HEADER RECOMBINATION/DNA 03-MAY-18 6DBV
TITLE CRYO-EM STRUCTURE OF RAG IN COMPLEX WITH 12-RSS AND 23-RSS SUBSTRATE
TITLE 2 DNAS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RECOMBINATION ACTIVATING GENE 1 - MBP CHIMERA;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: MBP,MMBP,MALTODEXTRIN-BINDING PROTEIN,RAG-1;
COMPND 5 EC: 2.3.2.27;
COMPND 6 ENGINEERED: YES;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: RECOMBINATION ACTIVATING GENE 2;
COMPND 9 CHAIN: B, D;
COMPND 10 SYNONYM: V(D)J RECOMBINATION-ACTIVATING PROTEIN 2;
COMPND 11 ENGINEERED: YES;
COMPND 12 MOL_ID: 3;
COMPND 13 MOLECULE: RECOMBINATION ACTIVATING GENE 1 - MBP CHIMERA;
COMPND 14 CHAIN: C;
COMPND 15 SYNONYM: MBP,MMBP,MALTODEXTRIN-BINDING PROTEIN;
COMPND 16 EC: 2.3.2.27;
COMPND 17 ENGINEERED: YES;
COMPND 18 MOL_ID: 4;
COMPND 19 MOLECULE: FORWARD STRAND OF 12-RSS SUBSTRATE DNA;
COMPND 20 CHAIN: E;
COMPND 21 ENGINEERED: YES;
COMPND 22 MOL_ID: 5;
COMPND 23 MOLECULE: REVERSE STRAND OF 12-RSS SUBSTRATE DNA;
COMPND 24 CHAIN: F;
COMPND 25 ENGINEERED: YES;
COMPND 26 MOL_ID: 6;
COMPND 27 MOLECULE: FORWARD STRAND OF 23-RSS SUBSTRATE DNA;
COMPND 28 CHAIN: G;
COMPND 29 ENGINEERED: YES;
COMPND 30 MOL_ID: 7;
COMPND 31 MOLECULE: REVERSE STRAND OF 23-RSS SUBSTRATE DNA;
COMPND 32 CHAIN: H;
COMPND 33 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, DANIO RERIO;
SOURCE 3 ORGANISM_COMMON: ZEBRAFISH;
SOURCE 4 ORGANISM_TAXID: 83333, 7955;
SOURCE 5 STRAIN: K12;
SOURCE 6 GENE: MALE, B4034, JW3994, RAG1;
SOURCE 7 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 7108;
SOURCE 9 MOL_ID: 2;
SOURCE 10 ORGANISM_SCIENTIFIC: DANIO RERIO;
SOURCE 11 ORGANISM_COMMON: ZEBRAFISH;
SOURCE 12 ORGANISM_TAXID: 7955;
SOURCE 13 GENE: RAG2;
SOURCE 14 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 15 EXPRESSION_SYSTEM_TAXID: 7108;
SOURCE 16 MOL_ID: 3;
SOURCE 17 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, DANIO RERIO;
SOURCE 18 ORGANISM_COMMON: ZEBRAFISH;
SOURCE 19 ORGANISM_TAXID: 83333, 7955;
SOURCE 20 STRAIN: K12;
SOURCE 21 GENE: MALE, B4034, JW3994, RAG1;
SOURCE 22 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 23 EXPRESSION_SYSTEM_TAXID: 7108;
SOURCE 24 MOL_ID: 4;
SOURCE 25 SYNTHETIC: YES;
SOURCE 26 ORGANISM_SCIENTIFIC: DANIO RERIO;
SOURCE 27 ORGANISM_TAXID: 7955;
SOURCE 28 MOL_ID: 5;
SOURCE 29 SYNTHETIC: YES;
SOURCE 30 ORGANISM_SCIENTIFIC: DANIO RERIO;
SOURCE 31 ORGANISM_TAXID: 7955;
SOURCE 32 MOL_ID: 6;
SOURCE 33 SYNTHETIC: YES;
SOURCE 34 ORGANISM_SCIENTIFIC: DANIO RERIO;
SOURCE 35 ORGANISM_TAXID: 7955;
SOURCE 36 MOL_ID: 7;
SOURCE 37 SYNTHETIC: YES;
SOURCE 38 ORGANISM_SCIENTIFIC: DANIO RERIO;
SOURCE 39 ORGANISM_TAXID: 7955
KEYWDS V(D)J RECOMBINATION, RAG COMPLEX, MELTED RSS, UNMELTED RSS,
KEYWDS 2 RECOMBINATION-DNA COMPLEX
EXPDTA ELECTRON MICROSCOPY
AUTHOR H.WU,M.LIAO,H.RU,W.MI
REVDAT 3 18-DEC-19 6DBV 1 CRYST1 SCALE
REVDAT 2 15-AUG-18 6DBV 1 JRNL
REVDAT 1 01-AUG-18 6DBV 0
JRNL AUTH H.RU,W.MI,P.ZHANG,F.W.ALT,D.G.SCHATZ,M.LIAO,H.WU
JRNL TITL DNA MELTING INITIATES THE RAG CATALYTIC PATHWAY.
JRNL REF NAT. STRUCT. MOL. BIOL. V. 25 732 2018
JRNL REFN ESSN 1545-9985
JRNL PMID 30061602
JRNL DOI 10.1038/S41594-018-0098-5
REMARK 2
REMARK 2 RESOLUTION. 4.29 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 SOFTWARE PACKAGES : NULL
REMARK 3 RECONSTRUCTION SCHEMA : NULL
REMARK 3
REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT
REMARK 3 PDB ENTRY : NULL
REMARK 3 REFINEMENT SPACE : NULL
REMARK 3 REFINEMENT PROTOCOL : NULL
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL
REMARK 3
REMARK 3 FITTING PROCEDURE : NULL
REMARK 3
REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS
REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 4.290
REMARK 3 NUMBER OF PARTICLES : 45159
REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE
REMARK 3 CORRECTION
REMARK 3
REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL
REMARK 3
REMARK 3 OTHER DETAILS: NULL
REMARK 4
REMARK 4 6DBV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-MAY-18.
REMARK 100 THE DEPOSITION ID IS D_1000234341.
REMARK 245
REMARK 245 EXPERIMENTAL DETAILS
REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE
REMARK 245 SPECIMEN TYPE : NULL
REMARK 245
REMARK 245 ELECTRON MICROSCOPE SAMPLE
REMARK 245 SAMPLE TYPE : PARTICLE
REMARK 245 PARTICLE TYPE : POINT
REMARK 245 NAME OF SAMPLE : RAG IN COMPLEX WITH 12-RSS AND
REMARK 245 23-RSS SUBSTRATE DNAS
REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL
REMARK 245 SAMPLE SUPPORT DETAILS : NULL
REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL
REMARK 245 SAMPLE BUFFER : NULL
REMARK 245 PH : 7.50
REMARK 245 SAMPLE DETAILS : NULL
REMARK 245
REMARK 245 DATA ACQUISITION
REMARK 245 DATE OF EXPERIMENT : NULL
REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL
REMARK 245 TEMPERATURE (KELVIN) : NULL
REMARK 245 MICROSCOPE MODEL : FEI POLARA 300
REMARK 245 DETECTOR TYPE : GATAN K2 SUMMIT (4K X 4K)
REMARK 245 MINIMUM DEFOCUS (NM) : NULL
REMARK 245 MAXIMUM DEFOCUS (NM) : NULL
REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 NOMINAL CS : NULL
REMARK 245 IMAGING MODE : BRIGHT FIELD
REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 47.00
REMARK 245 ILLUMINATION MODE : FLOOD BEAM
REMARK 245 NOMINAL MAGNIFICATION : NULL
REMARK 245 CALIBRATED MAGNIFICATION : NULL
REMARK 245 SOURCE : FIELD EMISSION GUN
REMARK 245 ACCELERATION VOLTAGE (KV) : 300
REMARK 245 IMAGING DETAILS : NULL
REMARK 247
REMARK 247 ELECTRON MICROSCOPY
REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON
REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE
REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES
REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION
REMARK 247 OF THE STRUCTURE FACTORS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
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: OCTAMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET A -127
REMARK 465 GLY A -126
REMARK 465 SER A -125
REMARK 465 SER A -124
REMARK 465 HIS A -123
REMARK 465 HIS A -122
REMARK 465 HIS A -121
REMARK 465 HIS A -120
REMARK 465 HIS A -119
REMARK 465 HIS A -118
REMARK 465 GLY A -117
REMARK 465 THR A -116
REMARK 465 LYS A -115
REMARK 465 THR A -114
REMARK 465 GLU A -113
REMARK 465 GLU A -112
REMARK 465 GLY A -111
REMARK 465 LYS A -110
REMARK 465 LEU A -109
REMARK 465 VAL A -108
REMARK 465 ILE A -107
REMARK 465 TRP A -106
REMARK 465 ILE A -105
REMARK 465 ASN A -104
REMARK 465 GLY A -103
REMARK 465 ASP A -102
REMARK 465 LYS A -101
REMARK 465 GLY A -100
REMARK 465 TYR A -99
REMARK 465 ASN A -98
REMARK 465 GLY A -97
REMARK 465 LEU A -96
REMARK 465 ALA A -95
REMARK 465 GLU A -94
REMARK 465 VAL A -93
REMARK 465 GLY A -92
REMARK 465 LYS A -91
REMARK 465 LYS A -90
REMARK 465 PHE A -89
REMARK 465 GLU A -88
REMARK 465 LYS A -87
REMARK 465 ASP A -86
REMARK 465 THR A -85
REMARK 465 GLY A -84
REMARK 465 ILE A -83
REMARK 465 LYS A -82
REMARK 465 VAL A -81
REMARK 465 THR A -80
REMARK 465 VAL A -79
REMARK 465 GLU A -78
REMARK 465 HIS A -77
REMARK 465 PRO A -76
REMARK 465 ASP A -75
REMARK 465 LYS A -74
REMARK 465 LEU A -73
REMARK 465 GLU A -72
REMARK 465 GLU A -71
REMARK 465 LYS A -70
REMARK 465 PHE A -69
REMARK 465 PRO A -68
REMARK 465 GLN A -67
REMARK 465 VAL A -66
REMARK 465 ALA A -65
REMARK 465 ALA A -64
REMARK 465 THR A -63
REMARK 465 GLY A -62
REMARK 465 ASP A -61
REMARK 465 GLY A -60
REMARK 465 PRO A -59
REMARK 465 ASP A -58
REMARK 465 ILE A -57
REMARK 465 ILE A -56
REMARK 465 PHE A -55
REMARK 465 TRP A -54
REMARK 465 ALA A -53
REMARK 465 HIS A -52
REMARK 465 ASP A -51
REMARK 465 ARG A -50
REMARK 465 PHE A -49
REMARK 465 GLY A -48
REMARK 465 GLY A -47
REMARK 465 TYR A -46
REMARK 465 ALA A -45
REMARK 465 GLN A -44
REMARK 465 SER A -43
REMARK 465 GLY A -42
REMARK 465 LEU A -41
REMARK 465 LEU A -40
REMARK 465 ALA A -39
REMARK 465 GLU A -38
REMARK 465 ILE A -37
REMARK 465 THR A -36
REMARK 465 PRO A -35
REMARK 465 ASP A -34
REMARK 465 LYS A -33
REMARK 465 ALA A -32
REMARK 465 PHE A -31
REMARK 465 GLN A -30
REMARK 465 ASP A -29
REMARK 465 LYS A -28
REMARK 465 LEU A -27
REMARK 465 TYR A -26
REMARK 465 PRO A -25
REMARK 465 PHE A -24
REMARK 465 THR A -23
REMARK 465 TRP A -22
REMARK 465 ASP A -21
REMARK 465 ALA A -20
REMARK 465 VAL A -19
REMARK 465 ARG A -18
REMARK 465 TYR A -17
REMARK 465 ASN A -16
REMARK 465 GLY A -15
REMARK 465 LYS A -14
REMARK 465 LEU A -13
REMARK 465 ILE A -12
REMARK 465 ALA A -11
REMARK 465 TYR A -10
REMARK 465 PRO A -9
REMARK 465 ILE A -8
REMARK 465 ALA A -7
REMARK 465 VAL A -6
REMARK 465 GLU A -5
REMARK 465 ALA A -4
REMARK 465 LEU A -3
REMARK 465 SER A -2
REMARK 465 LEU A -1
REMARK 465 ILE A 0
REMARK 465 TYR A 1
REMARK 465 ASN A 2
REMARK 465 LYS A 3
REMARK 465 ASP A 4
REMARK 465 LEU A 5
REMARK 465 LEU A 6
REMARK 465 PRO A 7
REMARK 465 ASN A 8
REMARK 465 PRO A 9
REMARK 465 PRO A 10
REMARK 465 LYS A 11
REMARK 465 THR A 12
REMARK 465 TRP A 13
REMARK 465 GLU A 14
REMARK 465 GLU A 15
REMARK 465 ILE A 16
REMARK 465 PRO A 17
REMARK 465 ALA A 18
REMARK 465 LEU A 19
REMARK 465 ASP A 20
REMARK 465 LYS A 21
REMARK 465 GLU A 22
REMARK 465 LEU A 23
REMARK 465 LYS A 24
REMARK 465 ALA A 25
REMARK 465 LYS A 26
REMARK 465 GLY A 27
REMARK 465 LYS A 28
REMARK 465 SER A 29
REMARK 465 ALA A 30
REMARK 465 LEU A 31
REMARK 465 MET A 32
REMARK 465 PHE A 33
REMARK 465 ASN A 34
REMARK 465 LEU A 35
REMARK 465 GLN A 36
REMARK 465 GLU A 37
REMARK 465 PRO A 38
REMARK 465 TYR A 39
REMARK 465 PHE A 40
REMARK 465 THR A 41
REMARK 465 TRP A 42
REMARK 465 PRO A 43
REMARK 465 LEU A 44
REMARK 465 ILE A 45
REMARK 465 ALA A 46
REMARK 465 ALA A 47
REMARK 465 ASP A 48
REMARK 465 GLY A 49
REMARK 465 GLY A 50
REMARK 465 TYR A 51
REMARK 465 ALA A 52
REMARK 465 PHE A 53
REMARK 465 LYS A 54
REMARK 465 TYR A 55
REMARK 465 GLU A 56
REMARK 465 ASN A 57
REMARK 465 GLY A 58
REMARK 465 LYS A 59
REMARK 465 TYR A 60
REMARK 465 ASP A 61
REMARK 465 ILE A 62
REMARK 465 LYS A 63
REMARK 465 ASP A 64
REMARK 465 VAL A 65
REMARK 465 GLY A 66
REMARK 465 VAL A 67
REMARK 465 ASP A 68
REMARK 465 ASN A 69
REMARK 465 ALA A 70
REMARK 465 GLY A 71
REMARK 465 ALA A 72
REMARK 465 LYS A 73
REMARK 465 ALA A 74
REMARK 465 GLY A 75
REMARK 465 LEU A 76
REMARK 465 THR A 77
REMARK 465 PHE A 78
REMARK 465 LEU A 79
REMARK 465 VAL A 80
REMARK 465 ASP A 81
REMARK 465 LEU A 82
REMARK 465 ILE A 83
REMARK 465 LYS A 84
REMARK 465 ASN A 85
REMARK 465 LYS A 86
REMARK 465 HIS A 87
REMARK 465 MET A 88
REMARK 465 ASN A 89
