HEADER MEMBRANE PROTEIN 29-JUL-23 8TMC TITLE CRYO-EM STRUCTURE OF CORA IN COMPLEX WITH CONFORMATION-SPECIFIC TITLE 2 SYNTHETIC ANTIBODY C12 AND 20 MM MGCL2, STATE MG20-2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: COBALT/MAGNESIUM TRANSPORT PROTEIN CORA; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: SAB C12 HEAVY CHAIN; COMPND 7 CHAIN: H, F; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: SAB C12 LIGHT CHAIN; COMPND 11 CHAIN: L, G; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 GENE: CORA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG'; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 866768; SOURCE 7 MOL_ID: 2; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_TAXID: 9606; SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 11 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 12 MOL_ID: 3; SOURCE 13 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 511693 KEYWDS ION CHANNEL, MAGNESIUM CHANNEL, MEMBRANE PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR S.K.ERRAMILLI,E.PEROZO,A.A.KOSSIAKOFF REVDAT 1 12-FEB-25 8TMC 0 JRNL AUTH S.K.ERRAMILLI,K.NOSOL,K.PIETRZAK-LICHWA,T.LI,P.DUTKA,J.HOU, JRNL AUTH 2 M.ZHAO,E.PEROZO,A.A.KOSSIAKOFF JRNL TITL STRUCTURAL BASIS FOR CORA CHANNEL GATING USING JRNL TITL 2 CONFORMATION-SPECIFIC SYNTHETIC ANTIBODIES JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : RELION, EPU, RELION, COOT, PHENIX, REMARK 3 CRYOSPARC, RELION, CRYOSPARC 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) : 3.300 REMARK 3 NUMBER OF PARTICLES : 65774 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 8TMC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JUL-23. REMARK 100 THE DEPOSITION ID IS D_1000276150. 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 : CORA IN COMPLEX WITH REMARK 245 CONFORMATION-SPECIFIC SAB C12 REMARK 245 AND 20 MM MGCL2 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 : 4448 REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : FEI FALCON IV (4K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1000.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2500.00 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) : 4390.00 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: NONAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, H, L, F, G 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 -21 REMARK 465 GLY A -20 REMARK 465 SER A -19 REMARK 465 SER A -18 REMARK 465 HIS A -17 REMARK 465 HIS A -16 REMARK 465 HIS A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 SER A -11 REMARK 465 SER A -10 REMARK 465 GLY A -9 REMARK 465 ARG A -8 REMARK 465 GLU A -7 REMARK 465 ASN A -6 REMARK 465 LEU A -5 REMARK 465 TYR A -4 REMARK 465 PHE A -3 REMARK 465 GLN A -2 REMARK 465 GLY A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 GLU A 2 REMARK 465 GLU A 3 REMARK 465 LYS A 4 REMARK 465 ARG A 5 REMARK 465 LEU A 6 REMARK 465 MET B -21 REMARK 465 GLY B -20 REMARK 465 SER B -19 REMARK 465 SER B -18 REMARK 465 HIS B -17 REMARK 465 HIS B -16 REMARK 465 HIS B -15 REMARK 465 HIS B -14 REMARK 465 HIS B -13 REMARK 465 HIS B -12 REMARK 465 SER B -11 REMARK 465 SER B -10 REMARK 465 GLY B -9 REMARK 465 ARG B -8 REMARK 465 GLU B -7 REMARK 465 ASN B -6 REMARK 465 LEU B -5 REMARK 465 TYR B -4 REMARK 465 PHE B -3 REMARK 465 GLN B -2 REMARK 465 GLY B -1 REMARK 465 HIS B 0 REMARK 465 MET B 1 REMARK 465 GLU B 2 REMARK 465 GLU B 3 REMARK 465 LYS B 4 REMARK 465 ARG B 5 REMARK 465 MET C -21 REMARK 465 GLY C -20 REMARK 465 SER C -19 REMARK 465 SER C -18 REMARK 465 HIS C -17 REMARK 465 HIS C -16 REMARK 465 HIS C -15 REMARK 465 HIS C -14 REMARK 465 HIS C -13 REMARK 465 HIS C -12 REMARK 465 SER C -11 REMARK 465 SER C -10 REMARK 465 GLY C -9 REMARK 465 ARG C -8 REMARK 465 GLU C -7 REMARK 465 ASN C -6 REMARK 465 LEU C -5 REMARK 465 TYR C -4 REMARK 465 PHE C -3 REMARK 465 GLN C -2 REMARK 465 GLY C -1 REMARK 465 HIS C 0 REMARK 465 MET C 1 REMARK 465 GLU C 2 REMARK 465 GLU C 3 REMARK 465 LYS C 4 REMARK 465 ARG C 5 REMARK 465 LEU C 6 REMARK 465 SER C 7 REMARK 465 ALA C 8 REMARK 465 LYS C 9 REMARK 465 LYS C 10 REMARK 465 GLY C 11 REMARK 465 MET D -21 REMARK 465 GLY D -20 REMARK 465 SER D -19 REMARK 465 SER D -18 REMARK 465 HIS D -17 REMARK 465 HIS D -16 REMARK 465 HIS D -15 REMARK 465 HIS D -14 REMARK 465 HIS D -13 REMARK 465 HIS D -12 REMARK 465 SER D -11 REMARK 465 SER D -10 REMARK 465 GLY D -9 REMARK 465 ARG D -8 REMARK 465 GLU D -7 REMARK 465 ASN D -6 REMARK 465 LEU D -5 REMARK 465 TYR D -4 REMARK 465 PHE D -3 REMARK 465 GLN D -2 REMARK 465 GLY D -1 REMARK 465 HIS D 0 REMARK 465 MET D 1 REMARK 465 GLU D 2 REMARK 465 GLU D 3 REMARK 465 MET E -21 REMARK 465 GLY E -20 REMARK 465 SER E -19 REMARK 465 SER E -18 REMARK 465 HIS E -17 REMARK 465 HIS E -16 REMARK 465 HIS E -15 REMARK 465 HIS E -14 REMARK 465 HIS E -13 REMARK 465 HIS E -12 REMARK 465 SER E -11 REMARK 465 SER E -10 REMARK 465 GLY E -9 REMARK 465 ARG E -8 REMARK 465 GLU E -7 REMARK 465 ASN E -6 REMARK 465 LEU E -5 REMARK 465 TYR E -4 REMARK 465 PHE E -3 REMARK 465 GLN E -2 REMARK 465 GLY E -1 REMARK 465 HIS E 0 REMARK 465 MET E 1 REMARK 465 GLU E 2 REMARK 465 GLU E 3 REMARK 465 LEU E 351 REMARK 465 GLU H 1 REMARK 465 ILE H 2 REMARK 465 SER H 3 REMARK 465 ASN H 133 REMARK 465 GLN H 134 REMARK 465 ILE H 135 REMARK 465 LYS H 136 REMARK 465 GLY H 137 REMARK 465 PRO H 138 REMARK 465 SER H 139 REMARK 465 VAL H 140 REMARK 465 PHE H 141 REMARK 465 PRO H 142 REMARK 465 LEU H 143 REMARK 465 ALA H 144 REMARK 465 PRO H 145 REMARK 465 SER H 146 REMARK 465 SER H 147 REMARK 465 LYS H 148 REMARK 465 SER H 149 REMARK 465 THR H 150 REMARK 465 SER