Project name: 81d485b5314b527 [mutate: RA1255W]

Status: done

submitted: 2019-12-04 21:04:14, status changed: 2019-12-24 15:02:04
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Chain sequence(s) A: SVSIYPSSAEVLKACRNLGKNGLSNSSILLDKCPPPRPPSSPYPPLPKDKLNPPTPSIYLENKRDAFFPPLHQFCTNPNNPVTVIRGLAGALKLDLGLFSTKTLVEANNEHMVEVRTQLLQPADENWDPTGTKKIWHCESNRSHTTIAKYAQYQASSFQESLREENEKRSHHKDHSDSESTSSDNSGRRRKGPFKTIKFGTNIDLSDDKKWKLQLHELTKLPAFVRVVSAGNLLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFVVPEGYWGVLNDFCEKNNLNFLMGSWWPNLEDLYEANVPVYRFIQRPGDLVWINAGTVHWVQAIGWCNNIAWNVGPLTACQYKLAVERYEWNKLQSVKSIVPMVHLSWNMARNIKVSDPKLFEMIKYCLLRTLKQCQTLREALIAAGKEIIWHGRTKEEPAHYCSICEVEVFDLLFVTNESNSRKTYIVHCQDCARKTSGNLENFVVLEQYKMEDLMQVYDQFTLAPP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA1255W
Energy difference between WT (input) and mutated protein (by FoldX) -0.110856 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.8427
Maximal score value
2.3501
Average score
-0.7171
Total score value
-365.0104

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
886 S A 0.8511
887 V A 2.1422
888 S A 1.5725
889 I A 2.3501
890 Y A 1.1658
891 P A 0.1212
892 S A -0.7722
893 S A 0.0000
894 A A -1.1754
895 E A -1.5069
896 V A 0.0000
897 L A -1.2032
898 K A -2.0058
899 A A 0.0000
900 C A -1.1756
901 R A -2.1885
902 N A -2.0432
903 L A -0.6262
904 G A -1.3947
905 K A -2.5610
906 N A -2.3531
907 G A -1.1693
908 L A -0.1764
909 S A -1.1450
910 N A -1.4723
911 S A -0.5102
912 S A 0.0255
913 I A 0.3779
914 L A 0.3806
915 L A 0.4799
916 D A -1.7839
917 K A -1.7659
918 C A -0.4008
919 P A -0.6209
920 P A -0.8617
921 P A -1.3511
922 R A -2.1613
923 P A -1.4014
924 P A -0.8859
925 S A -0.5126
926 S A -0.2563
927 P A 0.2224
928 Y A 0.9990
929 P A 0.4320
930 P A -0.2949
931 L A -0.9918
932 P A -1.9768
933 K A -3.5605
934 D A -3.6964
935 K A -3.5246
936 L A 0.0000
937 N A -2.6345
938 P A -1.6377
939 P A -0.8576
940 T A -0.3598
941 P A -0.2185
942 S A 0.1517
943 I A 0.7084
944 Y A 0.6260
945 L A 0.0000
946 E A -2.7579
947 N A -3.1120
948 K A -2.9328
949 R A -2.1513
950 D A -0.9512
951 A A 0.0000
952 F A 1.3263
953 F A 1.6487
954 P A 0.5997
955 P A 0.1571
956 L A 0.0000
957 H A -0.3358
958 Q A -1.0888
959 F A -0.4526
960 C A 0.0000
961 T A -0.7738
962 N A -1.2352
963 P A -1.2307
964 N A -1.6125
965 N A -0.9544
966 P A 0.0000
967 V A 0.0000
968 T A 0.0000
969 V A 0.0000
970 I A 0.0000
971 R A -0.3027
972 G A -1.0321
973 L A 0.0000
974 A A 0.0000
975 G A -2.1469
976 A A 0.0000
977 L A 0.0000
978 K A -2.7618
979 L A 0.0000
980 D A -2.0766
981 L A -1.0045
982 G A -0.9453
983 L A -0.3733
984 F A 0.0000
985 S A -0.9622
986 T A -1.2623
987 K A -2.2124
988 T A -1.5138
989 L A 0.0000
990 V A -2.3197
991 E A -2.6120