REMARK 465 ALA A 90
REMARK 465 ASP A 91
REMARK 465 THR A 92
REMARK 465 ASP A 93
REMARK 465 TYR A 94
REMARK 465 SER A 95
REMARK 465 ILE A 96
REMARK 465 ALA A 97
REMARK 465 GLU A 98
REMARK 465 ALA A 99
REMARK 465 ALA A 100
REMARK 465 PHE A 101
REMARK 465 ASN A 102
REMARK 465 LYS A 103
REMARK 465 GLY A 104
REMARK 465 GLU A 105
REMARK 465 THR A 106
REMARK 465 ALA A 107
REMARK 465 MET A 108
REMARK 465 THR A 109
REMARK 465 ILE A 110
REMARK 465 ASN A 111
REMARK 465 GLY A 112
REMARK 465 PRO A 113
REMARK 465 TRP A 114
REMARK 465 ALA A 115
REMARK 465 TRP A 116
REMARK 465 SER A 117
REMARK 465 ASN A 118
REMARK 465 ILE A 119
REMARK 465 ASP A 120
REMARK 465 THR A 121
REMARK 465 SER A 122
REMARK 465 LYS A 123
REMARK 465 VAL A 124
REMARK 465 ASN A 125
REMARK 465 TYR A 126
REMARK 465 GLY A 127
REMARK 465 VAL A 128
REMARK 465 THR A 129
REMARK 465 VAL A 130
REMARK 465 LEU A 131
REMARK 465 PRO A 132
REMARK 465 THR A 133
REMARK 465 PHE A 134
REMARK 465 LYS A 135
REMARK 465 GLY A 136
REMARK 465 GLN A 137
REMARK 465 PRO A 138
REMARK 465 SER A 139
REMARK 465 LYS A 140
REMARK 465 PRO A 141
REMARK 465 PHE A 142
REMARK 465 VAL A 143
REMARK 465 GLY A 144
REMARK 465 VAL A 145
REMARK 465 LEU A 146
REMARK 465 SER A 147
REMARK 465 ALA A 148
REMARK 465 GLY A 149
REMARK 465 ILE A 150
REMARK 465 ASN A 151
REMARK 465 ALA A 152
REMARK 465 ALA A 153
REMARK 465 SER A 154
REMARK 465 PRO A 155
REMARK 465 ASN A 156
REMARK 465 LYS A 157
REMARK 465 GLU A 158
REMARK 465 LEU A 159
REMARK 465 ALA A 160
REMARK 465 LYS A 161
REMARK 465 GLU A 162
REMARK 465 PHE A 163
REMARK 465 LEU A 164
REMARK 465 GLU A 165
REMARK 465 ASN A 166
REMARK 465 TYR A 167
REMARK 465 LEU A 168
REMARK 465 LEU A 169
REMARK 465 THR A 170
REMARK 465 ASP A 171
REMARK 465 GLU A 172
REMARK 465 GLY A 173
REMARK 465 LEU A 174
REMARK 465 GLU A 175
REMARK 465 ALA A 176
REMARK 465 VAL A 177
REMARK 465 ASN A 178
REMARK 465 LYS A 179
REMARK 465 ASP A 180
REMARK 465 LYS A 181
REMARK 465 PRO A 182
REMARK 465 LEU A 183
REMARK 465 GLY A 184
REMARK 465 ALA A 185
REMARK 465 VAL A 186
REMARK 465 ALA A 187
REMARK 465 LEU A 188
REMARK 465 LYS A 189
REMARK 465 SER A 190
REMARK 465 TYR A 191
REMARK 465 GLU A 192
REMARK 465 GLU A 193
REMARK 465 GLU A 194
REMARK 465 LEU A 195
REMARK 465 ALA A 196
REMARK 465 LYS A 197
REMARK 465 ASP A 198
REMARK 465 PRO A 199
REMARK 465 ARG A 200
REMARK 465 ILE A 201
REMARK 465 ALA A 202
REMARK 465 ALA A 203
REMARK 465 THR A 204
REMARK 465 MET A 205
REMARK 465 GLU A 206
REMARK 465 ASN A 207
REMARK 465 ALA A 208
REMARK 465 GLN A 209
REMARK 465 LYS A 210
REMARK 465 GLY A 211
REMARK 465 GLU A 212
REMARK 465 ILE A 213
REMARK 465 MET A 214
REMARK 465 PRO A 215
REMARK 465 ASN A 216
REMARK 465 ILE A 217
REMARK 465 PRO A 218
REMARK 465 GLN A 219
REMARK 465 MET A 220
REMARK 465 SER A 221
REMARK 465 ALA A 222
REMARK 465 PHE A 223
REMARK 465 TRP A 224
REMARK 465 TYR A 225
REMARK 465 ALA A 226
REMARK 465 VAL A 227
REMARK 465 ARG A 228
REMARK 465 THR A 229
REMARK 465 ALA A 230
REMARK 465 VAL A 231
REMARK 465 ILE A 232
REMARK 465 ASN A 233
REMARK 465 ALA A 234
REMARK 465 ALA A 235
REMARK 465 SER A 236
REMARK 465 GLY A 237
REMARK 465 ARG A 238
REMARK 465 GLN A 239
REMARK 465 THR A 240
REMARK 465 VAL A 241
REMARK 465 ASP A 242
REMARK 465 GLU A 243
REMARK 465 ALA A 244
REMARK 465 LEU A 245
REMARK 465 LYS A 246
REMARK 465 ASP A 247
REMARK 465 ALA A 248
REMARK 465 GLN A 249
REMARK 465 THR A 250
REMARK 465 GLY A 251
REMARK 465 THR A 252
REMARK 465 ASP A 253
REMARK 465 TYR A 254
REMARK 465 ASP A 255
REMARK 465 ILE A 256
REMARK 465 PRO A 257
REMARK 465 THR A 258
REMARK 465 THR A 259
REMARK 465 LEU A 260
REMARK 465 GLU A 261
REMARK 465 VAL A 262
REMARK 465 LEU A 263
REMARK 465 PHE A 264
REMARK 465 GLN A 265
REMARK 465 GLY A 266
REMARK 465 PRO A 267
REMARK 465 LEU A 268
REMARK 465 GLY A 269
REMARK 465 SER A 270
REMARK 465 ARG A 271
REMARK 465 CYS A 272
REMARK 465 GLN A 273
REMARK 465 ARG A 274
REMARK 465 ASP A 275
REMARK 465 HIS A 276
REMARK 465 LEU A 277
REMARK 465 SER A 278
REMARK 465 THR A 279
REMARK 465 LYS A 280
REMARK 465 LEU A 281
REMARK 465 ILE A 282
REMARK 465 PRO A 283
REMARK 465 THR A 284
REMARK 465 GLU A 285
REMARK 465 VAL A 286
REMARK 465 PRO A 287
REMARK 465 ALA A 288
REMARK 465 ASP A 289
REMARK 465 LEU A 290
REMARK 465 ILE A 291
REMARK 465 ARG A 292
REMARK 465 ALA A 293
REMARK 465 VAL A 294
REMARK 465 THR A 295
REMARK 465 CYS A 296
REMARK 465 GLN A 297
REMARK 465 VAL A 298
REMARK 465 CYS A 299
REMARK 465 ASP A 300
REMARK 465 HIS A 301
REMARK 465 LEU A 302
REMARK 465 LEU A 303
REMARK 465 SER A 304
REMARK 465 ASP A 305
REMARK 465 PRO A 306
REMARK 465 VAL A 307
REMARK 465 GLN A 308
REMARK 465 SER A 309
REMARK 465 PRO A 310
REMARK 465 CYS A 311
REMARK 465 ARG A 312
REMARK 465 HIS A 313
REMARK 465 LEU A 314
REMARK 465 PHE A 315
REMARK 465 CYS A 316
REMARK 465 ARG A 317
REMARK 465 LEU A 318
REMARK 465 CYS A 319
REMARK 465 ILE A 320
REMARK 465 ILE A 321
REMARK 465 ARG A 322
REMARK 465 TYR A 323
REMARK 465 THR A 324
REMARK 465 HIS A 325
REMARK 465 ALA A 326
REMARK 465 LEU A 327
REMARK 465 GLY A 328
REMARK 465 PRO A 329
REMARK 465 ASN A 330
REMARK 465 CYS A 331
REMARK 465 PRO A 332
REMARK 465 THR A 333
REMARK 465 CYS A 334
REMARK 465 ASN A 335
REMARK 465 GLN A 336
REMARK 465 HIS A 337
REMARK 465 LEU A 338
REMARK 465 ASN A 339
REMARK 465 PRO A 340
REMARK 465 SER A 341
REMARK 465 HIS A 342
REMARK 465 LEU A 343
REMARK 465 ILE A 344
REMARK 465 LYS A 345
REMARK 465 PRO A 346
REMARK 465 ALA A 347
REMARK 465 LYS A 348
REMARK 465 PHE A 349
REMARK 465 PHE A 350
REMARK 465 LEU A 351
REMARK 465 ALA A 352
REMARK 465 THR A 353
REMARK 465 LEU A 354
REMARK 465 SER A 355
REMARK 465 SER A 356
REMARK 465 LEU A 357
REMARK 465 PRO A 358
REMARK 465 LEU A 359
REMARK 465 LEU A 360
REMARK 465 CYS A 361
REMARK 465 PRO A 362
REMARK 465 SER A 363
REMARK 465 GLU A 364
REMARK 465 GLU A 365
REMARK 465 CYS A 366
REMARK 465 SER A 367
REMARK 465 ASP A 368
REMARK 465 TRP A 369
REMARK 465 VAL A 370
REMARK 465 ARG A 371
REMARK 465 LEU A 372
REMARK 465 ASP A 373
REMARK 465 SER A 374
REMARK 465 PHE A 375
REMARK 465 ARG A 376
REMARK 465 GLU A 377
REMARK 465 HIS A 378
REMARK 465 CYS A 379
REMARK 465 LEU A 380
REMARK 465 ASN A 381
REMARK 465 HIS A 382
REMARK 465 TYR A 383
REMARK 465 ARG A 384
REMARK 465 GLU A 385
REMARK 465 LYS A 386
REMARK 465 GLU A 387
REMARK 465 SER A 388
REMARK 465 GLN A 389
REMARK 465 GLU A 390
REMARK 465 GLU A 391
REMARK 465 GLN A 392
REMARK 465 THR A 393
REMARK 465 PRO A 394
REMARK 465 SER A 395
REMARK 465 GLU A 396
REMARK 465 GLN A 397
REMARK 465 ASN A 398
REMARK 465 LEU A 399
REMARK 465 ASP A 400
REMARK 465 GLY A 401
REMARK 465 TYR A 402
REMARK 465 LEU A 403
REMARK 465 PRO A 404
REMARK 465 VAL A 405
REMARK 465 ASN A 406
REMARK 465 LYS A 407
REMARK 465 HIS A 629
REMARK 465 GLY A 630
REMARK 465 SER A 631
REMARK 465 GLY A 632
REMARK 465 PRO A 633
REMARK 465 ALA A 634
REMARK 465 ASN A 1030
REMARK 465 SER A 1031
REMARK 465 GLY B -2
REMARK 465 GLY B -1
REMARK 465 SER B 0
REMARK 465 LYS B 352
REMARK 465 GLU B 353
REMARK 465 GLN B 354
REMARK 465 ASP B 355
REMARK 465 GLY B 356
REMARK 465 GLU B 357
REMARK 465 ALA B 358
REMARK 465 THR B 359
REMARK 465 ALA B 360
REMARK 465 GLN B 361
REMARK 465 GLY B 362
REMARK 465 GLY B 363
REMARK 465 SER B 364
REMARK 465 GLN B 365
REMARK 465 GLU B 366
REMARK 465 SER B 367
REMARK 465 THR B 368
REMARK 465 ASP B 369
REMARK 465 PHE B 370
REMARK 465 GLU B 371
REMARK 465 ASP B 372
REMARK 465 SER B 373
REMARK 465 ALA B 374
REMARK 465 PRO B 375
REMARK 465 LEU B 376
REMARK 465 GLU B 377
REMARK 465 ASP B 378
REMARK 465 SER B 379
REMARK 465 GLU B 380
REMARK 465 GLU B 381
REMARK 465 LEU B 382
REMARK 465 TYR B 383
REMARK 465 PHE B 384
REMARK 465 GLY B 385
REMARK 465 ARG B 386
REMARK 465 GLU B 387
REMARK 465 PRO B 388
REMARK 465 HIS B 389
REMARK 465 GLU B 390
REMARK 465 LEU B 391
REMARK 465 GLU B 392
REMARK 465 TYR B 393
REMARK 465 SER B 394
REMARK 465 SER B 395
REMARK 465 ASP B 396
REMARK 465 VAL B 397
REMARK 465 GLU B 398
REMARK 465 GLY B 399
REMARK 465 ASP B 400
REMARK 465 THR B 401
REMARK 465 TYR B 402
REMARK 465 ASN B 403
REMARK 465 GLU B 404
REMARK 465 GLU B 405
REMARK 465 ASP B 406
REMARK 465 GLU B 407
REMARK 465 GLU B 408
REMARK 465 ASP B 409
REMARK 465 GLU B 410
REMARK 465 SER B 411
REMARK 465 GLN B 412
REMARK 465 THR B 413
REMARK 465 GLY B 414
REMARK 465 TYR B 415
REMARK 465 TRP B 416
REMARK 465 ILE B 417
REMARK 465 LYS B 418
REMARK 465 CYS B 419
REMARK 465 CYS B 420
REMARK 465 LEU B 421
REMARK 465 SER B 422
REMARK 465 CYS B 423
REMARK 465 GLN B 424
REMARK 465 VAL B 425
REMARK 465 ASP B 426
REMARK 465 PRO B 427
REMARK 465 ASN B 428
REMARK 465 ILE B 429
REMARK 465 TRP B 430
REMARK 465 GLU B 431
REMARK 465 PRO B 432
REMARK 465 TYR B 433
REMARK 465 TYR B 434
REMARK 465 SER B 435
REMARK 465 THR B 436
REMARK 465 GLU B 437
REMARK 465 LEU B 438
REMARK 465 THR B 439
REMARK 465 ARG B 440
REMARK 465 PRO B 441
REMARK 465 ALA B 442
REMARK 465 MET B 443
REMARK 465 ILE B 444
REMARK 465 PHE B 445
REMARK 465 CYS B 446
REMARK 465 SER B 447
REMARK 465 ARG B 448
REMARK 465 GLY B 449
REMARK 465 GLU B 450
REMARK 465 GLY B 451
REMARK 465 GLY B 452
REMARK 465 HIS B 453
REMARK 465 TRP B 454
REMARK 465 VAL B 455
REMARK 465 HIS B 456
REMARK 465 ALA B 457
REMARK 465 GLN B 458
REMARK 465 CYS B 459
REMARK 465 MET B 460
REMARK 465 GLU B 461
REMARK 465 LEU B 462
REMARK 465 PRO B 463
REMARK 465 GLU B 464
REMARK 465 SER B 465
REMARK 465 LEU B 466
REMARK 465 LEU B 467
REMARK 465 LEU B 468
REMARK 465 GLN B 469
REMARK 465 LEU B 470
REMARK 465 SER B 471
REMARK 465 GLN B 472
REMARK 465 ASP B 473
REMARK 465 ASN B 474
REMARK 465 SER B 475
REMARK 465 LYS B 476
REMARK 465 TYR B 477
REMARK 465 PHE B 478
REMARK 465 CYS B 479
REMARK 465 LEU B 480
REMARK 465 ASP B 481
REMARK 465 HIS B 482
REMARK 465 GLY B 483
REMARK 465 GLY B 484
REMARK 465 LEU B 485
REMARK 465 PRO B 486
REMARK 465 LYS B 487
REMARK 465 GLN B 488
REMARK 465 GLU B 489
REMARK 465 MET B 490
REMARK 465 THR B 491
REMARK 465 PRO B 492
REMARK 465 PRO B 493
REMARK 465 LYS B 494
REMARK 465 GLN B 495
REMARK 465 MET B 496
REMARK 465 LEU B 497
REMARK 465 PRO B 498
REMARK 465 VAL B 499
REMARK 465 LYS B 500
REMARK 465 ARG B 501
REMARK 465 VAL B 502
REMARK 465 PRO B 503
REMARK 465 MET B 504
REMARK 465 LYS B 505
REMARK 465 MET B 506
REMARK 465 THR B 507
REMARK 465 HIS B 508
REMARK 465 ARG B 509
REMARK 465 LYS B 510
REMARK 465 ALA B 511
REMARK 465 PRO B 512
REMARK 465 VAL B 513
REMARK 465 SER B 514