H 151 REMARK 465 GLY H 152 REMARK 465 GLY H 153 REMARK 465 THR H 154 REMARK 465 ALA H 155 REMARK 465 ALA H 156 REMARK 465 LEU H 157 REMARK 465 GLY H 158 REMARK 465 CYS H 159 REMARK 465 LEU H 160 REMARK 465 VAL H 161 REMARK 465 LYS H 162 REMARK 465 ASP H 163 REMARK 465 TYR H 164 REMARK 465 PHE H 165 REMARK 465 PRO H 166 REMARK 465 GLU H 167 REMARK 465 PRO H 168 REMARK 465 VAL H 169 REMARK 465 THR H 170 REMARK 465 VAL H 171 REMARK 465 SER H 172 REMARK 465 TRP H 173 REMARK 465 ASN H 174 REMARK 465 SER H 175 REMARK 465 GLY H 176 REMARK 465 ALA H 177 REMARK 465 LEU H 178 REMARK 465 THR H 179 REMARK 465 SER H 180 REMARK 465 GLY H 181 REMARK 465 VAL H 182 REMARK 465 HIS H 183 REMARK 465 THR H 184 REMARK 465 PHE H 185 REMARK 465 PRO H 186 REMARK 465 ALA H 187 REMARK 465 VAL H 188 REMARK 465 LEU H 189 REMARK 465 GLN H 190 REMARK 465 SER H 191 REMARK 465 SER H 192 REMARK 465 GLY H 193 REMARK 465 LEU H 194 REMARK 465 TYR H 195 REMARK 465 SER H 196 REMARK 465 LEU H 197 REMARK 465 SER H 198 REMARK 465 SER H 199 REMARK 465 VAL H 200 REMARK 465 VAL H 201 REMARK 465 THR H 202 REMARK 465 VAL H 203 REMARK 465 PRO H 204 REMARK 465 SER H 205 REMARK 465 SER H 206 REMARK 465 SER H 207 REMARK 465 LEU H 208 REMARK 465 GLY H 209 REMARK 465 THR H 210 REMARK 465 GLN H 211 REMARK 465 THR H 212 REMARK 465 TYR H 213 REMARK 465 ILE H 214 REMARK 465 CYS H 215 REMARK 465 ASN H 216 REMARK 465 VAL H 217 REMARK 465 ASN H 218 REMARK 465 HIS H 219 REMARK 465 LYS H 220 REMARK 465 PRO H 221 REMARK 465 SER H 222 REMARK 465 ASN H 223 REMARK 465 THR H 224 REMARK 465 LYS H 225 REMARK 465 VAL H 226 REMARK 465 ASP H 227 REMARK 465 LYS H 228 REMARK 465 LYS H 229 REMARK 465 VAL H 230 REMARK 465 GLU H 231 REMARK 465 PRO H 232 REMARK 465 LYS H 233 REMARK 465 SER H 234 REMARK 465 CYS H 235 REMARK 465 ASP H 236 REMARK 465 LYS H 237 REMARK 465 THR H 238 REMARK 465 HIS H 239 REMARK 465 THR H 240 REMARK 465 ARG L 109 REMARK 465 THR L 110 REMARK 465 VAL L 111 REMARK 465 ALA L 112 REMARK 465 ALA L 113 REMARK 465 PRO L 114 REMARK 465 SER L 115 REMARK 465 VAL L 116 REMARK 465 PHE L 117 REMARK 465 ILE L 118 REMARK 465 PHE L 119 REMARK 465 PRO L 120 REMARK 465 PRO L 121 REMARK 465 SER L 122 REMARK 465 ASP L 123 REMARK 465 SER L 124 REMARK 465 GLN L 125 REMARK 465 LEU L 126 REMARK 465 LYS L 127 REMARK 465 SER L 128 REMARK 465 GLY L 129 REMARK 465 THR L 130 REMARK 465 ALA L 131 REMARK 465 SER L 132 REMARK 465 VAL L 133 REMARK 465 VAL L 134 REMARK 465 CYS L 135 REMARK 465 LEU L 136 REMARK 465 LEU L 137 REMARK 465 ASN L 138 REMARK 465 ASN L 139 REMARK 465 PHE L 140 REMARK 465 TYR L 141 REMARK 465 PRO L 142 REMARK 465 ARG L 143 REMARK 465 GLU L 144 REMARK 465 ALA L 145 REMARK 465 LYS L 146 REMARK 465 VAL L 147 REMARK 465 GLN L 148 REMARK 465 TRP L 149 REMARK 465 LYS L 150 REMARK 465 VAL L 151 REMARK 465 ASP L 152 REMARK 465 ASN L 153 REMARK 465 ALA L 154 REMARK 465 LEU L 155 REMARK 465 GLN L 156 REMARK 465 SER L 157 REMARK 465 GLY L 158 REMARK 465 ASN L 159 REMARK 465 SER L 160 REMARK 465 GLN L 161 REMARK 465 GLU L 162 REMARK 465 SER L 163 REMARK 465 VAL L 164 REMARK 465 THR L 165 REMARK 465 GLU L 166 REMARK 465 GLN L 167 REMARK 465 ASP L 168 REMARK 465 SER L 169 REMARK 465 LYS L 170 REMARK 465 ASP L 171 REMARK 465 SER L 172 REMARK 465 THR L 173 REMARK 465 TYR L 174 REMARK 465 SER L 175 REMARK 465 LEU L 176 REMARK 465 SER L 177 REMARK 465 SER L 178 REMARK 465 THR L 179 REMARK 465 LEU L 180 REMARK 465 THR L 181 REMARK 465 LEU L 182 REMARK 465 SER L 183 REMARK 465 LYS L 184 REMARK 465 ALA L 185 REMARK 465 ASP L 186 REMARK 465 TYR L 187 REMARK 465 GLU L 188 REMARK 465 LYS L 189 REMARK 465 HIS L 190 REMARK 465 LYS L 191 REMARK 465 VAL L 192 REMARK 465 TYR L 193 REMARK 465 ALA L 194 REMARK 465 CYS L 195 REMARK 465 GLU L 196 REMARK 465 VAL L 197 REMARK 465 THR L 198 REMARK 465 HIS L 199 REMARK 465 GLN L 200 REMARK 465 GLY L 201 REMARK 465 LEU L 202 REMARK 465 SER L 203 REMARK 465 SER L 204 REMARK 465 PRO L 205 REMARK 465 VAL L 206 REMARK 465 THR L 207 REMARK 465 LYS L 208 REMARK 465 SER L 209 REMARK 465 PHE L 210 REMARK 465 ASN L 211 REMARK 465 ARG L 212 REMARK 465 GLY L 213 REMARK 465 GLU L 214 REMARK 465 CYS L 215 REMARK 465 GLU F 1 REMARK 465 ILE F 2 REMARK 465 SER F 3 REMARK 465 THR F 130 REMARK 465 VAL F 131 REMARK 465 PHE F 132 REMARK 465 ASN F 133 REMARK 465 GLN F 134 REMARK 465 ILE F 135 REMARK 465 LYS F 136 REMARK 465 GLY F 137 REMARK 465 PRO F 138 REMARK 465 SER F 139 REMARK 465 VAL F 140 REMARK 465 PHE F 141 REMARK 465 PRO F 142 REMARK 465 LEU F 143 REMARK 465 ALA F 144 REMARK 465 PRO F 145 REMARK 465 SER F 146 REMARK 465 SER F 147 REMARK 465 LYS F 148 REMARK 465 SER F 149 REMARK 465 THR F 150 REMARK 465 SER F 151 REMARK 465 GLY F 152 REMARK 465 GLY F 153 REMARK 465 THR F 154 REMARK 465 ALA F 155 REMARK 465 ALA F 156 REMARK 465 LEU F 157 REMARK 465 GLY F 158 REMARK 465 CYS F 159 REMARK 465 LEU F 160 REMARK 465 VAL F 161 REMARK 465 LYS F 162 REMARK 465 ASP F 163 REMARK 465 TYR F 164 REMARK 465 PHE F 165 REMARK 465 PRO F 166 REMARK 465 GLU F 167 REMARK 465 PRO F 168 REMARK 465 VAL F 169 REMARK 465 THR F 170 REMARK 465 VAL F 171 REMARK 465 SER F 172 REMARK 465 TRP F 173 REMARK 465 ASN F 174 REMARK 465 SER F 175 REMARK 465 GLY F 176 REMARK 465 ALA F 177 REMARK 465 LEU F 178 REMARK 465 THR F 179 REMARK 465 SER F 180 REMARK 465 GLY F 181 REMARK 465 VAL F 182 REMARK 465 HIS F 183 REMARK 465 THR F 184 REMARK 465 PHE F 185 REMARK 465 PRO F 186 REMARK 465 ALA F 187 REMARK 465 VAL F 188 REMARK 465 LEU F 189 REMARK 465 GLN F 190 REMARK 465 SER F 191 REMARK 465 SER F 192 REMARK 465 GLY F 193 REMARK 465 LEU F 194 REMARK 465 TYR F 195 REMARK 465 