992 A A -1.7953
993 N A -1.6617
994 N A -2.6376
995 E A -2.5287
996 H A -1.1263
997 M A -0.2330
998 V A 0.0000
999 E A -1.2292
1000 V A 0.0000
1001 R A -2.2496
1002 T A -1.5703
1003 Q A 0.0000
1004 L A -0.0641
1005 L A 0.2574
1006 Q A 0.0000
1007 P A -0.3257
1008 A A -0.0522
1009 D A -0.5109
1010 E A -0.7166
1011 N A 0.0000
1012 W A -0.7141
1013 D A 0.0000
1014 P A -0.4428
1015 T A -0.7448
1016 G A 0.0000
1017 T A -1.1754
1018 K A -1.7745
1019 K A -1.1108
1020 I A -0.4354
1021 W A 0.0000
1022 H A -1.0395
1023 C A 0.0000
1024 E A -1.0879
1025 S A -1.6431
1026 N A -2.5521
1027 R A -3.0876
1028 S A -2.0034
1029 H A -1.3354
1030 T A -0.9015
1031 T A 0.0000
1032 I A 0.0000
1033 A A -2.2840
1034 K A -2.3609
1035 Y A 0.0000
1036 A A -1.4335
1037 Q A -1.6545
1038 Y A -0.7358
1039 Q A 0.0000
1040 A A -0.5222
1041 S A -0.6064
1042 S A -0.3439
1043 F A 0.1674
1044 Q A -1.1513
1045 E A -1.5615
1046 S A -1.2712
1047 L A -1.4565
1048 R A -3.0428
1049 E A -3.0374
1050 E A -3.3989
1051 N A -3.7697
1052 E A -3.8347
1053 K A -3.2889
1054 R A -3.6205
1055 S A -2.8112
1056 H A -2.7065
1057 H A -2.9067
1058 K A -3.5270
1059 D A -2.7470
1060 H A -2.0112
1061 S A -1.5542
1062 D A -1.4836
1063 S A -1.6478
1064 E A -2.2291
1065 S A -2.0428
1066 T A 0.0000
1067 S A -1.8805
1068 S A -2.8655
1069 D A -2.9923
1070 N A -3.0033
1071 S A -1.9750
1072 G A -1.9117
1073 R A -3.5707
1074 R A -3.8427
1075 R A -3.8218
1076 K A -3.1646
1077 G A -1.6401
1078 P A -1.0468
1079 F A -0.6149
1080 K A -0.2091
1081 T A -0.2153
1082 I A 0.0000
1083 K A -1.2494
1084 F A 0.0000
1085 G A 0.0000
1086 T A 0.0000
1087 N A -0.7619
1088 I A 0.0000
1089 D A -0.2733
1090 L A 0.0000
1091 S A -1.1599
1092 D A -2.5295
1093 D A -3.7874
1094 K A -3.5657
1095 K A -2.8447
1096 W A 0.0000
1097 K A -3.0568
1098 L A -0.9111
1099 Q A 0.0000
1100 L A -1.3752
1101 H A -1.4419
1102 E A 0.0000
1103 L A 0.0000
1104 T A -0.5673
1105 K A -1.4500
1106 L A 0.0000
1107 P A 0.0000
1108 A A 0.3391
1109 F A 0.3197
1110 V A 0.0000
1111 R A 0.1381
1112 V A 0.8148
1113 V A 1.6196
1114 S A 0.7081
1115 A A 0.3030
1116 G A 0.1157
1117 N A 0.0000
1118 L A 0.0000
1119 L A 0.0000
1120 S A 0.2908
1121 H A -0.3569
1122 V A 0.0000
1123 G A -1.2010
1124 H A -1.1427
1125 T A -0.1977
1126 I A 0.0000
1127 L A 1.1483
1128 G A 0.0000
1129 M A 0.0000
1130 N A 0.4810
1131 T A 0.2567
1132 V A 0.0000
1133 Q A -0.2965
1134 L A 0.0000
1135 Y A -0.1215
1136 M A 0.0000
1137 K A 0.0000
1138 V A 0.0000
1139 P A 0.4444
1140 G A 0.2598
1141 S A 0.0000
1142 R A 0.0000
1143 T A -0.1705
1144 P A -0.2773
1145 G A 0.0000
1146 H A -0.2277
1147 Q A -0.4972
1148 E A -0.4712
1149 N A -0.3914
1150 N A 0.0000
1151 N A 0.0000
1152 F A 0.0000
1153 C A 0.0000
1154 S A 0.0000