REMARK 465 LEU B 515
REMARK 465 LYS B 516
REMARK 465 MET B 517
REMARK 465 THR B 518
REMARK 465 PRO B 519
REMARK 465 ALA B 520
REMARK 465 LYS B 521
REMARK 465 LYS B 522
REMARK 465 THR B 523
REMARK 465 PHE B 524
REMARK 465 LEU B 525
REMARK 465 ARG B 526
REMARK 465 ARG B 527
REMARK 465 LEU B 528
REMARK 465 PHE B 529
REMARK 465 ASP B 530
REMARK 465 MET C -127
REMARK 465 GLY C -126
REMARK 465 SER C -125
REMARK 465 SER C -124
REMARK 465 HIS C -123
REMARK 465 HIS C -122
REMARK 465 HIS C -121
REMARK 465 HIS C -120
REMARK 465 HIS C -119
REMARK 465 HIS C -118
REMARK 465 GLY C -117
REMARK 465 THR C -116
REMARK 465 LYS C -115
REMARK 465 THR C -114
REMARK 465 GLU C -113
REMARK 465 GLU C -112
REMARK 465 GLY C -111
REMARK 465 LYS C -110
REMARK 465 LEU C -109
REMARK 465 VAL C -108
REMARK 465 ILE C -107
REMARK 465 TRP C -106
REMARK 465 ILE C -105
REMARK 465 ASN C -104
REMARK 465 GLY C -103
REMARK 465 ASP C -102
REMARK 465 LYS C -101
REMARK 465 GLY C -100
REMARK 465 TYR C -99
REMARK 465 ASN C -98
REMARK 465 GLY C -97
REMARK 465 LEU C -96
REMARK 465 ALA C -95
REMARK 465 GLU C -94
REMARK 465 VAL C -93
REMARK 465 GLY C -92
REMARK 465 LYS C -91
REMARK 465 LYS C -90
REMARK 465 PHE C -89
REMARK 465 GLU C -88
REMARK 465 LYS C -87
REMARK 465 ASP C -86
REMARK 465 THR C -85
REMARK 465 GLY C -84
REMARK 465 ILE C -83
REMARK 465 LYS C -82
REMARK 465 VAL C -81
REMARK 465 THR C -80
REMARK 465 VAL C -79
REMARK 465 GLU C -78
REMARK 465 HIS C -77
REMARK 465 PRO C -76
REMARK 465 ASP C -75
REMARK 465 LYS C -74
REMARK 465 LEU C -73
REMARK 465 GLU C -72
REMARK 465 GLU C -71
REMARK 465 LYS C -70
REMARK 465 PHE C -69
REMARK 465 PRO C -68
REMARK 465 GLN C -67
REMARK 465 VAL C -66
REMARK 465 ALA C -65
REMARK 465 ALA C -64
REMARK 465 THR C -63
REMARK 465 GLY C -62
REMARK 465 ASP C -61
REMARK 465 GLY C -60
REMARK 465 PRO C -59
REMARK 465 ASP C -58
REMARK 465 ILE C -57
REMARK 465 ILE C -56
REMARK 465 PHE C -55
REMARK 465 TRP C -54
REMARK 465 ALA C -53
REMARK 465 HIS C -52
REMARK 465 ASP C -51
REMARK 465 ARG C -50
REMARK 465 PHE C -49
REMARK 465 GLY C -48
REMARK 465 GLY C -47
REMARK 465 TYR C -46
REMARK 465 ALA C -45
REMARK 465 GLN C -44
REMARK 465 SER C -43
REMARK 465 GLY C -42
REMARK 465 LEU C -41
REMARK 465 LEU C -40
REMARK 465 ALA C -39
REMARK 465 GLU C -38
REMARK 465 ILE C -37
REMARK 465 THR C -36
REMARK 465 PRO C -35
REMARK 465 ASP C -34
REMARK 465 LYS C -33
REMARK 465 ALA C -32
REMARK 465 PHE C -31
REMARK 465 GLN C -30
REMARK 465 ASP C -29
REMARK 465 LYS C -28
REMARK 465 LEU C -27
REMARK 465 TYR C -26
REMARK 465 PRO C -25
REMARK 465 PHE C -24
REMARK 465 THR C -23
REMARK 465 TRP C -22
REMARK 465 ASP C -21
REMARK 465 ALA C -20
REMARK 465 VAL C -19
REMARK 465 ARG C -18
REMARK 465 TYR C -17
REMARK 465 ASN C -16
REMARK 465 GLY C -15
REMARK 465 LYS C -14
REMARK 465 LEU C -13
REMARK 465 ILE C -12
REMARK 465 ALA C -11
REMARK 465 TYR C -10
REMARK 465 PRO C -9
REMARK 465 ILE C -8
REMARK 465 ALA C -7
REMARK 465 VAL C -6
REMARK 465 GLU C -5
REMARK 465 ALA C -4
REMARK 465 LEU C -3
REMARK 465 SER C -2
REMARK 465 LEU C -1
REMARK 465 ILE C 0
REMARK 465 TYR C 1
REMARK 465 ASN C 2
REMARK 465 LYS C 3
REMARK 465 ASP C 4
REMARK 465 LEU C 5
REMARK 465 LEU C 6
REMARK 465 PRO C 7
REMARK 465 ASN C 8
REMARK 465 PRO C 9
REMARK 465 PRO C 10
REMARK 465 LYS C 11
REMARK 465 THR C 12
REMARK 465 TRP C 13
REMARK 465 GLU C 14
REMARK 465 GLU C 15
REMARK 465 ILE C 16
REMARK 465 PRO C 17
REMARK 465 ALA C 18
REMARK 465 LEU C 19
REMARK 465 ASP C 20
REMARK 465 LYS C 21
REMARK 465 GLU C 22
REMARK 465 LEU C 23
REMARK 465 LYS C 24
REMARK 465 ALA C 25
REMARK 465 LYS C 26
REMARK 465 GLY C 27
REMARK 465 LYS C 28
REMARK 465 SER C 29
REMARK 465 ALA C 30
REMARK 465 LEU C 31
REMARK 465 MET C 32
REMARK 465 PHE C 33
REMARK 465 ASN C 34
REMARK 465 LEU C 35
REMARK 465 GLN C 36
REMARK 465 GLU C 37
REMARK 465 PRO C 38
REMARK 465 TYR C 39
REMARK 465 PHE C 40
REMARK 465 THR C 41
REMARK 465 TRP C 42
REMARK 465 PRO C 43
REMARK 465 LEU C 44
REMARK 465 ILE C 45
REMARK 465 ALA C 46
REMARK 465 ALA C 47
REMARK 465 ASP C 48
REMARK 465 GLY C 49
REMARK 465 GLY C 50
REMARK 465 TYR C 51
REMARK 465 ALA C 52
REMARK 465 PHE C 53
REMARK 465 LYS C 54
REMARK 465 TYR C 55
REMARK 465 GLU C 56
REMARK 465 ASN C 57
REMARK 465 GLY C 58
REMARK 465 LYS C 59
REMARK 465 TYR C 60
REMARK 465 ASP C 61
REMARK 465 ILE C 62
REMARK 465 LYS C 63
REMARK 465 ASP C 64
REMARK 465 VAL C 65
REMARK 465 GLY C 66
REMARK 465 VAL C 67
REMARK 465 ASP C 68
REMARK 465 ASN C 69
REMARK 465 ALA C 70
REMARK 465 GLY C 71
REMARK 465 ALA C 72
REMARK 465 LYS C 73
REMARK 465 ALA C 74
REMARK 465 GLY C 75
REMARK 465 LEU C 76
REMARK 465 THR C 77
REMARK 465 PHE C 78
REMARK 465 LEU C 79
REMARK 465 VAL C 80
REMARK 465 ASP C 81
REMARK 465 LEU C 82
REMARK 465 ILE C 83
REMARK 465 LYS C 84
REMARK 465 ASN C 85
REMARK 465 LYS C 86
REMARK 465 HIS C 87
REMARK 465 MET C 88
REMARK 465 ASN C 89
REMARK 465 ALA C 90
REMARK 465 ASP C 91
REMARK 465 THR C 92
REMARK 465 ASP C 93
REMARK 465 TYR C 94
REMARK 465 SER C 95
REMARK 465 ILE C 96
REMARK 465 ALA C 97
REMARK 465 GLU C 98
REMARK 465 ALA C 99
REMARK 465 ALA C 100
REMARK 465 PHE C 101
REMARK 465 ASN C 102
REMARK 465 LYS C 103
REMARK 465 GLY C 104
REMARK 465 GLU C 105
REMARK 465 THR C 106
REMARK 465 ALA C 107
REMARK 465 MET C 108
REMARK 465 THR C 109
REMARK 465 ILE C 110
REMARK 465 ASN C 111
REMARK 465 GLY C 112
REMARK 465 PRO C 113
REMARK 465 TRP C 114
REMARK 465 ALA C 115
REMARK 465 TRP C 116
REMARK 465 SER C 117
REMARK 465 ASN C 118
REMARK 465 ILE C 119
REMARK 465 ASP C 120
REMARK 465 THR C 121
REMARK 465 SER C 122
REMARK 465 LYS C 123
REMARK 465 VAL C 124
REMARK 465 ASN C 125
REMARK 465 TYR C 126
REMARK 465 GLY C 127
REMARK 465 VAL C 128
REMARK 465 THR C 129
REMARK 465 VAL C 130
REMARK 465 LEU C 131
REMARK 465 PRO C 132
REMARK 465 THR C 133
REMARK 465 PHE C 134
REMARK 465 LYS C 135
REMARK 465 GLY C 136
REMARK 465 GLN C 137
REMARK 465 PRO C 138
REMARK 465 SER C 139
REMARK 465 LYS C 140
REMARK 465 PRO C 141
REMARK 465 PHE C 142
REMARK 465 VAL C 143
REMARK 465 GLY C 144
REMARK 465 VAL C 145
REMARK 465 LEU C 146
REMARK 465 SER C 147
REMARK 465 ALA C 148
REMARK 465 GLY C 149
REMARK 465 ILE C 150
REMARK 465 ASN C 151
REMARK 465 ALA C 152
REMARK 465 ALA C 153
REMARK 465 SER C 154
REMARK 465 PRO C 155
REMARK 465 ASN C 156
REMARK 465 LYS C 157
REMARK 465 GLU C 158
REMARK 465 LEU C 159
REMARK 465 ALA C 160
REMARK 465 LYS C 161
REMARK 465 GLU C 162
REMARK 465 PHE C 163
REMARK 465 LEU C 164
REMARK 465 GLU C 165
REMARK 465 ASN C 166
REMARK 465 TYR C 167
REMARK 465 LEU C 168
REMARK 465 LEU C 169
REMARK 465 THR C 170
REMARK 465 ASP C 171
REMARK 465 GLU C 172
REMARK 465 GLY C 173
REMARK 465 LEU C 174
REMARK 465 GLU C 175
REMARK 465 ALA C 176
REMARK 465 VAL C 177
REMARK 465 ASN C 178
REMARK 465 LYS C 179
REMARK 465 ASP C 180
REMARK 465 LYS C 181
REMARK 465 PRO C 182
REMARK 465 LEU C 183
REMARK 465 GLY C 184
REMARK 465 ALA C 185
REMARK 465 VAL C 186
REMARK 465 ALA C 187
REMARK 465 LEU C 188
REMARK 465 LYS C 189
REMARK 465 SER C 190
REMARK 465 TYR C 191
REMARK 465 GLU C 192
REMARK 465 GLU C 193
REMARK 465 GLU C 194
REMARK 465 LEU C 195
REMARK 465 ALA C 196
REMARK 465 LYS C 197
REMARK 465 ASP C 198
REMARK 465 PRO C 199
REMARK 465 ARG C 200
REMARK 465 ILE C 201
REMARK 465 ALA C 202
REMARK 465 ALA C 203
REMARK 465 THR C 204
REMARK 465 MET C 205
REMARK 465 GLU C 206
REMARK 465 ASN C 207
REMARK 465 ALA C 208
REMARK 465 GLN C 209
REMARK 465 LYS C 210
REMARK 465 GLY C 211
REMARK 465 GLU C 212
REMARK 465 ILE C 213
REMARK 465 MET C 214
REMARK 465 PRO C 215
REMARK 465 ASN C 216
REMARK 465 ILE C 217
REMARK 465 PRO C 218
REMARK 465 GLN C 219
REMARK 465 MET C 220
REMARK 465 SER C 221
REMARK 465 ALA C 222
REMARK 465 PHE C 223
REMARK 465 TRP C 224
REMARK 465 TYR C 225
REMARK 465 ALA C 226
REMARK 465 VAL C 227
REMARK 465 ARG C 228
REMARK 465 THR C 229
REMARK 465 ALA C 230
REMARK 465 VAL C 231
REMARK 465 ILE C 232
REMARK 465 ASN C 233
REMARK 465 ALA C 234
REMARK 465 ALA C 235
REMARK 465 SER C 236
REMARK 465 GLY C 237
REMARK 465 ARG C 238
REMARK 465 GLN C 239
REMARK 465 THR C 240
REMARK 465 VAL C 241
REMARK 465 ASP C 242
REMARK 465 GLU C 243
REMARK 465 ALA C 244
REMARK 465 LEU C 245
REMARK 465 LYS C 246
REMARK 465 ASP C 247
REMARK 465 ALA C 248
REMARK 465 GLN C 249
REMARK 465 THR C 250
REMARK 465 GLY C 251
REMARK 465 THR C 252
REMARK 465 ASP C 253
REMARK 465 TYR C 254
REMARK 465 ASP C 255
REMARK 465 ILE C 256
REMARK 465 PRO C 257
REMARK 465 THR C 258
REMARK 465 THR C 259
REMARK 465 LEU C 260
REMARK 465 GLU C 261
REMARK 465 VAL C 262
REMARK 465 LEU C 263
REMARK 465 PHE C 264
REMARK 465 GLN C 265
REMARK 465 GLY C 266
REMARK 465 PRO C 267
REMARK 465 LEU C 268
REMARK 465 GLY C 269
REMARK 465 SER C 270
REMARK 465 ARG C 271
REMARK 465 CYS C 272
REMARK 465 GLN C 273
REMARK 465 ARG C 274
REMARK 465 ASP C 275
REMARK 465 HIS C 276
REMARK 465 LEU C 277
REMARK 465 SER C 278
REMARK 465 THR C 279
REMARK 465 LYS C 280
REMARK 465 LEU C 281
REMARK 465 ILE C 282
REMARK 465 PRO C 283
REMARK 465 THR C 284
REMARK 465 GLU C 285
REMARK 465 VAL C 286
REMARK 465 PRO C 287
REMARK 465 ALA C 288
REMARK 465 ASP C 289
REMARK 465 LEU C 290
REMARK 465 ILE C 291
REMARK 465 ARG C 292
REMARK 465 ALA C 293
REMARK 465 VAL C 294
REMARK 465 THR C 295
REMARK 465 CYS C 296
REMARK 465 GLN C 297
REMARK 465 VAL C 298
REMARK 465 CYS C 299
REMARK 465 ASP C 300
REMARK 465 HIS C 301
REMARK 465 LEU C 302
REMARK 465 LEU C 303
REMARK 465 SER C 304
REMARK 465 ASP C 305
REMARK 465 PRO C 306
REMARK 465 VAL C 307
REMARK 465 GLN C 308
REMARK 465 SER C 309
REMARK 465 PRO C 310
REMARK 465 CYS C 311
REMARK 465 ARG C 312
REMARK 465 HIS C 313
REMARK 465 LEU C 314
REMARK 465 PHE C 315
REMARK 465 CYS C 316
REMARK 465 ARG C 317
REMARK 465 LEU C 318
REMARK 465 CYS C 319
REMARK 465 ILE C 320
REMARK 465 ILE C 321
REMARK 465 ARG C 322
REMARK 465 TYR C 323
REMARK 465 THR C 324
REMARK 465 HIS C 325
REMARK 465 ALA C 326
REMARK 465 LEU C 327
REMARK 465 GLY C 328
REMARK 465 PRO C 329
REMARK 465 ASN C 330
REMARK 465 CYS C 331
REMARK 465 PRO C 332
REMARK 465 THR C 333
REMARK 465 CYS C 334
REMARK 465 ASN C 335
REMARK 465 GLN C 336
REMARK 465 HIS C 337
REMARK 465 LEU C 338
REMARK 465 ASN C 339
REMARK 465 PRO C 340
REMARK 465 SER C 341
REMARK 465 HIS C 342
REMARK 465 LEU C 343
REMARK 465 ILE C 344
REMARK 465 LYS C 345
REMARK 465 PRO C 346
REMARK 465 ALA C 347
REMARK 465 LYS C 348
REMARK 465 PHE C 349
REMARK 465 PHE C 350
REMARK 465 LEU C 351