SER F 196 REMARK 465 LEU F 197 REMARK 465 SER F 198 REMARK 465 SER F 199 REMARK 465 VAL F 200 REMARK 465 VAL F 201 REMARK 465 THR F 202 REMARK 465 VAL F 203 REMARK 465 PRO F 204 REMARK 465 SER F 205 REMARK 465 SER F 206 REMARK 465 SER F 207 REMARK 465 LEU F 208 REMARK 465 GLY F 209 REMARK 465 THR F 210 REMARK 465 GLN F 211 REMARK 465 THR F 212 REMARK 465 TYR F 213 REMARK 465 ILE F 214 REMARK 465 CYS F 215 REMARK 465 ASN F 216 REMARK 465 VAL F 217 REMARK 465 ASN F 218 REMARK 465 HIS F 219 REMARK 465 LYS F 220 REMARK 465 PRO F 221 REMARK 465 SER F 222 REMARK 465 ASN F 223 REMARK 465 THR F 224 REMARK 465 LYS F 225 REMARK 465 VAL F 226 REMARK 465 ASP F 227 REMARK 465 LYS F 228 REMARK 465 LYS F 229 REMARK 465 VAL F 230 REMARK 465 GLU F 231 REMARK 465 PRO F 232 REMARK 465 LYS F 233 REMARK 465 SER F 234 REMARK 465 CYS F 235 REMARK 465 ASP F 236 REMARK 465 LYS F 237 REMARK 465 THR F 238 REMARK 465 HIS F 239 REMARK 465 THR F 240 REMARK 465 THR G 110 REMARK 465 VAL G 111 REMARK 465 ALA G 112 REMARK 465 ALA G 113 REMARK 465 PRO G 114 REMARK 465 SER G 115 REMARK 465 VAL G 116 REMARK 465 PHE G 117 REMARK 465 ILE G 118 REMARK 465 PHE G 119 REMARK 465 PRO G 120 REMARK 465 PRO G 121 REMARK 465 SER G 122 REMARK 465 ASP G 123 REMARK 465 SER G 124 REMARK 465 GLN G 125 REMARK 465 LEU G 126 REMARK 465 LYS G 127 REMARK 465 SER G 128 REMARK 465 GLY G 129 REMARK 465 THR G 130 REMARK 465 ALA G 131 REMARK 465 SER G 132 REMARK 465 VAL G 133 REMARK 465 VAL G 134 REMARK 465 CYS G 135 REMARK 465 LEU G 136 REMARK 465 LEU G 137 REMARK 465 ASN G 138 REMARK 465 ASN G 139 REMARK 465 PHE G 140 REMARK 465 TYR G 141 REMARK 465 PRO G 142 REMARK 465 ARG G 143 REMARK 465 GLU G 144 REMARK 465 ALA G 145 REMARK 465 LYS G 146 REMARK 465 VAL G 147 REMARK 465 GLN G 148 REMARK 465 TRP G 149 REMARK 465 LYS G 150 REMARK 465 VAL G 151 REMARK 465 ASP G 152 REMARK 465 ASN G 153 REMARK 465 ALA G 154 REMARK 465 LEU G 155 REMARK 465 GLN G 156 REMARK 465 SER G 157 REMARK 465 GLY G 158 REMARK 465 ASN G 159 REMARK 465 SER G 160 REMARK 465 GLN G 161 REMARK 465 GLU G 162 REMARK 465 SER G 163 REMARK 465 VAL G 164 REMARK 465 THR G 165 REMARK 465 GLU G 166 REMARK 465 GLN G 167 REMARK 465 ASP G 168 REMARK 465 SER G 169 REMARK 465 LYS G 170 REMARK 465 ASP G 171 REMARK 465 SER G 172 REMARK 465 THR G 173 REMARK 465 TYR G 174 REMARK 465 SER G 175 REMARK 465 LEU G 176 REMARK 465 SER G 177 REMARK 465 SER G 178 REMARK 465 THR G 179 REMARK 465 LEU G 180 REMARK 465 THR G 181 REMARK 465 LEU G 182 REMARK 465 SER G 183 REMARK 465 LYS G 184 REMARK 465 ALA G 185 REMARK 465 ASP G 186 REMARK 465 TYR G 187 REMARK 465 GLU G 188 REMARK 465 LYS G 189 REMARK 465 HIS G 190 REMARK 465 LYS G 191 REMARK 465 VAL G 192 REMARK 465 TYR G 193 REMARK 465 ALA G 194 REMARK 465 CYS G 195 REMARK 465 GLU G 196 REMARK 465 VAL G 197 REMARK 465 THR G 198 REMARK 465 HIS G 199 REMARK 465 GLN G 200 REMARK 465 GLY G 201 REMARK 465 LEU G 202 REMARK 465 SER G 203 REMARK 465 SER G 204 REMARK 465 PRO G 205 REMARK 465 VAL G 206 REMARK 465 THR G 207 REMARK 465 LYS G 208 REMARK 465 SER G 209 REMARK 465 PHE G 210 REMARK 465 ASN G 211 REMARK 465 ARG G 212 REMARK 465 GLY G 213 REMARK 465 GLU G 214 REMARK 465 CYS G 215 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LYS E 111 OH TYR E 181 2.07 REMARK 500 O TYR E 279 OG SER E 282 2.17 REMARK 500 OG SER G 68 OD1 ASP G 71 2.18 REMARK 500 NE2 GLN D 140 OD1 ASP D 145 2.19 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 PRO A 14 48.67 -74.23 REMARK 500 ASP A 145 -169.42 -160.59 REMARK 500 VAL A 239 64.28 34.05 REMARK 500 PRO A 319 75.79 -69.91 REMARK 500 PHE B 27 117.28 -161.37 REMARK 500 LEU B 119 -1.01 64.87 REMARK 500 LYS B 133 -94.65 61.41 REMARK 500 VAL B 239 70.66 38.22 REMARK 500 LEU B 321 -95.70 54.24 REMARK 500 ASN C 118 -6.38 71.21 REMARK 500 LYS C 133 -6.38 73.97 REMARK 500 GLU C 204 -135.78 37.05 REMARK 500 TRP C 325 -121.69 60.58 REMARK 500 PRO D 52 3.27 -66.46 REMARK 500 LYS D 133 -9.01 71.02 REMARK 500 GLU D 201 -60.07 -91.16 REMARK 500 PHE D 315 -167.21 -161.01 REMARK 500 PRO D 319 -5.85 -54.17 REMARK 500 ARG D 322 -9.49 75.75 REMARK 500 TRP D 323 48.11 38.40 REMARK 500 PHE E 80 5.28 -69.09 REMARK 500 HIS E 94 51.21 -93.06 REMARK 500 ASN E 118 -0.59 66.20 REMARK 500 ASP E 238 132.19 67.18 REMARK 500 ARG E 322 -99.45 87.26 REMARK 500 TRP E 323 -138.46 50.60 REMARK 500 TRP E 325 -34.84 -132.95 REMARK 500 VAL H 51 -60.76 -102.80 REMARK 500 SER L 31 -132.76 59.99 REMARK 500 ALA L 52 -9.92 71.96 REMARK 500 SER L 53 -37.45 -132.40 REMARK 500 SER L 61 5.49 -68.82 REMARK 500 ASN F 80 57.97 35.68 REMARK 500 ARG F 90 147.44 69.43 REMARK 500 ALA F 95 -158.85 -150.15 REMARK 500 PRO G 9 160.71 -49.35 REMARK 500 SER G 31 -166.08 -77.74 REMARK 500 SER G 32 -6.19 -57.95 REMARK 500 ALA G 52 -8.78 70.33 REMARK 500 SER G 78 116.30 -161.53 REMARK 500 PRO G 96 71.11 -67.38 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 MG D 401 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP D 253 OD1 REMARK 620 2 ASP E 89 OD1 115.4 REMARK 620 N 1 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-41384 RELATED DB: EMDB REMARK 900 CRYO-EM STRUCTURE OF CORA IN COMPLEX WITH CONFORMATION-SPECIFIC REMARK 900 SYNTHETIC ANTIBODY C12 AND 20 MM MGCL2, STATE MG20-2 DBREF 8TMC A 1 351 UNP Q9WZ31 CORA_THEMA 1 351 DBREF 8TMC B 1 351 UNP Q9WZ31 CORA_THEMA 1 351 DBREF 8TMC C 1 351 UNP Q9WZ31 CORA_THEMA 1 351 DBREF 8TMC D 1 351 UNP Q9WZ31 CORA_THEMA 1 351 DBREF 8TMC E 1 351 UNP Q9WZ31 CORA_THEMA 1 351 DBREF 8TMC H 1 240 PDB 8TMC 8TMC 1 240 DBREF 8TMC L 1 215 PDB 8TMC 8TMC 1 215 DBREF 8TMC F 1 240 PDB 8TMC 8TMC 1 240 DBREF 8TMC G 1 215 PDB 8TMC 8TMC 