
REMARK 500 19 LEU A   8       83.23     45.94                                   
REMARK 500 19 PHE A   9     -150.62     58.76                                   
REMARK 500 19 THR A  10     -107.06   -118.53                                   
REMARK 500 19 ARG A  11      -70.95    131.42                                   
REMARK 500 19 ALA A  13      -11.71     79.52                                   
REMARK 500 19 ASN A  29      -82.07   -151.36                                   
REMARK 500 19 ASP A  40      -62.80    178.49                                   
REMARK 500 19 ASP A  43       -4.69   -156.45                                   
REMARK 500 19 LYS A  62      -58.90   -126.04                                   
REMARK 500 19 ASN A  73      -53.04     67.21                                   
REMARK 500 19 GLU A  74        6.54   -164.22                                   
REMARK 500 19 SER A  91       27.26    -75.31                                   
REMARK 500 19 ASP A 114       77.14   -151.74                                   
REMARK 500 19 ALA A 116      -58.63   -166.29                                   
REMARK 500 19 ASN A 117      179.29     51.16                                   
REMARK 500 20 SER A   6      -91.67   -133.66                                   
REMARK 500 20 THR A  10     -121.67    -78.20                                   
REMARK 500 20 ARG A  11      -74.04    160.97                                   
REMARK 500 20 ALA A  13      -23.87     70.24                                   
REMARK 500 20 ASP A  40      -15.74   -177.16                                   
REMARK 500 20 PRO A  42       51.35    -64.42                                   
REMARK 500 20 ASP A  43       13.43   -158.43                                   
REMARK 500 20 ASP A  54      -18.31     60.09                                   
REMARK 500 20 VAL A  70      -54.28   -122.33                                   
REMARK 500 20 ASN A  73      -93.11     44.86                                   
REMARK 500 20 HIS A  80     -158.86    -93.83                                   
REMARK 500 20 PRO A 107     -178.42    -67.53                                   
REMARK 500 20 ALA A 116       60.02   -165.28                                   
REMARK 500 20 ASN A 117      136.18     81.20                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLY A   38     GLY A   39          2       142.33                    
REMARK 500 SER A    6     GLY A    7         10      -148.90                    
REMARK 500 THR A   10     ARG A   11         11       147.57                    
REMARK 500 MET A   30     GLY A   31         12      -148.92                    
REMARK 500 SER A  122     GLY A  123         12       146.80                    
REMARK 500 ARG A  104     GLY A  105         14       149.43                    
REMARK 500 SER A  122     GLY A  123         16       142.29                    
REMARK 500 MET A   30     GLY A   31         17      -148.45                    
REMARK 500 PRO A   42     ASP A   43         18       146.17                    
REMARK 500 SER A  122     GLY A  123         20       119.98                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A 104         0.09    SIDE_CHAIN                              
REMARK 500  2 TYR A 106         0.10    SIDE_CHAIN                              
REMARK 500  4 PHE A  45         0.08    SIDE_CHAIN                              
REMARK 500  4 TYR A 106         0.09    SIDE_CHAIN                              
REMARK 500  5 TYR A 106         0.07    SIDE_CHAIN                              
REMARK 500 10 ARG A 104         0.08    SIDE_CHAIN                              
REMARK 500 11 ARG A  11         0.09    SIDE_CHAIN                              
REMARK 500 12 TYR A  71         0.07    SIDE_CHAIN                              
REMARK 500 12 ARG A 104         0.12    SIDE_CHAIN                              
REMARK 500 17 TYR A 106         0.09    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSK002000688.2   RELATED DB: TARGETDB                    
DBREF  1UEQ A    8   118  UNP    Q86UL8   AIP1_HUMAN     454    564             
SEQADV 1UEQ GLY A    1  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A    2  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A    3  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ GLY A    4  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A    5  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A    6  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ GLY A    7  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ GLY A  119  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ PRO A  120  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A  121  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ SER A  122  UNP  Q86UL8              CLONING ARTIFACT               
SEQADV 1UEQ GLY A  123  UNP  Q86UL8              CLONING ARTIFACT               
SEQRES   1 A  123  GLY SER SER GLY SER SER GLY LEU PHE THR ARG ASP ALA          
SEQRES   2 A  123  SER GLN LEU LYS GLY THR PHE LEU SER THR THR LEU LYS          
SEQRES   3 A  123  LYS SER ASN MET GLY PHE GLY PHE THR ILE ILE GLY GLY          
SEQRES   4 A  123  ASP GLU PRO ASP GLU PHE LEU GLN VAL LYS SER VAL ILE          
SEQRES   5 A  123  PRO ASP GLY PRO ALA ALA GLN ASP GLY LYS MET GLU THR          
SEQRES   6 A  123  GLY ASP VAL ILE VAL TYR ILE ASN GLU VAL CYS VAL LEU          
SEQRES   7 A  123  GLY HIS THR HIS ALA ASP VAL VAL LYS LEU PHE GLN SER          
SEQRES   8 A  123  VAL PRO ILE GLY GLN SER VAL ASN LEU VAL LEU CYS ARG          
SEQRES   9 A  123  GLY TYR PRO LEU PRO PHE ASP PRO GLU ASP PRO ALA ASN          
SEQRES  10 A  123  SER GLY PRO SER SER GLY                                      
HELIX    1   1 PRO A   56  GLN A   59  1                                   4    
HELIX    2   2 HIS A   82  GLN A   90  1                                   9    
SHEET    1   A 6 GLY A  18  LYS A  26  0                                        
SHEET    2   A 6 PHE A  34  ILE A  37  0                                        
SHEET    3   A 6 GLN A  47  VAL A  51 -1  O  SER A  50   N  THR A  35           
SHEET    4   A 6 VAL A  68  ILE A  72 -1  N  TYR A  71   O  VAL A 101           
SHEET    5   A 6 VAL A  75  CYS A  76 -1  O  VAL A  75   N  ILE A  72           
SHEET    6   A 6 SER A  97  ARG A 104 -1  O  LEU A 102   N  LEU A  21           
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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