REMARK 465 ALA C 352
REMARK 465 THR C 353
REMARK 465 LEU C 354
REMARK 465 SER C 355
REMARK 465 SER C 356
REMARK 465 LEU C 357
REMARK 465 PRO C 358
REMARK 465 LEU C 359
REMARK 465 LEU C 360
REMARK 465 CYS C 361
REMARK 465 PRO C 362
REMARK 465 SER C 363
REMARK 465 GLU C 364
REMARK 465 GLU C 365
REMARK 465 CYS C 366
REMARK 465 SER C 367
REMARK 465 ASP C 368
REMARK 465 TRP C 369
REMARK 465 VAL C 370
REMARK 465 ARG C 371
REMARK 465 LEU C 372
REMARK 465 ASP C 373
REMARK 465 SER C 374
REMARK 465 PHE C 375
REMARK 465 ARG C 376
REMARK 465 GLU C 377
REMARK 465 HIS C 378
REMARK 465 CYS C 379
REMARK 465 LEU C 380
REMARK 465 ASN C 381
REMARK 465 HIS C 382
REMARK 465 TYR C 383
REMARK 465 ARG C 384
REMARK 465 GLU C 385
REMARK 465 LYS C 386
REMARK 465 GLU C 387
REMARK 465 SER C 388
REMARK 465 GLN C 389
REMARK 465 GLU C 390
REMARK 465 GLU C 391
REMARK 465 GLN C 392
REMARK 465 THR C 393
REMARK 465 PRO C 394
REMARK 465 SER C 395
REMARK 465 GLU C 396
REMARK 465 GLN C 397
REMARK 465 ASN C 398
REMARK 465 LEU C 399
REMARK 465 ASP C 400
REMARK 465 GLY C 401
REMARK 465 TYR C 402
REMARK 465 LEU C 403
REMARK 465 PRO C 404
REMARK 465 VAL C 405
REMARK 465 ASN C 406
REMARK 465 LYS C 407
REMARK 465 LYS C 1029
REMARK 465 ASN C 1030
REMARK 465 SER C 1031
REMARK 465 GLY D -2
REMARK 465 GLY D -1
REMARK 465 SER D 0
REMARK 465 LYS D 352
REMARK 465 GLU D 353
REMARK 465 GLN D 354
REMARK 465 ASP D 355
REMARK 465 GLY D 356
REMARK 465 GLU D 357
REMARK 465 ALA D 358
REMARK 465 THR D 359
REMARK 465 ALA D 360
REMARK 465 GLN D 361
REMARK 465 GLY D 362
REMARK 465 GLY D 363
REMARK 465 SER D 364
REMARK 465 GLN D 365
REMARK 465 GLU D 366
REMARK 465 SER D 367
REMARK 465 THR D 368
REMARK 465 ASP D 369
REMARK 465 PHE D 370
REMARK 465 GLU D 371
REMARK 465 ASP D 372
REMARK 465 SER D 373
REMARK 465 ALA D 374
REMARK 465 PRO D 375
REMARK 465 LEU D 376
REMARK 465 GLU D 377
REMARK 465 ASP D 378
REMARK 465 SER D 379
REMARK 465 GLU D 380
REMARK 465 GLU D 381
REMARK 465 LEU D 382
REMARK 465 TYR D 383
REMARK 465 PHE D 384
REMARK 465 GLY D 385
REMARK 465 ARG D 386
REMARK 465 GLU D 387
REMARK 465 PRO D 388
REMARK 465 HIS D 389
REMARK 465 GLU D 390
REMARK 465 LEU D 391
REMARK 465 GLU D 392
REMARK 465 TYR D 393
REMARK 465 SER D 394
REMARK 465 SER D 395
REMARK 465 ASP D 396
REMARK 465 VAL D 397
REMARK 465 GLU D 398
REMARK 465 GLY D 399
REMARK 465 ASP D 400
REMARK 465 THR D 401
REMARK 465 TYR D 402
REMARK 465 ASN D 403
REMARK 465 GLU D 404
REMARK 465 GLU D 405
REMARK 465 ASP D 406
REMARK 465 GLU D 407
REMARK 465 GLU D 408
REMARK 465 ASP D 409
REMARK 465 GLU D 410
REMARK 465 SER D 411
REMARK 465 GLN D 412
REMARK 465 THR D 413
REMARK 465 GLY D 414
REMARK 465 TYR D 415
REMARK 465 TRP D 416
REMARK 465 ILE D 417
REMARK 465 LYS D 418
REMARK 465 CYS D 419
REMARK 465 CYS D 420
REMARK 465 LEU D 421
REMARK 465 SER D 422
REMARK 465 CYS D 423
REMARK 465 GLN D 424
REMARK 465 VAL D 425
REMARK 465 ASP D 426
REMARK 465 PRO D 427
REMARK 465 ASN D 428
REMARK 465 ILE D 429
REMARK 465 TRP D 430
REMARK 465 GLU D 431
REMARK 465 PRO D 432
REMARK 465 TYR D 433
REMARK 465 TYR D 434
REMARK 465 SER D 435
REMARK 465 THR D 436
REMARK 465 GLU D 437
REMARK 465 LEU D 438
REMARK 465 THR D 439
REMARK 465 ARG D 440
REMARK 465 PRO D 441
REMARK 465 ALA D 442
REMARK 465 MET D 443
REMARK 465 ILE D 444
REMARK 465 PHE D 445
REMARK 465 CYS D 446
REMARK 465 SER D 447
REMARK 465 ARG D 448
REMARK 465 GLY D 449
REMARK 465 GLU D 450
REMARK 465 GLY D 451
REMARK 465 GLY D 452
REMARK 465 HIS D 453
REMARK 465 TRP D 454
REMARK 465 VAL D 455
REMARK 465 HIS D 456
REMARK 465 ALA D 457
REMARK 465 GLN D 458
REMARK 465 CYS D 459
REMARK 465 MET D 460
REMARK 465 GLU D 461
REMARK 465 LEU D 462
REMARK 465 PRO D 463
REMARK 465 GLU D 464
REMARK 465 SER D 465
REMARK 465 LEU D 466
REMARK 465 LEU D 467
REMARK 465 LEU D 468
REMARK 465 GLN D 469
REMARK 465 LEU D 470
REMARK 465 SER D 471
REMARK 465 GLN D 472
REMARK 465 ASP D 473
REMARK 465 ASN D 474
REMARK 465 SER D 475
REMARK 465 LYS D 476
REMARK 465 TYR D 477
REMARK 465 PHE D 478
REMARK 465 CYS D 479
REMARK 465 LEU D 480
REMARK 465 ASP D 481
REMARK 465 HIS D 482
REMARK 465 GLY D 483
REMARK 465 GLY D 484
REMARK 465 LEU D 485
REMARK 465 PRO D 486
REMARK 465 LYS D 487
REMARK 465 GLN D 488
REMARK 465 GLU D 489
REMARK 465 MET D 490
REMARK 465 THR D 491
REMARK 465 PRO D 492
REMARK 465 PRO D 493
REMARK 465 LYS D 494
REMARK 465 GLN D 495
REMARK 465 MET D 496
REMARK 465 LEU D 497
REMARK 465 PRO D 498
REMARK 465 VAL D 499
REMARK 465 LYS D 500
REMARK 465 ARG D 501
REMARK 465 VAL D 502
REMARK 465 PRO D 503
REMARK 465 MET D 504
REMARK 465 LYS D 505
REMARK 465 MET D 506
REMARK 465 THR D 507
REMARK 465 HIS D 508
REMARK 465 ARG D 509
REMARK 465 LYS D 510
REMARK 465 ALA D 511
REMARK 465 PRO D 512
REMARK 465 VAL D 513
REMARK 465 SER D 514
REMARK 465 LEU D 515
REMARK 465 LYS D 516
REMARK 465 MET D 517
REMARK 465 THR D 518
REMARK 465 PRO D 519
REMARK 465 ALA D 520
REMARK 465 LYS D 521
REMARK 465 LYS D 522
REMARK 465 THR D 523
REMARK 465 PHE D 524
REMARK 465 LEU D 525
REMARK 465 ARG D 526
REMARK 465 ARG D 527
REMARK 465 LEU D 528
REMARK 465 PHE D 529
REMARK 465 ASP D 530
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 NH1 ARG C 505 OP2 DT F 25 1.71
REMARK 500 NH1 ARG A 523 OP2 DG G 24 1.81
REMARK 500 OE2 GLU C 789 NH1 ARG C 797 1.89
REMARK 500 OD2 ASP A 814 ND1 HIS A 817 1.92
REMARK 500 OE2 GLU C 738 ND2 ASN C 775 1.93
REMARK 500 O2 DC E 31 N2 DG F 20 1.96
REMARK 500 OE2 GLU A 825 OH TYR A 950 2.01
REMARK 500 NH1 ARG C 641 OD1 ASN C 987 2.02
REMARK 500 NZ LYS A 903 OE1 GLN A 937 2.02
REMARK 500 NH1 ARG B 58 OP1 DG E 7 2.03
REMARK 500 OG1 THR D 97 OE2 GLU D 101 2.03
REMARK 500 NZ LYS B 150 O LEU B 240 2.06
REMARK 500 O GLY B 94 OG SER B 103 2.07
REMARK 500 NZ LYS A 784 OE2 GLU B 126 2.08
REMARK 500 O THR C 506 OG1 THR C 510 2.09
REMARK 500 OE1 GLN A 499 OG1 THR C 493 2.10
REMARK 500 OG SER D 103 OG SER D 105 2.10
REMARK 500 NE ARG A 994 OE2 GLU A 1005 2.12
REMARK 500 CG ARG C 999 OD2 ASP C 1008 2.12
REMARK 500 OE1 GLU D 310 OH TYR D 346 2.12
REMARK 500 NH2 ARG C 675 CZ3 TRP C 1014 2.13
REMARK 500 O GLU A 981 OG SER A 985 2.14
REMARK 500 NZ LYS D 283 O SER D 314 2.15
REMARK 500 O GLY C 726 OG1 THR C 809 2.16
REMARK 500 NH1 ARG A 505 OP2 DT H 36 2.16
REMARK 500 OE2 GLU C 665 N LYS C 667 2.16
REMARK 500 O ARG C 797 NZ LYS C 799 2.17
REMARK 500 OD2 ASP C 832 NH1 ARG C 949 2.17
REMARK 500 NH2 ARG A 708 OG SER A 719 2.17
REMARK 500 OG1 THR B 259 O TYR B 277 2.17
REMARK 500 OD1 ASP A 753 OG1 THR A 769 2.17
REMARK 500 ND1 HIS C 817 OH TYR C 957 2.18
REMARK 500 OH TYR B 277 O TRP B 317 2.19
REMARK 500 OE1 GLU A 731 OG1 THR A 750 2.19
REMARK 500 OE2 GLU A 789 NE ARG A 797 2.19
REMARK 500
REMARK 500 REMARK: NULL
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 GLN A 810 C - N - CA ANGL. DEV. = -16.2 DEGREES
REMARK 500 SER B 264 C - N - CA ANGL. DEV. = -17.4 DEGREES
REMARK 500 ARG C 675 C - N - CA ANGL. DEV. = -17.3 DEGREES
REMARK 500 DT E 5 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DG E 21 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 DT E 32 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 DT F 12 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DT F 25 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 DA F 26 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES
REMARK 500 DG F 34 O4' - C1' - N9 ANGL. DEV. = 7.7 DEGREES
REMARK 500 DC F 44 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DC F 45 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DG F 47 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 DT G 14 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DC G 17 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DT G 36 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DT G 38 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 DC H 21 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 DG H 27 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES
REMARK 500 DG H 32 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DA H 37 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DC H 39 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 DT H 42 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES
REMARK 500 DT H 46 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 DA H 47 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES
REMARK 500 DG H 49 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DG H 53 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 DA H 59 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 DT H 60 O4' - C1' - N1 ANGL. DEV. = 2.1 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 GLU A 463 56.46 -95.46
REMARK 500 ASN A 492 7.48 -67.03
REMARK 500 SER A 511 12.20 54.19
REMARK 500 ILE A 515 -62.76 -93.98
REMARK 500 PHE A 533 -21.98 -140.23
REMARK 500 CYS A 607 48.77 39.68
REMARK 500 THR A 750 0.19 -68.11
REMARK 500 VAL A 764 -64.52 -105.26
REMARK 500 MET A 863 -11.18 72.62
REMARK 500 PRO A 913 3.11 -63.45
REMARK 500 CYS A 924 79.32 -154.93
REMARK 500 PHE A 946 25.95 -140.61
REMARK 500 ASP A 972 32.12 -91.51
REMARK 500 TRP A 978 34.81 -91.76
REMARK 500 SER A1001 127.50 -171.27
REMARK 500 ASN B 10 -163.76 -160.67
REMARK 500 ARG B 73 -60.20 -103.93
REMARK 500 HIS B 79 76.85 -100.09
REMARK 500 GLN B 83 -169.19 -167.47
REMARK 500 HIS B 93 143.24 -170.68
REMARK 500 ARG B 114 143.64 -174.78
REMARK 500 ARG B 118 19.63 50.89
REMARK 500 HIS B 140 -167.96 -76.95
REMARK 500 ARG B 148 59.66 38.71
REMARK 500 PRO B 180 71.24 -69.79
REMARK 500 PRO B 198 9.54 -69.24
REMARK 500 ASP B 214 27.57 46.40
REMARK 500 SER B 260 71.28 57.46
REMARK 500 ILE B 266 -66.66 -92.23
REMARK 500 TRP B 317 -178.43 -173.14
REMARK 500 LYS B 324 66.56 61.50
REMARK 500 PRO B 332 108.76 -54.00
REMARK 500 GLU B 334 -168.08 -118.39
REMARK 500 GLU B 341 86.92 -69.46
REMARK 500 ARG C 477 -3.86 68.60
REMARK 500 LEU C 481 143.63 -172.21
REMARK 500 ASN C 492 2.64 -63.74
REMARK 500 THR C 493 23.11 -141.21
REMARK 500 PHE C 536 -174.48 -172.25
REMARK 500 ARG C 575 -168.10 -164.35
REMARK 500 SER C 605 6.71 -69.77
REMARK 500 CYS C 619 118.79 -161.20
REMARK 500 ASP C 624 58.78 32.23
REMARK 500 HIS C 629 43.51 71.39
REMARK 500 VAL C 635 45.12 34.60
REMARK 500 PRO C 636 46.12 -92.44
REMARK 500 SER C 650 -168.81 -129.74
REMARK 500 ASP C 657 47.00 30.43
REMARK 500 THR C 661 96.08 -68.50
REMARK 500 GLU C 684 -6.84 -59.68
REMARK 500
REMARK 500 THIS ENTRY HAS 72 RAMACHANDRAN OUTLIERS.