1 215 SEQADV 8TMC MET A -21 UNP Q9WZ31 INITIATING METHIONINE SEQADV 8TMC GLY A -20 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER A -19 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER A -18 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -17 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -16 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -15 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -14 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -13 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A -12 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER A -11 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER A -10 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY A -9 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ARG A -8 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLU A -7 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ASN A -6 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC LEU A -5 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC TYR A -4 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC PHE A -3 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLN A -2 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY A -1 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS A 0 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC MET B -21 UNP Q9WZ31 INITIATING METHIONINE SEQADV 8TMC GLY B -20 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER B -19 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER B -18 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -17 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -16 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -15 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -14 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -13 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B -12 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER B -11 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER B -10 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY B -9 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ARG B -8 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLU B -7 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ASN B -6 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC LEU B -5 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC TYR B -4 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC PHE B -3 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLN B -2 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY B -1 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS B 0 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC MET C -21 UNP Q9WZ31 INITIATING METHIONINE SEQADV 8TMC GLY C -20 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER C -19 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER C -18 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -17 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -16 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -15 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -14 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -13 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C -12 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER C -11 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER C -10 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY C -9 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ARG C -8 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLU C -7 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ASN C -6 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC LEU C -5 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC TYR C -4 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC PHE C -3 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLN C -2 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY C -1 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS C 0 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC MET D -21 UNP Q9WZ31 INITIATING METHIONINE SEQADV 8TMC GLY D -20 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER D -19 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER D -18 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -17 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -16 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -15 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -14 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -13 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D -12 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER D -11 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER D -10 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY D -9 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ARG D -8 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLU D -7 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ASN D -6 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC LEU D -5 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC TYR D -4 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC PHE D -3 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLN D -2 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY D -1 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS D 0 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC MET E -21 UNP Q9WZ31 INITIATING METHIONINE SEQADV 8TMC GLY E -20 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER E -19 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER E -18 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -17 