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 512 ARG A 513 141.74
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA A1102 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP A 620 OD2
REMARK 620 2 GLU A 984 OE2 62.4
REMARK 620 3 DC E 17 OP1 68.4 74.5
REMARK 620 4 DC E 17 OP2 123.4 101.5 55.1
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A1101 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 749 SG
REMARK 620 2 HIS A 959 NE2 75.3
REMARK 620 3 HIS A 964 NE2 76.5 83.4
REMARK 620 N 1 2
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA A1103 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 GLU A 984 OE1
REMARK 620 2 GLU A 984 OE2 50.1
REMARK 620 3 DC E 17 OP1 114.6 65.1
REMARK 620 4 DC E 17 OP2 162.3 117.9 53.1
REMARK 620 5 DC E 17 O5' 131.9 91.4 47.7 52.5
REMARK 620 N 1 2 3 4
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA C1103 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP C 620 OD1
REMARK 620 2 ASP C 620 OD2 47.9
REMARK 620 N 1
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA C1102 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP C 620 OD2
REMARK 620 2 GLU C 984 OE1 64.9
REMARK 620 3 GLU C 984 OE2 105.9 41.1
REMARK 620 N 1 2
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN C1101 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 SER C 767 N
REMARK 620 2 SER C 767 O 75.2
REMARK 620 N 1
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 1101
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 1102
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 1103
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN C 1101
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue CA C 1102
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue CA C 1103
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: EMD-7843 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7844 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7845 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7846 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7847 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7848 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7849 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7850 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7851 RELATED DB: EMDB
REMARK 900 CRYO-EM STRUCTURE OF RAG IN COMPLEX WITH MELTED 12-RSS AND UNMELTED
REMARK 900 23-RSS SUBSTRATES
REMARK 900 RELATED ID: EMD-7852 RELATED DB: EMDB
REMARK 900 RELATED ID: EMD-7853 RELATED DB: EMDB
REMARK 900 RELATED ID: 6DBI RELATED DB: PDB
REMARK 900 RELATED ID: 6DBJ RELATED DB: PDB
REMARK 900 RELATED ID: 6DBL RELATED DB: PDB
REMARK 900 RELATED ID: 6DBO RELATED DB: PDB
REMARK 900 RELATED ID: 6DBQ RELATED DB: PDB
REMARK 900 RELATED ID: 6DBR RELATED DB: PDB
REMARK 900 RELATED ID: 6DBU RELATED DB: PDB
REMARK 900 RELATED ID: 6DBV RELATED DB: PDB
REMARK 900 RELATED ID: 6DBW RELATED DB: PDB
REMARK 900 RELATED ID: 6DBX RELATED DB: PDB
DBREF 6DBV A -113 250 UNP P0AEX9 MALE_ECOLI 29 392
DBREF 6DBV A 271 1031 UNP O13033 RAG1_DANRE 271 1031
DBREF 6DBV B 1 530 UNP Q1RLW7 Q1RLW7_DANRE 1 530
DBREF 6DBV C -113 250 UNP P0AEX9 MALE_ECOLI 29 392
DBREF 6DBV C 271 1031 UNP O13033 RAG1_DANRE 271 1031
DBREF 6DBV D 1 530 UNP Q1RLW7 Q1RLW7_DANRE 1 530
DBREF 6DBV E 1 50 PDB 6DBV 6DBV 1 50
DBREF 6DBV F 1 50 PDB 6DBV 6DBV 1 50
DBREF 6DBV G 1 61 PDB 6DBV 6DBV 1 61
DBREF 6DBV H 1 61 PDB 6DBV 6DBV 1 61
SEQADV 6DBV MET A -127 UNP P0AEX9 INITIATING METHIONINE
SEQADV 6DBV GLY A -126 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV SER A -125 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV SER A -124 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -123 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -122 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -121 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -120 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -119 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS A -118 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV GLY A -117 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV THR A -116 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV LYS A -115 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV THR A -114 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV GLY A 251 UNP P0AEX9 LINKER
SEQADV 6DBV THR A 252 UNP P0AEX9 LINKER
SEQADV 6DBV ASP A 253 UNP P0AEX9 LINKER
SEQADV 6DBV TYR A 254 UNP P0AEX9 LINKER
SEQADV 6DBV ASP A 255 UNP P0AEX9 LINKER
SEQADV 6DBV ILE A 256 UNP P0AEX9 LINKER
SEQADV 6DBV PRO A 257 UNP P0AEX9 LINKER
SEQADV 6DBV THR A 258 UNP P0AEX9 LINKER
SEQADV 6DBV THR A 259 UNP P0AEX9 LINKER
SEQADV 6DBV LEU A 260 UNP P0AEX9 LINKER
SEQADV 6DBV GLU A 261 UNP P0AEX9 LINKER
SEQADV 6DBV VAL A 262 UNP P0AEX9 LINKER
SEQADV 6DBV LEU A 263 UNP P0AEX9 LINKER
SEQADV 6DBV PHE A 264 UNP P0AEX9 LINKER
SEQADV 6DBV GLN A 265 UNP P0AEX9 LINKER
SEQADV 6DBV GLY A 266 UNP P0AEX9 LINKER
SEQADV 6DBV PRO A 267 UNP P0AEX9 LINKER
SEQADV 6DBV LEU A 268 UNP P0AEX9 LINKER
SEQADV 6DBV GLY A 269 UNP P0AEX9 LINKER
SEQADV 6DBV SER A 270 UNP P0AEX9 LINKER
SEQADV 6DBV ARG A 465 UNP O13033 LYS 465 CONFLICT
SEQADV 6DBV GLY B -2 UNP Q1RLW7 EXPRESSION TAG
SEQADV 6DBV GLY B -1 UNP Q1RLW7 EXPRESSION TAG
SEQADV 6DBV SER B 0 UNP Q1RLW7 EXPRESSION TAG
SEQADV 6DBV MET C -127 UNP P0AEX9 INITIATING METHIONINE
SEQADV 6DBV GLY C -126 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV SER C -125 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV SER C -124 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -123 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -122 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -121 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -120 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -119 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV HIS C -118 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV GLY C -117 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV THR C -116 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV LYS C -115 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV THR C -114 UNP P0AEX9 EXPRESSION TAG
SEQADV 6DBV GLY C 251 UNP P0AEX9 LINKER
SEQADV 6DBV THR C 252 UNP P0AEX9 LINKER
SEQADV 6DBV ASP C 253 UNP P0AEX9 LINKER
SEQADV 6DBV TYR C 254 UNP P0AEX9 LINKER
SEQADV 6DBV ASP C 255 UNP P0AEX9 LINKER
SEQADV 6DBV ILE C 256 UNP P0AEX9 LINKER
SEQADV 6DBV PRO C 257 UNP P0AEX9 LINKER
SEQADV 6DBV THR C 258 UNP P0AEX9 LINKER
SEQADV 6DBV THR C 259 UNP P0AEX9 LINKER
SEQADV 6DBV LEU C 260 UNP P0AEX9 LINKER
SEQADV 6DBV GLU C 261 UNP P0AEX9 LINKER
SEQADV 6DBV VAL C 262 UNP P0AEX9 LINKER
SEQADV 6DBV LEU C 263 UNP P0AEX9 LINKER
SEQADV 6DBV PHE C 264 UNP P0AEX9 LINKER
SEQADV 6DBV GLN C 265 UNP P0AEX9 LINKER
SEQADV 6DBV GLY C 266 UNP P0AEX9 LINKER
SEQADV 6DBV PRO C 267 UNP P0AEX9 LINKER
SEQADV 6DBV LEU C 268 UNP P0AEX9 LINKER
SEQADV 6DBV GLY C 269 UNP P0AEX9 LINKER
SEQADV 6DBV SER C 270 UNP P0AEX9 LINKER
SEQADV 6DBV GLY D -2 UNP Q1RLW7 EXPRESSION TAG
SEQADV 6DBV GLY D -1 UNP Q1RLW7 EXPRESSION TAG
SEQADV 6DBV SER D 0 UNP Q1RLW7 EXPRESSION TAG
SEQRES 1 A 1159 MET GLY SER SER HIS HIS HIS HIS HIS HIS GLY THR LYS
SEQRES 2 A 1159 THR GLU GLU GLY LYS LEU VAL ILE TRP ILE ASN GLY ASP
SEQRES 3 A 1159 LYS GLY TYR ASN GLY LEU ALA GLU VAL GLY LYS LYS PHE
SEQRES 4 A 1159 GLU LYS ASP THR GLY ILE LYS VAL THR VAL GLU HIS PRO
SEQRES 5 A 1159 ASP LYS LEU GLU GLU LYS PHE PRO GLN VAL ALA ALA THR
SEQRES 6 A 1159 GLY ASP GLY PRO ASP ILE ILE PHE TRP ALA HIS ASP ARG
SEQRES 7 A 1159 PHE GLY GLY TYR ALA GLN SER GLY LEU LEU ALA GLU ILE
SEQRES 8 A 1159 THR PRO ASP LYS ALA PHE GLN ASP LYS LEU TYR PRO PHE
SEQRES 9 A 1159 THR TRP ASP ALA VAL ARG TYR ASN GLY LYS LEU ILE ALA
SEQRES 10 A 1159 TYR PRO ILE ALA VAL GLU ALA LEU SER LEU ILE TYR ASN
SEQRES 11 A 1159 LYS ASP LEU LEU PRO ASN PRO PRO LYS THR TRP GLU GLU
SEQRES 12 A 1159 ILE PRO ALA LEU ASP LYS GLU LEU LYS ALA LYS GLY LYS
SEQRES 13 A 1159 SER ALA LEU MET PHE ASN LEU GLN GLU PRO TYR PHE THR
SEQRES 14 A 1159 TRP PRO LEU ILE ALA ALA ASP GLY GLY TYR ALA PHE LYS
SEQRES 15 A 1159 TYR GLU ASN GLY LYS TYR ASP ILE LYS ASP VAL GLY VAL
SEQRES 16 A 1159 ASP ASN ALA GLY ALA LYS ALA GLY LEU THR PHE LEU VAL
SEQRES 17 A 1159 ASP LEU ILE LYS ASN LYS HIS MET ASN ALA ASP THR ASP
SEQRES 18 A 1159 TYR SER ILE ALA GLU ALA ALA PHE ASN LYS GLY GLU THR
SEQRES 19 A 1159 ALA MET THR ILE ASN GLY PRO TRP ALA TRP SER ASN ILE
SEQRES 20 A 1159 ASP THR SER LYS VAL ASN TYR GLY VAL THR VAL LEU PRO
SEQRES 21 A 1159 THR PHE LYS GLY GLN PRO SER LYS PRO PHE VAL GLY VAL
SEQRES 22 A 1159 LEU SER ALA GLY ILE ASN ALA ALA SER PRO ASN LYS GLU
SEQRES 23 A 1159 LEU ALA LYS GLU PHE LEU GLU ASN TYR LEU LEU THR ASP
SEQRES 24 A 1159 GLU GLY LEU GLU ALA VAL ASN LYS ASP LYS PRO LEU GLY
SEQRES 25 A 1159 ALA VAL ALA LEU LYS SER TYR GLU GLU GLU LEU ALA LYS