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -16 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -15 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -14 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -13 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E -12 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER E -11 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC SER E -10 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY E -9 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ARG E -8 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLU E -7 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC ASN E -6 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC LEU E -5 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC TYR E -4 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC PHE E -3 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLN E -2 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC GLY E -1 UNP Q9WZ31 EXPRESSION TAG SEQADV 8TMC HIS E 0 UNP Q9WZ31 EXPRESSION TAG SEQRES 1 A 373 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 373 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET GLU GLU LYS SEQRES 3 A 373 ARG LEU SER ALA LYS LYS GLY LEU PRO PRO GLY THR LEU SEQRES 4 A 373 VAL TYR THR GLY LYS TYR ARG GLU ASP PHE GLU ILE GLU SEQRES 5 A 373 VAL MET ASN TYR SER ILE GLU GLU PHE ARG GLU PHE LYS SEQRES 6 A 373 THR THR ASP VAL GLU SER VAL LEU PRO PHE ARG ASP SER SEQRES 7 A 373 SER THR PRO THR TRP ILE ASN ILE THR GLY ILE HIS ARG SEQRES 8 A 373 THR ASP VAL VAL GLN ARG VAL GLY GLU PHE PHE GLY ILE SEQRES 9 A 373 HIS PRO LEU VAL LEU GLU ASP ILE LEU ASN VAL HIS GLN SEQRES 10 A 373 ARG PRO LYS VAL GLU PHE PHE GLU ASN TYR VAL PHE ILE SEQRES 11 A 373 VAL LEU LYS MET PHE THR TYR ASP LYS ASN LEU HIS GLU SEQRES 12 A 373 LEU GLU SER GLU GLN VAL SER LEU ILE LEU THR LYS ASN SEQRES 13 A 373 CYS VAL LEU MET PHE GLN GLU LYS ILE GLY ASP VAL PHE SEQRES 14 A 373 ASP PRO VAL ARG GLU ARG ILE ARG TYR ASN ARG GLY ILE SEQRES 15 A 373 ILE ARG LYS LYS ARG ALA ASP TYR LEU LEU TYR SER LEU SEQRES 16 A 373 ILE ASP ALA LEU VAL ASP ASP TYR PHE VAL LEU LEU GLU SEQRES 17 A 373 LYS ILE ASP ASP GLU ILE ASP VAL LEU GLU GLU GLU VAL SEQRES 18 A 373 LEU GLU ARG PRO GLU LYS GLU THR VAL GLN ARG THR HIS SEQRES 19 A 373 GLN LEU LYS ARG ASN LEU VAL GLU LEU ARG LYS THR ILE SEQRES 20 A 373 TRP PRO LEU ARG GLU VAL LEU SER SER LEU TYR ARG ASP SEQRES 21 A 373 VAL PRO PRO LEU ILE GLU LYS GLU THR VAL PRO TYR PHE SEQRES 22 A 373 ARG ASP VAL TYR ASP HIS THR ILE GLN ILE ALA ASP THR SEQRES 23 A 373 VAL GLU THR PHE ARG ASP ILE VAL SER GLY LEU LEU ASP SEQRES 24 A 373 VAL TYR LEU SER SER VAL SER ASN LYS THR ASN GLU VAL SEQRES 25 A 373 MET LYS VAL LEU THR ILE ILE ALA THR ILE PHE MET PRO SEQRES 26 A 373 LEU THR PHE ILE ALA GLY ILE TYR GLY MET ASN PHE GLU SEQRES 27 A 373 TYR MET PRO GLU LEU ARG TRP LYS TRP GLY TYR PRO VAL SEQRES 28 A 373 VAL LEU ALA VAL MET GLY VAL ILE ALA VAL ILE MET VAL SEQRES 29 A 373 VAL TYR PHE LYS LYS LYS LYS TRP LEU SEQRES 1 B 373 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 B 373 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET GLU GLU LYS SEQRES 3 B 373 ARG LEU SER ALA LYS LYS GLY LEU PRO PRO GLY THR LEU SEQRES 4 B 373 VAL TYR THR GLY LYS TYR ARG GLU ASP PHE GLU ILE GLU SEQRES 5 B 373 VAL MET ASN TYR SER ILE GLU GLU PHE ARG GLU PHE LYS SEQRES 6 B 373 THR THR ASP VAL GLU SER VAL LEU PRO PHE ARG ASP SER SEQRES 7 B 373 SER THR PRO THR TRP ILE ASN ILE THR GLY ILE HIS ARG SEQRES 8 B 373 THR ASP VAL VAL GLN ARG VAL GLY GLU PHE PHE GLY ILE SEQRES 9 B 373 HIS PRO LEU VAL LEU GLU ASP ILE LEU ASN VAL HIS GLN SEQRES 10 B 373 ARG PRO LYS VAL GLU PHE PHE GLU ASN TYR VAL PHE ILE SEQRES 11 B 373 VAL LEU LYS MET PHE THR TYR ASP LYS ASN LEU HIS GLU SEQRES 12 B 373 LEU GLU SER GLU GLN VAL SER LEU ILE LEU THR LYS ASN SEQRES 13 B 373 CYS VAL LEU MET PHE GLN GLU LYS ILE GLY ASP VAL PHE SEQRES 14 B 373 ASP PRO VAL ARG GLU ARG ILE ARG TYR ASN ARG GLY ILE SEQRES 15 B 373 ILE ARG LYS LYS ARG ALA ASP TYR LEU LEU TYR SER LEU SEQRES 16 B 373 ILE ASP ALA LEU VAL ASP ASP TYR PHE VAL LEU LEU GLU SEQRES 17 B 373 LYS ILE ASP ASP GLU ILE ASP VAL LEU GLU GLU GLU VAL SEQRES 18 B 373 LEU GLU ARG PRO GLU LYS GLU THR VAL GLN ARG THR HIS SEQRES 19 B 373 GLN LEU LYS ARG ASN LEU VAL GLU LEU ARG LYS THR ILE SEQRES 20 B 373 TRP PRO LEU ARG GLU VAL LEU SER SER LEU TYR ARG ASP SEQRES 21 B 373 VAL PRO PRO LEU ILE GLU LYS GLU THR VAL PRO TYR PHE SEQRES 22 B 373 ARG ASP VAL TYR ASP HIS THR ILE GLN ILE ALA ASP THR SEQRES 23 B 373 VAL GLU THR PHE ARG ASP ILE VAL SER GLY LEU LEU ASP SEQRES 24 B 373 VAL TYR LEU SER SER VAL SER ASN LYS THR ASN GLU VAL SEQRES 25 B 373 MET LYS VAL LEU THR ILE ILE ALA THR ILE PHE MET PRO SEQRES 26 B 373 LEU THR PHE ILE ALA GLY ILE TYR GLY MET ASN PHE GLU SEQRES 27 B 373 TYR MET PRO GLU LEU ARG TRP LYS TRP GLY TYR PRO VAL SEQRES 28 B 373 VAL LEU ALA VAL MET GLY VAL ILE ALA VAL ILE MET VAL SEQRES 29 B 373 VAL TYR PHE LYS LYS LYS LYS TRP LEU SEQRES 1 C 373 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 C 373 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET GLU GLU LYS SEQRES 3 C 373 ARG LEU SER ALA LYS LYS GLY LEU PRO PRO GLY THR LEU SEQRES 4 C 373 VAL TYR THR GLY LYS TYR ARG GLU ASP PHE GLU ILE GLU SEQRES 5 C 373 VAL MET ASN TYR SER ILE GLU GLU PHE ARG GLU PHE LYS SEQRES 6 C 373 THR THR ASP VAL GLU SER VAL LEU PRO PHE ARG ASP SER SEQRES 7 C 373 SER THR PRO THR TRP ILE ASN ILE THR GLY ILE HIS ARG SEQRES 8 C 373 THR ASP VAL VAL GLN ARG VAL GLY GLU PHE PHE GLY ILE SEQRES 9 C 373 HIS PRO LEU VAL LEU GLU ASP ILE LEU ASN VAL HIS