SEQRES 26 A 1159 ASP PRO ARG ILE ALA ALA THR MET GLU ASN ALA GLN LYS
SEQRES 27 A 1159 GLY GLU ILE MET PRO ASN ILE PRO GLN MET SER ALA PHE
SEQRES 28 A 1159 TRP TYR ALA VAL ARG THR ALA VAL ILE ASN ALA ALA SER
SEQRES 29 A 1159 GLY ARG GLN THR VAL ASP GLU ALA LEU LYS ASP ALA GLN
SEQRES 30 A 1159 THR GLY THR ASP TYR ASP ILE PRO THR THR LEU GLU VAL
SEQRES 31 A 1159 LEU PHE GLN GLY PRO LEU GLY SER ARG CYS GLN ARG ASP
SEQRES 32 A 1159 HIS LEU SER THR LYS LEU ILE PRO THR GLU VAL PRO ALA
SEQRES 33 A 1159 ASP LEU ILE ARG ALA VAL THR CYS GLN VAL CYS ASP HIS
SEQRES 34 A 1159 LEU LEU SER ASP PRO VAL GLN SER PRO CYS ARG HIS LEU
SEQRES 35 A 1159 PHE CYS ARG LEU CYS ILE ILE ARG TYR THR HIS ALA LEU
SEQRES 36 A 1159 GLY PRO ASN CYS PRO THR CYS ASN GLN HIS LEU ASN PRO
SEQRES 37 A 1159 SER HIS LEU ILE LYS PRO ALA LYS PHE PHE LEU ALA THR
SEQRES 38 A 1159 LEU SER SER LEU PRO LEU LEU CYS PRO SER GLU GLU CYS
SEQRES 39 A 1159 SER ASP TRP VAL ARG LEU ASP SER PHE ARG GLU HIS CYS
SEQRES 40 A 1159 LEU ASN HIS TYR ARG GLU LYS GLU SER GLN GLU GLU GLN
SEQRES 41 A 1159 THR PRO SER GLU GLN ASN LEU ASP GLY TYR LEU PRO VAL
SEQRES 42 A 1159 ASN LYS GLY GLY ARG PRO ARG GLN HIS LEU LEU SER LEU
SEQRES 43 A 1159 THR ARG ARG ALA GLN LYS HIS ARG LEU ARG ASP LEU LYS
SEQRES 44 A 1159 ASN GLN VAL LYS THR PHE ALA GLU LYS GLU GLU GLY GLY
SEQRES 45 A 1159 ASP VAL LYS SER VAL CYS LEU THR LEU PHE LEU LEU ALA
SEQRES 46 A 1159 LEU ARG ALA GLY ASN GLU HIS ARG GLN ALA ASP GLU LEU
SEQRES 47 A 1159 GLU ALA MET MET GLN GLY ARG GLY PHE GLY LEU HIS PRO
SEQRES 48 A 1159 ALA VAL CYS LEU ALA ILE ARG VAL ASN THR PHE LEU SER
SEQRES 49 A 1159 CYS SER GLN TYR HIS LYS MET TYR ARG THR VAL LYS ALA
SEQRES 50 A 1159 THR SER GLY ARG GLN ILE PHE GLN PRO LEU HIS THR LEU
SEQRES 51 A 1159 ARG ASN ALA GLU LYS GLU LEU LEU PRO GLY PHE HIS GLN
SEQRES 52 A 1159 PHE GLU TRP GLN PRO ALA LEU LYS ASN VAL SER THR SER
SEQRES 53 A 1159 TRP ASP VAL GLY ILE ILE ASP GLY LEU SER GLY TRP THR
SEQRES 54 A 1159 VAL SER VAL ASP ASP VAL PRO ALA ASP THR ILE SER ARG
SEQRES 55 A 1159 ARG PHE ARG TYR ASP VAL ALA LEU VAL SER ALA LEU LYS
SEQRES 56 A 1159 ASP LEU GLU GLU ASP ILE MET GLU GLY LEU ARG GLU ARG
SEQRES 57 A 1159 ALA LEU ASP ASP SER MET CYS THR SER GLY PHE THR VAL
SEQRES 58 A 1159 VAL VAL LYS GLU SER CYS ASP GLY MET GLY ASP VAL SER
SEQRES 59 A 1159 GLU LYS HIS GLY SER GLY PRO ALA VAL PRO GLU LYS ALA
SEQRES 60 A 1159 VAL ARG PHE SER PHE THR ILE MET SER ILE SER ILE ARG
SEQRES 61 A 1159 LEU GLU GLY GLU ASP ASP GLY ILE THR ILE PHE GLN GLU
SEQRES 62 A 1159 GLN LYS PRO ASN SER GLU LEU SER CYS ARG PRO LEU CYS
SEQRES 63 A 1159 LEU MET PHE VAL ASP GLU SER ASP HIS GLU THR LEU THR
SEQRES 64 A 1159 ALA ILE LEU GLY PRO VAL VAL ALA GLU ARG LYS ALA MET
SEQRES 65 A 1159 MET GLU SER ARG LEU ILE ILE SER VAL GLY GLY LEU LEU
SEQRES 66 A 1159 ARG SER PHE ARG PHE PHE PHE ARG GLY THR GLY TYR ASP
SEQRES 67 A 1159 GLU LYS MET VAL ARG GLU MET GLU GLY LEU GLU ALA SER
SEQRES 68 A 1159 GLY SER THR TYR ILE CYS THR LEU CYS ASP SER THR ARG
SEQRES 69 A 1159 ALA GLU ALA SER GLN ASN MET VAL LEU HIS SER ILE THR
SEQRES 70 A 1159 ARG SER HIS ASP GLU ASN LEU GLU ARG TYR GLU ILE TRP
SEQRES 71 A 1159 ARG LYS ASN PRO PHE SER GLU SER ALA ASP GLU LEU ARG
SEQRES 72 A 1159 ASP ARG VAL LYS GLY VAL SER ALA LYS PRO PHE MET GLU
SEQRES 73 A 1159 THR GLN PRO THR LEU ASP ALA LEU HIS CYS ASP ILE GLY
SEQRES 74 A 1159 ASN ALA THR GLU PHE TYR LYS ILE PHE GLN ASP GLU ILE
SEQRES 75 A 1159 GLY GLU VAL TYR GLN LYS PRO ASN PRO SER ARG GLU GLU
SEQRES 76 A 1159 ARG ARG ARG TRP ARG SER THR LEU ASP LYS GLN LEU ARG
SEQRES 77 A 1159 LYS LYS MET LYS LEU LYS PRO VAL MET ARG MET ASN GLY
SEQRES 78 A 1159 ASN TYR ALA ARG ARG LEU MET THR ARG GLU ALA VAL GLU
SEQRES 79 A 1159 ALA VAL CYS GLU LEU VAL PRO SER GLU GLU ARG ARG GLU
SEQRES 80 A 1159 ALA LEU LEU LYS LEU MET ASP LEU TYR LEU GLN MET LYS
SEQRES 81 A 1159 PRO VAL TRP ARG SER THR CYS PRO SER ARG ASP CYS PRO
SEQRES 82 A 1159 ASP GLN LEU CYS GLN TYR SER TYR ASN SER GLN GLN PHE
SEQRES 83 A 1159 ALA ASP LEU LEU SER SER MET PHE LYS TYR ARG TYR ASP
SEQRES 84 A 1159 GLY LYS ILE THR ASN TYR LEU HIS LYS THR LEU ALA HIS
SEQRES 85 A 1159 VAL PRO GLU ILE VAL GLU ARG ASP GLY SER ILE GLY ALA
SEQRES 86 A 1159 TRP ALA SER GLU GLY ASN GLU SER GLY ASN LYS LEU PHE
SEQRES 87 A 1159 ARG ARG PHE ARG LYS MET ASN ALA ARG GLN SER LYS THR
SEQRES 88 A 1159 PHE GLU LEU GLU ASP ILE LEU LYS HIS HIS TRP LEU TYR
SEQRES 89 A 1159 THR SER LYS TYR LEU GLN LYS PHE MET GLU ALA HIS LYS
SEQRES 90 A 1159 ASN SER
SEQRES 1 B 533 GLY GLY SER MET SER LEU GLN PRO LEU THR ALA VAL ASN
SEQRES 2 B 533 CYS GLY SER LEU VAL GLN PRO GLY PHE SER LEU LEU ASP
SEQRES 3 B 533 LEU GLU GLY ASP VAL TYR LEU PHE GLY GLN LYS GLY TRP
SEQRES 4 B 533 PRO LYS ARG SER CYS PRO THR GLY ILE PHE GLY VAL ARG
SEQRES 5 B 533 ILE LYS LYS GLY GLU LEU LYS LEU ARG ALA ILE SER PHE
SEQRES 6 B 533 SER ASN ASN SER SER TYR LEU PRO PRO LEU ARG CYS PRO
SEQRES 7 B 533 ALA ILE ALA HIS PHE GLU ALA GLN ASP GLY LYS PRO GLU
SEQRES 8 B 533 CYS TYR LEU ILE HIS GLY GLY ARG THR PRO ASN ASN GLU
SEQRES 9 B 533 LEU SER SER SER LEU TYR MET LEU SER VAL ASP SER ARG
SEQRES 10 B 533 GLY CYS ASN ARG LYS VAL THR LEU ARG CYS GLU GLU LYS
SEQRES 11 B 533 GLU LEU VAL GLY ASP VAL PRO SER ALA ARG TYR GLY HIS
SEQRES 12 B 533 THR LEU SER VAL ILE ASN SER ARG GLY LYS THR ALA CYS
SEQRES 13 B 533 VAL LEU PHE GLY GLY ARG SER TYR MET PRO PRO THR GLU
SEQRES 14 B 533 ARG THR THR GLN ASN TRP ASN SER VAL VAL ASP CYS PRO
SEQRES 15 B 533 PRO GLN VAL TYR LEU ILE ASP LEU GLU PHE GLY CYS CYS
SEQRES 16 B 533 THR ALA HIS THR LEU PRO GLU LEU THR ASP GLY GLN SER
SEQRES 17 B 533 PHE HIS VAL ALA LEU ALA ARG GLN ASP CYS VAL TYR PHE
SEQRES 18 B 533 LEU GLY GLY HIS ILE LEU SER SER ASP CYS ARG PRO SER
SEQRES 19 B 533 ARG LEU ILE ARG LEU HIS VAL GLU LEU LEU LEU GLY SER
SEQRES 20 B 533 PRO VAL LEU THR CYS THR ILE LEU HIS GLU GLY LEU THR
SEQRES 21 B 533 ILE THR SER ALA ILE ALA SER PRO ILE GLY TYR HIS GLU
SEQRES 22 B 533 TYR ILE ILE PHE GLY GLY TYR GLN SER GLU THR GLN LYS
SEQRES 23 B 533 ARG MET GLU CYS THR TYR VAL GLY LEU ASP ASP VAL GLY
SEQRES 24 B 533 VAL HIS MET GLU SER ARG GLU PRO PRO GLN TRP THR SER
SEQRES 25 B 533 GLU ILE SER HIS SER ARG THR TRP PHE GLY GLY SER LEU
SEQRES 26 B 533 GLY LYS GLY THR ALA LEU VAL ALA ILE PRO SER GLU GLY
SEQRES 27 B 533 ASN PRO THR PRO PRO GLU ALA TYR HIS PHE TYR GLN VAL
SEQRES 28 B 533 SER PHE GLN LYS GLU GLN ASP GLY GLU ALA THR ALA GLN
SEQRES 29 B 533 GLY GLY SER GLN GLU SER THR ASP PHE GLU ASP SER ALA
SEQRES 30 B 533 PRO LEU GLU ASP SER GLU GLU LEU TYR PHE GLY ARG GLU
SEQRES 31 B 533 PRO HIS GLU LEU GLU TYR SER SER ASP VAL GLU GLY ASP
SEQRES 32 B 533 THR TYR ASN GLU GLU ASP GLU GLU ASP GLU SER GLN THR
SEQRES 33 B 533 GLY TYR TRP ILE LYS CYS CYS LEU SER CYS GLN VAL ASP
SEQRES 34 B 533 PRO ASN ILE TRP GLU PRO TYR TYR SER THR GLU LEU THR
SEQRES 35 B 533 ARG PRO ALA MET ILE PHE CYS SER ARG GLY GLU GLY GLY
SEQRES 36 B 533 HIS TRP VAL HIS ALA GLN CYS MET GLU LEU PRO GLU SER
SEQRES 37 B 533 LEU LEU LEU GLN LEU SER GLN ASP ASN SER LYS TYR PHE
SEQRES 38 B 533 CYS LEU ASP HIS GLY GLY LEU PRO LYS GLN GLU MET THR
SEQRES 39 B 533 PRO PRO LYS GLN MET LEU PRO VAL LYS ARG VAL PRO MET
SEQRES 40 B 533 LYS MET THR HIS ARG LYS ALA PRO VAL SER LEU LYS MET
SEQRES 41 B 533 THR PRO ALA LYS LYS THR PHE LEU ARG ARG LEU PHE ASP
SEQRES 1 C 1159 MET GLY SER SER HIS HIS HIS HIS HIS HIS GLY THR LYS
SEQRES 2 C 1159 THR GLU GLU GLY LYS LEU VAL ILE TRP ILE ASN GLY ASP
SEQRES 3 C 1159 LYS GLY TYR ASN GLY LEU ALA GLU VAL GLY LYS LYS PHE
SEQRES 4 C 1159 GLU LYS ASP THR GLY ILE LYS VAL THR VAL GLU HIS PRO
SEQRES 5 C 1159 ASP LYS LEU GLU GLU LYS PHE PRO GLN VAL ALA ALA THR
SEQRES 6 C 1159 GLY ASP GLY PRO ASP ILE ILE PHE TRP ALA HIS ASP ARG
SEQRES 7 C 1159 PHE GLY GLY TYR ALA GLN SER GLY LEU LEU ALA GLU ILE
SEQRES 8 C 1159 THR PRO ASP LYS ALA PHE GLN ASP LYS LEU TYR PRO PHE
SEQRES 9 C 1159 THR TRP ASP ALA VAL ARG TYR ASN GLY LYS LEU ILE ALA
SEQRES 10 C 1159 TYR PRO ILE ALA VAL GLU ALA LEU SER LEU ILE TYR ASN
SEQRES 11 C 1159 LYS ASP LEU LEU PRO ASN PRO PRO LYS THR TRP GLU GLU
SEQRES 12 C 1159 ILE PRO ALA LEU ASP LYS GLU LEU LYS ALA LYS GLY LYS
SEQRES 13 C 1159 SER ALA LEU MET PHE ASN LEU GLN GLU PRO TYR PHE THR
SEQRES 14 C 1159 TRP PRO LEU ILE ALA ALA ASP GLY GLY TYR ALA PHE LYS
SEQRES 15 C 1159 TYR GLU ASN GLY LYS TYR ASP ILE LYS ASP VAL GLY VAL
SEQRES 16 C 1159 ASP ASN ALA GLY ALA LYS ALA GLY LEU THR PHE LEU VAL
SEQRES 17 C 1159 ASP LEU ILE LYS ASN LYS HIS MET ASN ALA ASP THR ASP
SEQRES 18 C 1159 TYR SER ILE ALA GLU ALA ALA PHE ASN LYS GLY GLU THR
SEQRES 19 C 1159 ALA MET THR ILE ASN GLY PRO TRP ALA TRP SER ASN ILE
SEQRES 20 C 1159 ASP THR SER LYS VAL ASN TYR GLY VAL THR VAL LEU PRO
SEQRES 21 C 1159 THR PHE LYS GLY GLN PRO SER LYS PRO PHE VAL GLY VAL
SEQRES 22 C 1159 LEU SER ALA GLY ILE ASN ALA ALA SER PRO ASN LYS GLU
SEQRES 23 C 1159 LEU ALA LYS GLU PHE LEU GLU ASN TYR LEU LEU THR ASP