GLN SEQRES 10 C 373 ARG PRO LYS VAL GLU PHE PHE GLU ASN TYR VAL PHE ILE SEQRES 11 C 373 VAL LEU LYS MET PHE THR TYR ASP LYS ASN LEU HIS GLU SEQRES 12 C 373 LEU GLU SER GLU GLN VAL SER LEU ILE LEU THR LYS ASN SEQRES 13 C 373 CYS VAL LEU MET PHE GLN GLU LYS ILE GLY ASP VAL PHE SEQRES 14 C 373 ASP PRO VAL ARG GLU ARG ILE ARG TYR ASN ARG GLY ILE SEQRES 15 C 373 ILE ARG LYS LYS ARG ALA ASP TYR LEU LEU TYR SER LEU SEQRES 16 C 373 ILE ASP ALA LEU VAL ASP ASP TYR PHE VAL LEU LEU GLU SEQRES 17 C 373 LYS ILE ASP ASP GLU ILE ASP VAL LEU GLU GLU GLU VAL SEQRES 18 C 373 LEU GLU ARG PRO GLU LYS GLU THR VAL GLN ARG THR HIS SEQRES 19 C 373 GLN LEU LYS ARG ASN LEU VAL GLU LEU ARG LYS THR ILE SEQRES 20 C 373 TRP PRO LEU ARG GLU VAL LEU SER SER LEU TYR ARG ASP SEQRES 21 C 373 VAL PRO PRO LEU ILE GLU LYS GLU THR VAL PRO TYR PHE SEQRES 22 C 373 ARG ASP VAL TYR ASP HIS THR ILE GLN ILE ALA ASP THR SEQRES 23 C 373 VAL GLU THR PHE ARG ASP ILE VAL SER GLY LEU LEU ASP SEQRES 24 C 373 VAL TYR LEU SER SER VAL SER ASN LYS THR ASN GLU VAL SEQRES 25 C 373 MET LYS VAL LEU THR ILE ILE ALA THR ILE PHE MET PRO SEQRES 26 C 373 LEU THR PHE ILE ALA GLY ILE TYR GLY MET ASN PHE GLU SEQRES 27 C 373 TYR MET PRO GLU LEU ARG TRP LYS TRP GLY TYR PRO VAL SEQRES 28 C 373 VAL LEU ALA VAL MET GLY VAL ILE ALA VAL ILE MET VAL SEQRES 29 C 373 VAL TYR PHE LYS LYS LYS LYS TRP LEU SEQRES 1 D 373 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 D 373 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET GLU GLU LYS SEQRES 3 D 373 ARG LEU SER ALA LYS LYS GLY LEU PRO PRO GLY THR LEU SEQRES 4 D 373 VAL TYR THR GLY LYS TYR ARG GLU ASP PHE GLU ILE GLU SEQRES 5 D 373 VAL MET ASN TYR SER ILE GLU GLU PHE ARG GLU PHE LYS SEQRES 6 D 373 THR THR ASP VAL GLU SER VAL LEU PRO PHE ARG ASP SER SEQRES 7 D 373 SER THR PRO THR TRP ILE ASN ILE THR GLY ILE HIS ARG SEQRES 8 D 373 THR ASP VAL VAL GLN ARG VAL GLY GLU PHE PHE GLY ILE SEQRES 9 D 373 HIS PRO LEU VAL LEU GLU ASP ILE LEU ASN VAL HIS GLN SEQRES 10 D 373 ARG PRO LYS VAL GLU PHE PHE GLU ASN TYR VAL PHE ILE SEQRES 11 D 373 VAL LEU LYS MET PHE THR TYR ASP LYS ASN LEU HIS GLU SEQRES 12 D 373 LEU GLU SER GLU GLN VAL SER LEU ILE LEU THR LYS ASN SEQRES 13 D 373 CYS VAL LEU MET PHE GLN GLU LYS ILE GLY ASP VAL PHE SEQRES 14 D 373 ASP PRO VAL ARG GLU ARG ILE ARG TYR ASN ARG GLY ILE SEQRES 15 D 373 ILE ARG LYS LYS ARG ALA ASP TYR LEU LEU TYR SER LEU SEQRES 16 D 373 ILE ASP ALA LEU VAL ASP ASP TYR PHE VAL LEU LEU GLU SEQRES 17 D 373 LYS ILE ASP ASP GLU ILE ASP VAL LEU GLU GLU GLU VAL SEQRES 18 D 373 LEU GLU ARG PRO GLU LYS GLU THR VAL GLN ARG THR HIS SEQRES 19 D 373 GLN LEU LYS ARG ASN LEU VAL GLU LEU ARG LYS THR ILE SEQRES 20 D 373 TRP PRO LEU ARG GLU VAL LEU SER SER LEU TYR ARG ASP SEQRES 21 D 373 VAL PRO PRO LEU ILE GLU LYS GLU THR VAL PRO TYR PHE SEQRES 22 D 373 ARG ASP VAL TYR ASP HIS THR ILE GLN ILE ALA ASP THR SEQRES 23 D 373 VAL GLU THR PHE ARG ASP ILE VAL SER GLY LEU LEU ASP SEQRES 24 D 373 VAL TYR LEU SER SER VAL SER ASN LYS THR ASN GLU VAL SEQRES 25 D 373 MET LYS VAL LEU THR ILE ILE ALA THR ILE PHE MET PRO SEQRES 26 D 373 LEU THR PHE ILE ALA GLY ILE TYR GLY MET ASN PHE GLU SEQRES 27 D 373 TYR MET PRO GLU LEU ARG TRP LYS TRP GLY TYR PRO VAL SEQRES 28 D 373 VAL LEU ALA VAL MET GLY VAL ILE ALA VAL ILE MET VAL SEQRES 29 D 373 VAL TYR PHE LYS LYS LYS LYS TRP LEU SEQRES 1 E 373 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 E 373 ARG GLU ASN LEU TYR PHE GLN GLY HIS MET GLU GLU LYS SEQRES 3 E 373 ARG LEU SER ALA LYS LYS GLY LEU PRO PRO GLY THR LEU SEQRES 4 E 373 VAL TYR THR GLY LYS TYR ARG GLU ASP PHE GLU ILE GLU SEQRES 5 E 373 VAL MET ASN TYR SER ILE GLU GLU PHE ARG GLU PHE LYS SEQRES 6 E 373 THR THR ASP VAL GLU SER VAL LEU PRO PHE ARG ASP SER SEQRES 7 E 373 SER THR PRO THR TRP ILE ASN ILE THR GLY ILE HIS ARG SEQRES 8 E 373 THR ASP VAL VAL GLN ARG VAL GLY GLU PHE PHE GLY ILE SEQRES 9 E 373 HIS PRO LEU VAL LEU GLU ASP ILE LEU ASN VAL HIS GLN SEQRES 10 E 373 ARG PRO LYS VAL GLU PHE PHE GLU ASN TYR VAL PHE ILE SEQRES 11 E 373 VAL LEU LYS MET PHE THR TYR ASP LYS ASN LEU HIS GLU SEQRES 12 E 373 LEU GLU SER GLU GLN VAL SER LEU ILE LEU THR LYS ASN SEQRES 13 E 373 CYS VAL LEU MET PHE GLN GLU LYS ILE GLY ASP VAL PHE SEQRES 14 E 373 ASP PRO VAL ARG GLU ARG ILE ARG TYR ASN ARG GLY ILE SEQRES 15 E 373 ILE ARG LYS LYS ARG ALA ASP TYR LEU LEU TYR SER LEU SEQRES 16 E 373 ILE ASP ALA LEU VAL ASP ASP TYR PHE VAL LEU LEU GLU SEQRES 17 E 373 LYS ILE ASP ASP GLU ILE ASP VAL LEU GLU GLU GLU VAL SEQRES 18 E 373 LEU GLU ARG PRO GLU LYS GLU THR VAL GLN ARG THR HIS SEQRES 19 E 373 GLN LEU LYS ARG ASN LEU VAL GLU LEU ARG LYS THR ILE SEQRES 20 E 373 TRP PRO LEU ARG GLU VAL LEU SER SER LEU TYR ARG ASP SEQRES 21 E 373 VAL PRO PRO LEU ILE GLU LYS GLU THR VAL PRO TYR PHE SEQRES 22 E 373 ARG ASP VAL TYR ASP HIS THR ILE GLN ILE ALA ASP THR SEQRES 23 E 373 VAL GLU THR PHE ARG ASP ILE VAL SER GLY LEU LEU ASP SEQRES 24 E 373 VAL TYR LEU SER SER VAL SER ASN LYS THR ASN GLU VAL SEQRES 25 E 373 MET LYS VAL LEU THR ILE ILE ALA THR ILE PHE MET PRO SEQRES 26 E 373 LEU THR PHE ILE ALA GLY ILE TYR GLY MET ASN PHE GLU SEQRES 27 E 373 TYR MET PRO GLU LEU ARG TRP LYS TRP GLY TYR PRO VAL SEQRES 28 E 373 VAL LEU ALA VAL MET GLY VAL ILE ALA VAL ILE MET VAL SEQRES 29 E 373 VAL TYR PHE LYS LYS LYS LYS TRP LEU SEQRES 1 H 240 GLU ILE SER GLU VAL GLN LEU VAL GLU SER GLY GLY GLY SEQRES 2 H 240 LEU VAL GLN PRO GLY GLY SER LEU ARG LEU SER CYS ALA SEQRES 3 H 240 ALA SER GLY PHE ASN ILE TYR TYR SER SER ILE HIS TRP SEQRES 4 H 240 VAL ARG GLN ALA PRO GLY LYS GLY LEU GLU TRP VAL ALA SEQRES 5 H 240 SER ILE TYR SER TYR SER GLY TYR THR SER TYR ALA ASP SEQRES 6 H 240 SER VAL LYS GLY ARG PHE THR ILE SER ALA ASP THR SER SEQRES 7 H 240 LYS ASN THR ALA TYR LEU GLN MET ASN SER LEU ARG ALA SEQRES 8 H 240 GLU ASP THR ALA VAL TYR TYR CYS ALA ARG SER PHE TYR SEQRES 9 H 240 VAL PHE LYS ARG GLY THR LYS TYR PRO TYR TYR ASN TYR SEQRES 10 H 240 PRO ALA MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR SEQRES 11 H 240 VAL PHE ASN GLN ILE LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 H 240 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 H 240 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 H 240 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 H 240 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 H 240 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 H 240 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 H 240 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER SEQRES 19 H 240 CYS ASP LYS THR HIS THR SEQRES 1 L 215 SER ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER SEQRES 2 L 215 ALA SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SEQRES 3 L 215 SER GLN SER VAL SER SER ALA VAL ALA TRP TYR GLN GLN SEQRES 4 L 215 LYS PRO GLY LYS ALA PRO LYS LEU LEU ILE TYR SER ALA SEQRES 5 L 215 SER SER LEU TYR SER GLY VAL PRO SER ARG PHE SER GLY SEQRES 6 L 215 SER ARG SER GLY THR ASP PHE THR LEU THR ILE SER SER SEQRES 7 L 215 LEU GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN SEQRES 8 L 215 SER TYR TYR LYS PRO ILE THR PHE GLY GLN GLY THR LYS SEQRES 9 L 215 VAL GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 L 215 ILE PHE PRO PRO SER ASP SER GLN LEU LYS SER GLY THR SEQRES 11 L 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 L 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 L 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 L 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 L 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 L 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 L 215 SER PHE ASN ARG GLY GLU CYS SEQRES 1 F 240 GLU ILE SER GLU VAL GLN LEU VAL GLU SER GLY GLY GLY SEQRES 2 F 240 LEU VAL GLN PRO GLY GLY SER LEU ARG LEU SER CYS ALA SEQRES 3 F 240 ALA SER GLY PHE ASN ILE TYR TYR SER SER ILE HIS TRP SEQRES 4 F 240 VAL ARG GLN ALA PRO GLY LYS GLY LEU GLU TRP VAL ALA SEQRES 5 F 240 SER ILE TYR SER TYR SER GLY TYR THR SER TYR ALA ASP SEQRES 6 F 240 SER VAL LYS GLY ARG PHE THR ILE SER ALA ASP THR SER SEQRES 7 F 240 LYS ASN THR ALA TYR LEU GLN MET ASN SER LEU ARG ALA SEQRES 8 F 240 GLU ASP THR ALA VAL TYR TYR CYS ALA ARG SER PHE TYR SEQRES 9 F 240 VAL PHE LYS ARG GLY THR LYS TYR PRO TYR TYR ASN TYR SEQRES 10 F 240 PRO ALA MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR SEQRES 11 F 240 VAL PHE ASN GLN ILE LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 F 240 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 F 240 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 F 240 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 F 240 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 F 240 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 F 240 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 F 240 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER SEQRES 19 F 240 CYS ASP LYS THR HIS THR SEQRES 1 G 215 SER ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER SEQRES 2 G 215 ALA SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SEQRES 3 G 215 SER GLN SER VAL SER SER ALA VAL ALA TRP TYR GLN GLN SEQRES 4 G 215 LYS PRO GLY LYS ALA PRO LYS LEU LEU ILE TYR SER ALA SEQRES 5 G 215 SER SER LEU TYR SER GLY VAL PRO SER ARG PHE SER GLY SEQRES 6 G 215 SER ARG SER GLY THR ASP PHE THR LEU THR ILE SER SER SEQRES 7 G 215 LEU GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN SEQRES 8 G 215 SER TYR TYR LYS PRO ILE THR PHE GLY GLN GLY THR LYS SEQRES 9 G 215 VAL GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 G 215 ILE PHE PRO PRO SER ASP SER GLN LEU LYS SER GLY THR SEQRES 11 G 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 G 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 G 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 G 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 G 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 G 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 G 215 SER PHE ASN ARG GLY GLU CYS HET MG A 401 1 HET MG A 402 1 HET MG B 401 1 HET MG C 401 1 HET MG D 401 1 HET MG D 402 1 HETNAM MG MAGNESIUM ION FORMUL 10 MG 6(MG 2+) HELIX 1 AA1 VAL A 50 SER A 56 5 7 HELIX 2 AA2 ARG A 69 PHE A 80 1 12 HELIX 3 AA3 HIS A 83 ASN A 92 1 10 HELIX 4 AA4 PHE A 147 ASN A 157 1 11 HELIX 5 AA5 ARG A 165 ARG A 202 1 38 HELIX 6 AA6 GLU A 204 ASP A 238 1 35 HELIX 7 AA7 THR A 247 TYR A 311 1 65 HELIX 8 AA8 TRP A 325 LYS A 348 1 24 HELIX 9 AA9 ASP B 46 LEU B 51 1 6 HELIX 10 AB1 PRO B 52 SER B 56 5 5 HELIX 11 AB2 ARG B 69 PHE B 80 1 12 HELIX 12 AB3 HIS B 83 ASN B 92 1 10 HELIX 13 AB4 LYS B 117 HIS B 120 5 4 HELIX 14 AB5 PHE B 147 ASN B 157 1 11 HELIX 15 AB6 ARG B 165 ARG B 202 1 38 HELIX 16 AB7 GLU B 206 ASP B 238 1 33 HELIX 17 AB8 GLU B 244 GLU B 246 5 3 HELIX 18 AB9 THR B 247 GLY B 312 1 66 HELIX 19 AC1 TRP B 325 LYS B 349 1 25 HELIX 20 AC2 VAL C 47 SER C 56 5 10 HELIX 21 AC3 ARG C 69 GLY C 81 1 13 HELIX 22 AC4 HIS C 83 ASN C 92 1 10 HELIX 23 AC5 PHE C 147 TYR C 156 1 10 HELIX 24 AC6 ARG C 165 ARG C 202 1 38 HELIX 25 AC7 LYS C 205 ASP C 238 1 34 HELIX 26 AC8 GLU C 244 GLU C 246 5 3 HELIX 27 AC9 THR C 247 THR C 299 1 53 HELIX 28 AD1 PHE C 301 TYR C 311 1 11 HELIX 29 AD2 TYR C 327 LYS C 347 1 21 HELIX 30 AD3 ASP D 46 LEU D 51 1 6 HELIX 31 AD4 PRO D 52 ARG D 54 5 3 HELIX 32 AD5 ARG D 