SEQRES 24 C 1159 GLU GLY LEU GLU ALA VAL ASN LYS ASP LYS PRO LEU GLY
SEQRES 25 C 1159 ALA VAL ALA LEU LYS SER TYR GLU GLU GLU LEU ALA LYS
SEQRES 26 C 1159 ASP PRO ARG ILE ALA ALA THR MET GLU ASN ALA GLN LYS
SEQRES 27 C 1159 GLY GLU ILE MET PRO ASN ILE PRO GLN MET SER ALA PHE
SEQRES 28 C 1159 TRP TYR ALA VAL ARG THR ALA VAL ILE ASN ALA ALA SER
SEQRES 29 C 1159 GLY ARG GLN THR VAL ASP GLU ALA LEU LYS ASP ALA GLN
SEQRES 30 C 1159 THR GLY THR ASP TYR ASP ILE PRO THR THR LEU GLU VAL
SEQRES 31 C 1159 LEU PHE GLN GLY PRO LEU GLY SER ARG CYS GLN ARG ASP
SEQRES 32 C 1159 HIS LEU SER THR LYS LEU ILE PRO THR GLU VAL PRO ALA
SEQRES 33 C 1159 ASP LEU ILE ARG ALA VAL THR CYS GLN VAL CYS ASP HIS
SEQRES 34 C 1159 LEU LEU SER ASP PRO VAL GLN SER PRO CYS ARG HIS LEU
SEQRES 35 C 1159 PHE CYS ARG LEU CYS ILE ILE ARG TYR THR HIS ALA LEU
SEQRES 36 C 1159 GLY PRO ASN CYS PRO THR CYS ASN GLN HIS LEU ASN PRO
SEQRES 37 C 1159 SER HIS LEU ILE LYS PRO ALA LYS PHE PHE LEU ALA THR
SEQRES 38 C 1159 LEU SER SER LEU PRO LEU LEU CYS PRO SER GLU GLU CYS
SEQRES 39 C 1159 SER ASP TRP VAL ARG LEU ASP SER PHE ARG GLU HIS CYS
SEQRES 40 C 1159 LEU ASN HIS TYR ARG GLU LYS GLU SER GLN GLU GLU GLN
SEQRES 41 C 1159 THR PRO SER GLU GLN ASN LEU ASP GLY TYR LEU PRO VAL
SEQRES 42 C 1159 ASN LYS GLY GLY ARG PRO ARG GLN HIS LEU LEU SER LEU
SEQRES 43 C 1159 THR ARG ARG ALA GLN LYS HIS ARG LEU ARG ASP LEU LYS
SEQRES 44 C 1159 ASN GLN VAL LYS THR PHE ALA GLU LYS GLU GLU GLY GLY
SEQRES 45 C 1159 ASP VAL LYS SER VAL CYS LEU THR LEU PHE LEU LEU ALA
SEQRES 46 C 1159 LEU ARG ALA GLY ASN GLU HIS LYS GLN ALA ASP GLU LEU
SEQRES 47 C 1159 GLU ALA MET MET GLN GLY ARG GLY PHE GLY LEU HIS PRO
SEQRES 48 C 1159 ALA VAL CYS LEU ALA ILE ARG VAL ASN THR PHE LEU SER
SEQRES 49 C 1159 CYS SER GLN TYR HIS LYS MET TYR ARG THR VAL LYS ALA
SEQRES 50 C 1159 THR SER GLY ARG GLN ILE PHE GLN PRO LEU HIS THR LEU
SEQRES 51 C 1159 ARG ASN ALA GLU LYS GLU LEU LEU PRO GLY PHE HIS GLN
SEQRES 52 C 1159 PHE GLU TRP GLN PRO ALA LEU LYS ASN VAL SER THR SER
SEQRES 53 C 1159 TRP ASP VAL GLY ILE ILE ASP GLY LEU SER GLY TRP THR
SEQRES 54 C 1159 VAL SER VAL ASP ASP VAL PRO ALA ASP THR ILE SER ARG
SEQRES 55 C 1159 ARG PHE ARG TYR ASP VAL ALA LEU VAL SER ALA LEU LYS
SEQRES 56 C 1159 ASP LEU GLU GLU ASP ILE MET GLU GLY LEU ARG GLU ARG
SEQRES 57 C 1159 ALA LEU ASP ASP SER MET CYS THR SER GLY PHE THR VAL
SEQRES 58 C 1159 VAL VAL LYS GLU SER CYS ASP GLY MET GLY ASP VAL SER
SEQRES 59 C 1159 GLU LYS HIS GLY SER GLY PRO ALA VAL PRO GLU LYS ALA
SEQRES 60 C 1159 VAL ARG PHE SER PHE THR ILE MET SER ILE SER ILE ARG
SEQRES 61 C 1159 LEU GLU GLY GLU ASP ASP GLY ILE THR ILE PHE GLN GLU
SEQRES 62 C 1159 GLN LYS PRO ASN SER GLU LEU SER CYS ARG PRO LEU CYS
SEQRES 63 C 1159 LEU MET PHE VAL ASP GLU SER ASP HIS GLU THR LEU THR
SEQRES 64 C 1159 ALA ILE LEU GLY PRO VAL VAL ALA GLU ARG LYS ALA MET
SEQRES 65 C 1159 MET GLU SER ARG LEU ILE ILE SER VAL GLY GLY LEU LEU
SEQRES 66 C 1159 ARG SER PHE ARG PHE PHE PHE ARG GLY THR GLY TYR ASP
SEQRES 67 C 1159 GLU LYS MET VAL ARG GLU MET GLU GLY LEU GLU ALA SER
SEQRES 68 C 1159 GLY SER THR TYR ILE CYS THR LEU CYS ASP SER THR ARG
SEQRES 69 C 1159 ALA GLU ALA SER GLN ASN MET VAL LEU HIS SER ILE THR
SEQRES 70 C 1159 ARG SER HIS ASP GLU ASN LEU GLU ARG TYR GLU ILE TRP
SEQRES 71 C 1159 ARG LYS ASN PRO PHE SER GLU SER ALA ASP GLU LEU ARG
SEQRES 72 C 1159 ASP ARG VAL LYS GLY VAL SER ALA LYS PRO PHE MET GLU
SEQRES 73 C 1159 THR GLN PRO THR LEU ASP ALA LEU HIS CYS ASP ILE GLY
SEQRES 74 C 1159 ASN ALA THR GLU PHE TYR LYS ILE PHE GLN ASP GLU ILE
SEQRES 75 C 1159 GLY GLU VAL TYR GLN LYS PRO ASN PRO SER ARG GLU GLU
SEQRES 76 C 1159 ARG ARG ARG TRP ARG SER THR LEU ASP LYS GLN LEU ARG
SEQRES 77 C 1159 LYS LYS MET LYS LEU LYS PRO VAL MET ARG MET ASN GLY
SEQRES 78 C 1159 ASN TYR ALA ARG ARG LEU MET THR ARG GLU ALA VAL GLU
SEQRES 79 C 1159 ALA VAL CYS GLU LEU VAL PRO SER GLU GLU ARG ARG GLU
SEQRES 80 C 1159 ALA LEU LEU LYS LEU MET ASP LEU TYR LEU GLN MET LYS
SEQRES 81 C 1159 PRO VAL TRP ARG SER THR CYS PRO SER ARG ASP CYS PRO
SEQRES 82 C 1159 ASP GLN LEU CYS GLN TYR SER TYR ASN SER GLN GLN PHE
SEQRES 83 C 1159 ALA ASP LEU LEU SER SER MET PHE LYS TYR ARG TYR ASP
SEQRES 84 C 1159 GLY LYS ILE THR ASN TYR LEU HIS LYS THR LEU ALA HIS
SEQRES 85 C 1159 VAL PRO GLU ILE VAL GLU ARG ASP GLY SER ILE GLY ALA
SEQRES 86 C 1159 TRP ALA SER GLU GLY ASN GLU SER GLY ASN LYS LEU PHE
SEQRES 87 C 1159 ARG ARG PHE ARG LYS MET ASN ALA ARG GLN SER LYS THR
SEQRES 88 C 1159 PHE GLU LEU GLU ASP ILE LEU LYS HIS HIS TRP LEU TYR
SEQRES 89 C 1159 THR SER LYS TYR LEU GLN LYS PHE MET GLU ALA HIS LYS
SEQRES 90 C 1159 ASN SER
SEQRES 1 D 533 GLY GLY SER MET SER LEU GLN PRO LEU THR ALA VAL ASN
SEQRES 2 D 533 CYS GLY SER LEU VAL GLN PRO GLY PHE SER LEU LEU ASP
SEQRES 3 D 533 LEU GLU GLY ASP VAL TYR LEU PHE GLY GLN LYS GLY TRP
SEQRES 4 D 533 PRO LYS ARG SER CYS PRO THR GLY ILE PHE GLY VAL ARG
SEQRES 5 D 533 ILE LYS LYS GLY GLU LEU LYS LEU ARG ALA ILE SER PHE
SEQRES 6 D 533 SER ASN ASN SER SER TYR LEU PRO PRO LEU ARG CYS PRO
SEQRES 7 D 533 ALA ILE ALA HIS PHE GLU ALA GLN ASP GLY LYS PRO GLU
SEQRES 8 D 533 CYS TYR LEU ILE HIS GLY GLY ARG THR PRO ASN ASN GLU
SEQRES 9 D 533 LEU SER SER SER LEU TYR MET LEU SER VAL ASP SER ARG
SEQRES 10 D 533 GLY CYS ASN ARG LYS VAL THR LEU ARG CYS GLU GLU LYS
SEQRES 11 D 533 GLU LEU VAL GLY ASP VAL PRO SER ALA ARG TYR GLY HIS
SEQRES 12 D 533 THR LEU SER VAL ILE ASN SER ARG GLY LYS THR ALA CYS
SEQRES 13 D 533 VAL LEU PHE GLY GLY ARG SER TYR MET PRO PRO THR GLU
SEQRES 14 D 533 ARG THR THR GLN ASN TRP ASN SER VAL VAL ASP CYS PRO
SEQRES 15 D 533 PRO GLN VAL TYR LEU ILE ASP LEU GLU PHE GLY CYS CYS
SEQRES 16 D 533 THR ALA HIS THR LEU PRO GLU LEU THR ASP GLY GLN SER
SEQRES 17 D 533 PHE HIS VAL ALA LEU ALA ARG GLN ASP CYS VAL TYR PHE
SEQRES 18 D 533 LEU GLY GLY HIS ILE LEU SER SER ASP CYS ARG PRO SER
SEQRES 19 D 533 ARG LEU ILE ARG LEU HIS VAL GLU LEU LEU LEU GLY SER
SEQRES 20 D 533 PRO VAL LEU THR CYS THR ILE LEU HIS GLU GLY LEU THR
SEQRES 21 D 533 ILE THR SER ALA ILE ALA SER PRO ILE GLY TYR HIS GLU
SEQRES 22 D 533 TYR ILE ILE PHE GLY GLY TYR GLN SER GLU THR GLN LYS
SEQRES 23 D 533 ARG MET GLU CYS THR TYR VAL GLY LEU ASP ASP VAL GLY
SEQRES 24 D 533 VAL HIS MET GLU SER ARG GLU PRO PRO GLN TRP THR SER
SEQRES 25 D 533 GLU ILE SER HIS SER ARG THR TRP PHE GLY GLY SER LEU
SEQRES 26 D 533 GLY LYS GLY THR ALA LEU VAL ALA ILE PRO SER GLU GLY
SEQRES 27 D 533 ASN PRO THR PRO PRO GLU ALA TYR HIS PHE TYR GLN VAL
SEQRES 28 D 533 SER PHE GLN LYS GLU GLN ASP GLY GLU ALA THR ALA GLN
SEQRES 29 D 533 GLY GLY SER GLN GLU SER THR ASP PHE GLU ASP SER ALA
SEQRES 30 D 533 PRO LEU GLU ASP SER GLU GLU LEU TYR PHE GLY ARG GLU
SEQRES 31 D 533 PRO HIS GLU LEU GLU TYR SER SER ASP VAL GLU GLY ASP
SEQRES 32 D 533 THR TYR ASN GLU GLU ASP GLU GLU ASP GLU SER GLN THR
SEQRES 33 D 533 GLY TYR TRP ILE LYS CYS CYS LEU SER CYS GLN VAL ASP
SEQRES 34 D 533 PRO ASN ILE TRP GLU PRO TYR TYR SER THR GLU LEU THR
SEQRES 35 D 533 ARG PRO ALA MET ILE PHE CYS SER ARG GLY GLU GLY GLY
SEQRES 36 D 533 HIS TRP VAL HIS ALA GLN CYS MET GLU LEU PRO GLU SER
SEQRES 37 D 533 LEU LEU LEU GLN LEU SER GLN ASP ASN SER LYS TYR PHE
SEQRES 38 D 533 CYS LEU ASP HIS GLY GLY LEU PRO LYS GLN GLU MET THR
SEQRES 39 D 533 PRO PRO LYS GLN MET LEU PRO VAL LYS ARG VAL PRO MET
SEQRES 40 D 533 LYS MET THR HIS ARG LYS ALA PRO VAL SER LEU LYS MET
SEQRES 41 D 533 THR PRO ALA LYS LYS THR PHE LEU ARG ARG LEU PHE ASP
SEQRES 1 E 50 DG DA DT DC DT DG DG DC DC DT DG DT DC
SEQRES 2 E 50 DT DT DA DC DA DC DA DG DT DG DC DT DA
SEQRES 3 E 50 DC DA DG DA DC DT DG DG DA DA DC DA DA
SEQRES 4 E 50 DA DA DA DC DC DC DT DG DC DA DG
SEQRES 1 F 50 DC DT DG DC DA DG DG DG DT DT DT DT DT
SEQRES 2 F 50 DG DT DT DC DC DA DG DT DC DT DG DT DA
SEQRES 3 F 50 DG DC DA DC DT DG DT DG DT DA DA DG DA
SEQRES 4 F 50 DC DA DG DG DC DC DA DG DA DT DC
SEQRES 1 G 61 DG DA DT DC DT DG DG DC DC DT DG DT DC
SEQRES 2 G 61 DT DT DA DC DA DC DA DG DT DG DG DT DA
SEQRES 3 G 61 DG DT DA DC DT DC DC DA DC DT DG DT DC
SEQRES 4 G 61 DT DG DG DC DT DG DT DA DC DA DA DA DA
SEQRES 5 G 61 DA DC DC DC DT DG DC DA DG
SEQRES 1 H 61 DC DT DG DC DA DG DG DG DT DT DT DT DT
SEQRES 2 H 61 DG DT DA DC DA DG DC DC DA DG DA DC DA
SEQRES 3 H 61 DG DT DG DG DA DG DT DA DC DT DA DC DC
SEQRES 4 H 61 DA DC DT DG DT DG DT DA DA DG DA DC DA
SEQRES 5 H 61 DG DG DC DC DA DG DA DT DC
HET ZN A1101 1
HET CA A1102 1
HET CA A1103 1
HET ZN C1101 1
HET CA C1102 1
HET CA C1103 1
HETNAM ZN ZINC ION
HETNAM CA CALCIUM ION
FORMUL 9 ZN 2(ZN 2+)
FORMUL 10 CA 4(CA 2+)
HELIX 1 AA1 THR A 419 GLU A 442 1 24
HELIX 2 AA2 VAL A 446 ALA A 460 1 15
HELIX 3 AA3 GLU A 463 MET A 474 1 12
HELIX 4 AA4 HIS A 482 ASN A 492 1 11
HELIX 5 AA5 SER A 496 THR A 510 1 15
HELIX 6 AA6 PRO A 518 ARG A 523 1 6
HELIX 7 AA7 ARG A 577 ARG A 600 1 24
HELIX 8 AA8 SER A 670 CYS A 674 5 5
HELIX 9 AA9 ASP A 686 MET A 705 1 20