69 GLY D 81 1 13 HELIX 33 AD6 HIS D 83 ASN D 92 1 10 HELIX 34 AD7 PHE D 147 ASN D 157 1 11 HELIX 35 AD8 ILE D 160 LYS D 164 5 5 HELIX 36 AD9 ARG D 165 ARG D 202 1 38 HELIX 37 AE1 GLU D 204 ASP D 238 1 35 HELIX 38 AE2 GLU D 244 GLU D 246 5 3 HELIX 39 AE3 THR D 247 TYR D 311 1 65 HELIX 40 AE4 GLY D 326 LYS D 348 1 23 HELIX 41 AE5 ASP E 46 ASP E 55 5 10 HELIX 42 AE6 ARG E 69 GLY E 81 1 13 HELIX 43 AE7 HIS E 83 ASN E 92 1 10 HELIX 44 AE8 PHE E 147 TYR E 156 1 10 HELIX 45 AE9 ARG E 165 ARG E 202 1 38 HELIX 46 AF1 GLU E 206 ARG E 237 1 32 HELIX 47 AF2 GLU E 244 GLU E 246 5 3 HELIX 48 AF3 THR E 247 TYR E 311 1 65 HELIX 49 AF4 TYR E 327 LYS E 348 1 22 HELIX 50 AF5 ASN H 31 TYR H 34 5 4 HELIX 51 AF6 ARG H 90 THR H 94 5 5 HELIX 52 AF7 ASN F 31 SER F 35 5 5 HELIX 53 AF8 GLN G 80 PHE G 84 5 5 SHEET 1 AA1 7 PHE A 39 THR A 44 0 SHEET 2 AA1 7 GLU A 28 TYR A 34 -1 N VAL A 31 O PHE A 42 SHEET 3 AA1 7 THR A 60 THR A 65 -1 O ASN A 63 N GLU A 30 SHEET 4 AA1 7 CYS A 135 GLN A 140 1 O MET A 138 N ILE A 64 SHEET 5 AA1 7 GLU A 123 LEU A 131 -1 N ILE A 130 O LEU A 137 SHEET 6 AA1 7 VAL A 106 THR A 114 -1 N ILE A 108 O LEU A 129 SHEET 7 AA1 7 LYS A 98 PHE A 101 -1 N GLU A 100 O PHE A 107 SHEET 1 AA2 7 PHE B 39 THR B 44 0 SHEET 2 AA2 7 GLU B 28 TYR B 34 -1 N ILE B 29 O THR B 44 SHEET 3 AA2 7 THR B 60 THR B 65 -1 O TRP B 61 N MET B 32 SHEET 4 AA2 7 CYS B 135 GLN B 140 1 O MET B 138 N ILE B 62 SHEET 5 AA2 7 GLU B 121 THR B 132 -1 N THR B 132 O CYS B 135 SHEET 6 AA2 7 TYR B 105 ASP B 116 -1 N ILE B 108 O LEU B 129 SHEET 7 AA2 7 LYS B 98 PHE B 101 -1 N LYS B 98 O VAL B 109 SHEET 1 AA3 7 PHE C 39 LYS C 43 0 SHEET 2 AA3 7 GLU C 28 TYR C 34 -1 N ASN C 33 O ARG C 40 SHEET 3 AA3 7 THR C 60 THR C 65 -1 O ASN C 63 N GLU C 30 SHEET 4 AA3 7 VAL C 136 GLN C 140 1 O MET C 138 N ILE C 64 SHEET 5 AA3 7 GLU C 121 LEU C 131 -1 N ILE C 130 O LEU C 137 SHEET 6 AA3 7 VAL C 106 ASP C 116 -1 N LEU C 110 O VAL C 127 SHEET 7 AA3 7 LYS C 98 PHE C 101 -1 N GLU C 100 O PHE C 107 SHEET 1 AA4 7 PHE D 39 THR D 44 0 SHEET 2 AA4 7 ILE D 29 TYR D 34 -1 N ILE D 29 O THR D 44 SHEET 3 AA4 7 THR D 60 ILE D 64 -1 O ASN D 63 N GLU D 30 SHEET 4 AA4 7 CYS D 135 PHE D 139 1 O VAL D 136 N ILE D 62 SHEET 5 AA4 7 LEU D 122 LEU D 131 -1 N SER D 128 O PHE D 139 SHEET 6 AA4 7 VAL D 106 TYR D 115 -1 N ILE D 108 O LEU D 129 SHEET 7 AA4 7 LYS D 98 PHE D 101 -1 N GLU D 100 O PHE D 107 SHEET 1 AA5 7 PHE E 39 THR E 44 0 SHEET 2 AA5 7 GLU E 28 TYR E 34 -1 N VAL E 31 O PHE E 42 SHEET 3 AA5 7 THR E 60 THR E 65 -1 O THR E 65 N GLU E 28 SHEET 4 AA5 7 CYS E 135 PHE E 139 1 O MET E 138 N ILE E 64 SHEET 5 AA5 7 LEU E 122 THR E 132 -1 N ILE E 130 O LEU E 137 SHEET 6 AA5 7 TYR E 105 TYR E 115 -1 N LEU E 110 O VAL E 127 SHEET 7 AA5 7 LYS E 98 PHE E 101 -1 N GLU E 100 O PHE E 107 SHEET 1 AA6 4 GLN H 6 SER H 10 0 SHEET 2 AA6 4 SER H 20 SER H 28 -1 O SER H 24 N SER H 10 SHEET 3 AA6 4 THR H 81 ASN H 87 -1 O LEU H 84 N LEU H 23 SHEET 4 AA6 4 PHE H 71 ASP H 76 -1 N SER H 74 O TYR H 83 SHEET 1 AA7 5 TYR H 60 TYR H 63 0 SHEET 2 AA7 5 LEU H 48 TYR H 55 -1 N TYR H 55 O TYR H 60 SHEET 3 AA7 5 SER H 36 GLN H 42 -1 N ARG H 41 O GLU H 49 SHEET 4 AA7 5 ALA H 95 PHE H 103 -1 O VAL H 96 N GLN H 42 SHEET 5 AA7 5 ALA H 119 TRP H 123 -1 O ASP H 121 N ARG H 101 SHEET 1 AA8 5 TYR H 60 TYR H 63 0 SHEET 2 AA8 5 LEU H 48 TYR H 55 -1 N TYR H 55 O TYR H 60 SHEET 3 AA8 5 SER H 36 GLN H 42 -1 N ARG H 41 O GLU H 49 SHEET 4 AA8 5 ALA H 95 PHE H 103 -1 O VAL H 96 N GLN H 42 SHEET 5 AA8 5 THR H 127 VAL H 129 -1 O THR H 127 N TYR H 97 SHEET 1 AA9 2 PHE H 106 LYS H 107 0 SHEET 2 AA9 2 TYR H 114 TYR H 115 -1 O TYR H 114 N LYS H 107 SHEET 1 AB1 4 MET L 5 SER L 8 0 SHEET 2 AB1 4 VAL L 20 ALA L 26 -1 O THR L 23 N SER L 8 SHEET 3 AB1 4 ASP L 71 ILE L 76 -1 O LEU L 74 N ILE L 22 SHEET 4 AB1 4 PHE L 63 SER L 68 -1 N SER L 68 O ASP L 71 SHEET 1 AB2 6 SER L 11 ALA L 14 0 SHEET 2 AB2 6 THR L 103 ILE L 107 1 O LYS L 104 N LEU L 12 SHEET 3 AB2 6 THR L 86 GLN L 90 -1 N TYR L 87 O THR L 103 SHEET 4 AB2 6 ALA L 35 GLN L 39 -1 N GLN L 39 O THR L 86 SHEET 5 AB2 6 LYS L 46 TYR L 50 -1 O LYS L 46 N GLN L 38 SHEET 6 AB2 6 SER L 54 LEU L 55 -1 O SER L 54 N TYR L 50 SHEET 1 AB3 3 LEU F 21 ALA F 26 0 SHEET 2 AB3 3 THR F 81 MET F 86 -1 O LEU F 84 N LEU F 23 SHEET 3 AB3 3 THR F 72 ASP F 76 -1 N ASP F 76 O THR F 81 SHEET 1 AB4 5 TYR F 60 TYR F 63 0 SHEET 2 AB4 5 GLU F 49 TYR F 55 -1 N TYR F 55 O TYR F 60 SHEET 3 AB4 5 SER F 36 GLN F 42 -1 N TRP F 39 O ALA F 52 SHEET 4 AB4 5 VAL F 96 PHE F 103 -1 O TYR F 98 N VAL F 40 SHEET 5 AB4 5 ALA F 119 TRP F 123 -1 O TYR F 122 N ARG F 101 SHEET 1 AB5 2 PHE F 106 LYS F 107 0 SHEET 2 AB5 2 TYR F 114 TYR F 115 -1 O TYR F 114 N LYS F 107 SHEET 1 AB6 4 MET G 5 GLN G 7 0 SHEET 2 AB6 4 THR G 21 ALA G 26 -1 O ARG G 25 N THR G 6 SHEET 3 AB6 4 ASP G 71 ILE G 76 -1 O LEU G 74 N ILE G 22 SHEET 4 AB6 4 PHE G 63 SER G 68 -1 N SER G 68 O ASP G 71 SHEET 1 AB7 6 SER G 11 ALA G 14 0 SHEET 2 AB7 6 THR G 103 ILE G 107 1 O GLU G 106 N ALA G 14 SHEET 3 AB7 6 THR G 86 GLN G 91 -1 N TYR G 87 O THR G 103 SHEET 4 AB7 6 VAL G 34 GLN G 39 -1 N TYR G 37 O TYR G 88 SHEET 5 AB7 6 LYS G 46 TYR G 50 -1 O LYS G 46 N GLN G 38 SHEET 6 AB7 6 SER G 54 LEU G 55 -1 O SER G 54 N TYR G 50 SSBOND 1 CYS H 25 CYS H 99 1555 1555 2.03 SSBOND 2 CYS L 24 CYS L 89 1555 1555 2.03 SSBOND 3 CYS F 25 CYS F 99 1555 1555 2.03 SSBOND 4 CYS G 24 CYS G 89 1555 1555 2.03 LINK OD1 ASN A 314 MG MG A 402 1555 1555 2.77 LINK OD1 ASP D 253 MG MG D 401 1555 1555 2.52 LINK MG MG D 401 OD1 ASP E 89 1555 1555 2.70 CISPEP 1 SER L 8 PRO L 9 0 1.94 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 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