HELIX 10 AB1 ASP A 730 GLY A 739 1 10
HELIX 11 AB2 ALA A 757 ASN A 762 1 6
HELIX 12 AB3 SER A 771 ASN A 785 1 15
HELIX 13 AB4 SER A 790 VAL A 798 1 9
HELIX 14 AB5 ALA A 815 GLY A 835 1 21
HELIX 15 AB6 SER A 844 LYS A 862 1 19
HELIX 16 AB7 ASN A 872 LEU A 879 1 8
HELIX 17 AB8 THR A 881 GLU A 890 1 10
HELIX 18 AB9 SER A 894 LYS A 912 1 19
HELIX 19 AC1 LYS A 912 SER A 917 1 6
HELIX 20 AC2 CYS A 919 CYS A 924 1 6
HELIX 21 AC3 CYS A 924 GLN A 930 1 7
HELIX 22 AC4 GLN A 930 LYS A 947 1 18
HELIX 23 AC5 THR A 955 HIS A 964 1 10
HELIX 24 AC6 HIS A 964 ASP A 972 1 9
HELIX 25 AC7 SER A 980 ASN A 987 1 8
HELIX 26 AC8 ASN A 987 ASN A 997 1 11
HELIX 27 AC9 SER A 1001 SER A 1018 1 18
HELIX 28 AD1 SER A 1018 ALA A 1027 1 10
HELIX 29 AD2 PRO B 163 ARG B 167 5 5
HELIX 30 AD3 THR B 168 TRP B 172 5 5
HELIX 31 AD4 THR B 308 HIS B 313 1 6
HELIX 32 AD5 THR C 419 GLU C 441 1 23
HELIX 33 AD6 ASP C 445 ARG C 459 1 15
HELIX 34 AD7 ALA C 460 ASN C 462 5 3
HELIX 35 AD8 GLU C 463 MET C 473 1 11
HELIX 36 AD9 HIS C 482 ASN C 492 1 11
HELIX 37 AE1 SER C 496 SER C 511 1 16
HELIX 38 AE2 PRO C 518 LYS C 527 1 10
HELIX 39 AE3 ARG C 577 ARG C 600 1 24
HELIX 40 AE4 SER C 670 CYS C 674 5 5
HELIX 41 AE5 ASP C 686 ALA C 703 1 18
HELIX 42 AE6 ASP C 730 MET C 737 1 8
HELIX 43 AE7 THR C 755 ASN C 762 1 8
HELIX 44 AE8 SER C 771 ASN C 785 1 15
HELIX 45 AE9 SER C 790 LYS C 799 1 10
HELIX 46 AF1 ASP C 819 GLY C 835 1 17
HELIX 47 AF2 SER C 844 MET C 863 1 20
HELIX 48 AF3 ASN C 872 MET C 880 1 9
HELIX 49 AF4 THR C 881 CYS C 889 1 9
HELIX 50 AF5 SER C 894 SER C 917 1 24
HELIX 51 AF6 CYS C 924 GLN C 930 1 7
HELIX 52 AF7 GLN C 930 PHE C 946 1 17
HELIX 53 AF8 THR C 955 ASP C 972 1 18
HELIX 54 AF9 ILE C 975 ALA C 979 5 5
HELIX 55 AG1 SER C 980 ALA C 998 1 19
HELIX 56 AG2 SER C 1001 THR C 1017 1 17
HELIX 57 AG3 SER C 1018 PHE C 1024 1 7
HELIX 58 AG4 THR D 308 SER D 314 1 7
SHEET 1 AA1 8 PHE A 536 GLN A 539 0
SHEET 2 AA1 8 ARG A 708 VAL A 713 -1 O ILE A 710 N GLU A 537
SHEET 3 AA1 8 LEU A 716 GLY A 728 -1 O LEU A 716 N VAL A 713
SHEET 4 AA1 8 PHE A 611 MET A 622 1 N CYS A 619 O GLY A 728
SHEET 5 AA1 8 ALA A 639 ILE A 651 -1 O ALA A 639 N MET A 622
SHEET 6 AA1 8 ARG A 675 MET A 680 -1 O LEU A 677 N PHE A 642
SHEET 7 AA1 8 SER A 573 ARG A 575 -1 N ARG A 574 O LEU A 679
SHEET 8 AA1 8 ILE A 554 ASP A 555 -1 N ILE A 554 O ARG A 575
SHEET 1 AA2 6 PHE A 536 GLN A 539 0
SHEET 2 AA2 6 ARG A 708 VAL A 713 -1 O ILE A 710 N GLU A 537
SHEET 3 AA2 6 LEU A 716 GLY A 728 -1 O LEU A 716 N VAL A 713
SHEET 4 AA2 6 PHE A 611 MET A 622 1 N CYS A 619 O GLY A 728
SHEET 5 AA2 6 ALA A 639 ILE A 651 -1 O ALA A 639 N MET A 622
SHEET 6 AA2 6 ILE A 660 GLN A 664 -1 O ILE A 660 N ILE A 651
SHEET 1 AA3 4 SER B 2 PRO B 5 0
SHEET 2 AA3 4 TYR B 343 SER B 349 -1 O GLN B 347 N GLN B 4
SHEET 3 AA3 4 THR B 326 PRO B 332 -1 N VAL B 329 O TYR B 346
SHEET 4 AA3 4 PHE B 318 GLY B 323 -1 N GLY B 320 O LEU B 328
SHEET 1 AA4 5 THR B 7 ALA B 8 0
SHEET 2 AA4 5 GLU B 54 ALA B 59 1 O LEU B 55 N THR B 7
SHEET 3 AA4 5 ILE B 45 LYS B 51 -1 N ARG B 49 O LYS B 56
SHEET 4 AA4 5 VAL B 28 PHE B 31 -1 N LEU B 30 O PHE B 46
SHEET 5 AA4 5 SER B 20 ASP B 23 -1 N SER B 20 O PHE B 31
SHEET 1 AA5 4 ALA B 76 ALA B 78 0
SHEET 2 AA5 4 TYR B 90 HIS B 93 -1 O LEU B 91 N ALA B 78
SHEET 3 AA5 4 TYR B 107 VAL B 111 -1 O TYR B 107 N ILE B 92
SHEET 4 AA5 4 LEU B 122 GLU B 126 -1 O GLU B 125 N MET B 108
SHEET 1 AA6 2 ARG B 96 THR B 97 0
SHEET 2 AA6 2 GLU B 101 LEU B 102 -1 O GLU B 101 N THR B 97
SHEET 1 AA7 4 THR B 141 SER B 147 0
SHEET 2 AA7 4 LYS B 150 PHE B 156 -1 O PHE B 156 N THR B 141
SHEET 3 AA7 4 GLN B 181 ILE B 185 -1 O ILE B 185 N CYS B 153
SHEET 4 AA7 4 CYS B 192 THR B 196 -1 O HIS B 195 N VAL B 182
SHEET 1 AA8 2 ARG B 159 SER B 160 0
SHEET 2 AA8 2 VAL B 176 ASP B 177 -1 O VAL B 176 N SER B 160
SHEET 1 AA9 4 ALA B 209 ARG B 212 0
SHEET 2 AA9 4 CYS B 215 PHE B 218 -1 O TYR B 217 N LEU B 210
SHEET 3 AA9 4 ILE B 234 LEU B 240 -1 O ILE B 234 N PHE B 218
SHEET 4 AA9 4 PRO B 245 ILE B 251 -1 O THR B 248 N HIS B 237
SHEET 1 AB1 4 ALA B 263 PRO B 265 0
SHEET 2 AB1 4 TYR B 271 ILE B 273 -1 O ILE B 272 N SER B 264
SHEET 3 AB1 4 THR B 288 LEU B 292 -1 O VAL B 290 N TYR B 271
SHEET 4 AB1 4 VAL B 297 GLU B 300 -1 O HIS B 298 N GLY B 291
SHEET 1 AB2 7 GLU C 537 GLN C 539 0
SHEET 2 AB2 7 ARG C 708 VAL C 713 -1 O ARG C 708 N GLN C 539
SHEET 3 AB2 7 LEU C 716 PHE C 724 -1 O PHE C 720 N LEU C 709
SHEET 4 AB2 7 PHE C 611 MET C 622 1 N VAL C 613 O PHE C 723
SHEET 5 AB2 7 ALA C 639 ILE C 651 -1 O ALA C 639 N MET C 622
SHEET 6 AB2 7 ARG C 675 MET C 680 -1 O CYS C 678 N PHE C 642
SHEET 7 AB2 7 SER C 573 ARG C 575 -1 N ARG C 574 O LEU C 679
SHEET 1 AB3 6 GLU C 537 GLN C 539 0
SHEET 2 AB3 6 ARG C 708 VAL C 713 -1 O ARG C 708 N GLN C 539
SHEET 3 AB3 6 LEU C 716 PHE C 724 -1 O PHE C 720 N LEU C 709
SHEET 4 AB3 6 PHE C 611 MET C 622 1 N VAL C 613 O PHE C 723
SHEET 5 AB3 6 ALA C 639 ILE C 651 -1 O ALA C 639 N MET C 622
SHEET 6 AB3 6 PHE C 663 GLN C 664 -1 O PHE C 663 N ILE C 649
SHEET 1 AB4 8 SER D 20 ASP D 23 0
SHEET 2 AB4 8 VAL D 28 PHE D 31 -1 O TYR D 29 N LEU D 22
SHEET 3 AB4 8 PHE D 46 LYS D 51 -1 O PHE D 46 N LEU D 30
SHEET 4 AB4 8 GLU D 54 ALA D 59 -1 O LYS D 56 N ARG D 49
SHEET 5 AB4 8 SER D 2 ALA D 8 1 N THR D 7 O LEU D 55
SHEET 6 AB4 8 TYR D 343 SER D 349 -1 O GLN D 347 N GLN D 4
SHEET 7 AB4 8 THR D 326 PRO D 332 -1 N VAL D 329 O TYR D 346
SHEET 8 AB4 8 PHE D 318 GLY D 323 -1 N GLY D 320 O LEU D 328
SHEET 1 AB5 4 ALA D 76 PHE D 80 0
SHEET 2 AB5 4 CYS D 89 HIS D 93 -1 O CYS D 89 N PHE D 80
SHEET 3 AB5 4 LEU D 106 ARG D 114 -1 O TYR D 107 N ILE D 92
SHEET 4 AB5 4 VAL D 120 LYS D 127 -1 O LYS D 127 N LEU D 106
SHEET 1 AB6 4 THR D 141 SER D 147 0
SHEET 2 AB6 4 LYS D 150 PHE D 156 -1 O ALA D 152 N ILE D 145
SHEET 3 AB6 4 VAL D 182 ILE D 185 -1 O ILE D 185 N CYS D 153
SHEET 4 AB6 4 THR D 193 HIS D 195 -1 O HIS D 195 N VAL D 182
SHEET 1 AB7 2 ARG D 159 SER D 160 0
SHEET 2 AB7 2 VAL D 176 ASP D 177 -1 O VAL D 176 N SER D 160
SHEET 1 AB8 4 ALA D 209 ARG D 212 0
SHEET 2 AB8 4 CYS D 215 PHE D 218 -1 O TYR D 217 N LEU D 210
SHEET 3 AB8 4 ILE D 234 LEU D 241 -1 O LEU D 236 N VAL D 216
SHEET 4 AB8 4 SER D 244 ILE D 251 -1 O THR D 248 N HIS D 237
SHEET 1 AB9 4 ALA D 263 PRO D 265 0
SHEET 2 AB9 4 GLU D 270 ILE D 273 -1 O ILE D 272 N SER D 264
SHEET 3 AB9 4 THR D 288 ASP D 293 -1 O THR D 288 N ILE D 273
SHEET 4 AB9 4 GLY D 296 GLU D 300 -1 O HIS D 298 N GLY D 291
LINK OD2 ASP A 620 CA CA A1102 1555 1555 2.56
LINK SG CYS A 749 ZN ZN A1101 1555 1555 2.37
LINK NE2 HIS A 959 ZN ZN A1101 1555 1555 2.17
LINK NE2 HIS A 964 ZN ZN A1101 1555 1555 2.18
LINK OE1 GLU A 984 CA CA A1103 1555 1555 2.75
LINK OE2 GLU A 984 CA CA A1102 1555 1555 2.46
LINK OE2 GLU A 984 CA CA A1103 1555 1555 2.41
LINK OD1 ASP C 620 CA CA C1103 1555 1555 2.81
LINK OD2 ASP C 620 CA CA C1102 1555 1555 2.44
LINK OD2 ASP C 620 CA CA C1103 1555 1555 2.54
LINK NH2 ARG C 675 CZ2 TRP C1014 1555 1555 1.58
LINK NH2 ARG C 675 CH2 TRP C1014 1555 1555 1.29
LINK N SER C 767 ZN ZN C1101 1555 1555 2.20
LINK O SER C 767 ZN ZN C1101 1555 1555 2.38
LINK OE1 GLU C 984 CA CA C1102 1555 1555 3.17
LINK OE2 GLU C 984 CA CA C1102 1555 1555 3.07
LINK OP1 DC E 17 CA CA A1102 1555 1555 2.53
LINK OP1 DC E 17 CA CA A1103 1555 1555 3.11
LINK OP2 DC E 17 CA CA A1102 1555 1555 2.95
LINK OP2 DC E 17 CA CA A1103 1555 1555 2.50
LINK O5' DC E 17 CA CA A1103 1555 1555 3.06
CISPEP 1 GLN A 539 PRO A 540 0 -5.12
CISPEP 2 LEU A 653 GLU A 654 0 2.14
CISPEP 3 ALA A 742 SER A 743 0 1.70
CISPEP 4 ARG A 999 GLN A 1000 0 0.66
CISPEP 5 ASP B 84 GLY B 85 0 -0.05
CISPEP 6 PRO B 87 GLU B 88 0 -3.56
CISPEP 7 HIS B 93 GLY B 94 0 -3.58
CISPEP 8 ARG B 114 GLY B 115 0 -1.67
CISPEP 9 GLY B 115 CYS B 116 0 -2.40
CISPEP 10 GLY B 131 ASP B 132 0 0.52
CISPEP 11 ARG B 148 GLY B 149 0 -8.26
CISPEP 12 GLU B 188 PHE B 189 0 4.41
CISPEP 13 LEU B 242 GLY B 243 0 -5.36
CISPEP 14 ASN B 336 PRO B 337 0 -2.96
CISPEP 15 PRO B 339 PRO B 340 0 3.84
CISPEP 16 GLN C 539 PRO C 540 0 -6.79
CISPEP 17 LEU C 653 GLU C 654 0 5.11
CISPEP 18 ALA C 742 SER C 743 0 -2.46
CISPEP 19 ASP D 84 GLY D 85 0 7.99
CISPEP 20 PRO D 87 GLU D 88 0 -3.07
CISPEP 21 HIS D 93 GLY D 94 0 -9.61
CISPEP 22 ARG D 114 GLY D 115 0 -5.37
CISPEP 23 GLY D 115 CYS D 116 0 -1.89
CISPEP 24 GLY D 131 ASP D 132 0 0.00
CISPEP 25 ARG D 148 GLY D 149 0 -12.81
CISPEP 26 GLU D 188 PHE D 189 0 3.23
CISPEP 27 LEU D 242 GLY D 243 0 1.91
CISPEP 28 ASN D 336 PRO D 337 0 -5.56
CISPEP 29 PRO D 339 PRO D 340 0 9.30
SITE 1 AC1 4 CYS A 749 CYS A 752 HIS A 959 HIS A 964
SITE 1 AC2 5 ASP A 620 HIS A 817 GLU A 984 CA A1103
SITE 2 AC2 5 DC E 17
SITE 1 AC3 3 GLU A 984 CA A1102 DC E 17
SITE 1 AC4 5 CYS C 752 HIS C 766 SER C 767 ILE C 768
SITE 2 AC4 5 HIS C 964
SITE 1 AC5 4 ASP C 620 GLY C 621 GLU C 984 CA C1103
SITE 1 AC6 3 ASP C 620 ASP C 730 CA C1102
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
(ATOM LINES ARE NOT SHOWN.)
END