1155 V A 0.0000
1156 N A 0.0000
1157 I A 0.0000
1158 N A 0.0000
1159 I A 0.0000
1160 G A 0.0000
1161 P A -0.5705
1162 G A -0.3920
1163 D A -0.5159
1164 C A 0.0000
1165 E A 0.0658
1166 W A 0.0000
1167 F A 0.0000
1168 V A 0.0000
1169 V A 0.0000
1170 P A -0.5438
1171 E A -0.7296
1172 G A -0.3336
1173 Y A 0.0000
1174 W A 0.0000
1175 G A 0.0000
1176 V A -0.3041
1177 L A 0.0000
1178 N A 0.0000
1179 D A -1.9446
1180 F A -1.5186
1181 C A 0.0000
1182 E A -2.9966
1183 K A -3.1563
1184 N A -2.5318
1185 N A -2.8766
1186 L A 0.0000
1187 N A -1.2346
1188 F A 0.0000
1189 L A 0.2849
1190 M A 0.9381
1191 G A -0.2208
1192 S A -0.3760
1193 W A 0.0000
1194 W A 0.0000
1195 P A 0.0000
1196 N A 0.0000
1197 L A 0.0000
1198 E A -1.9555
1199 D A -1.6897
1200 L A 0.0000
1201 Y A -2.2360
1202 E A -2.5645
1203 A A -1.4010
1204 N A -2.0426
1205 V A 0.0000
1206 P A 0.0000
1207 V A 0.0000
1208 Y A -0.5935
1209 R A -0.7422
1210 F A 0.1204
1211 I A 0.3722
1212 Q A 0.0000
1213 R A -1.1318
1214 P A -0.8931
1215 G A 0.0000
1216 D A 0.0000
1217 L A 0.0000
1218 V A 0.0000
1219 W A 0.0000
1220 I A 0.0000
1221 N A 0.0000
1222 A A 0.0000
1223 G A 0.0000
1224 T A 0.0000
1225 V A 0.0000
1226 H A 0.0000
1227 W A 0.0000
1228 V A 0.0000
1229 Q A 0.0000
1230 A A 0.0000
1231 I A 1.0353
1232 G A 0.3405
1233 W A 0.3876
1234 C A 0.0000
1235 N A 0.0000
1236 N A 0.0000
1237 I A 0.0000
1238 A A 0.0000
1239 W A 0.0000
1240 N A 0.0000
1241 V A 0.0000
1242 G A 0.0000
1243 P A 0.0000
1244 L A 0.3574
1245 T A -0.1817
1246 A A 0.0000
1247 C A -0.0754
1248 Q A 0.0000
1249 Y A 0.0000
1250 K A -1.1272
1251 L A -0.7453
1252 A A 0.0000
1253 V A -0.9510
1254 E A -2.3155
1255 W A 0.0000 mutated: RA1255W
1256 Y A 0.0000
1257 E A -0.9980
1258 W A 0.0000
1259 N A 0.0000
1260 K A -0.5324
1261 L A 0.5748
1262 Q A -0.2598
1263 S A -0.0715
1264 V A -0.0085
1265 K A -0.5947
1266 S A 0.0000
1267 I A 0.9562
1268 V A 0.0000
1269 P A 0.0000
1270 M A 0.0000
1271 V A 0.0000
1272 H A 0.0000
1273 L A 0.0000
1274 S A 0.0000
1275 W A 0.0000
1276 N A -0.8354
1277 M A 0.0000
1278 A A 0.0000
1279 R A -2.0653
1280 N A -2.0205
1281 I A -1.3633
1282 K A -2.1224
1283 V A 0.0000
1284 S A -1.1877
1285 D A -1.7594
1286 P A -1.6481
1287 K A -2.2106
1288 L A 0.0000
1289 F A -1.1230
1290 E A -0.9358
1291 M A -0.5709
1292 I A 0.0000
1293 K A 0.0000
1294 Y A 0.6434
1295 C A 0.0000
1296 L A 0.0000
1297 L A 0.0000
1298 R A -1.0347
1299 T A -0.6546
1300 L A 0.0000
1301 K A -1.2981
1302 Q A -1.6764
1303 C A 0.0000
1304 Q A 0.0000
1305 T A -0.4183
1306 L A -0.2121
1307 R A -0.2582
1308 E A -0.0807
1309 A A 0.3858
1310 L A 0.0000
1311 I A 1.2183
1312 A A 0.5370
1313 A A -0.1260
1314 G A -0.4188
1315 K A -1.0100
1316 E A -1.0428
1317 I A 0.3232
1318 I A 1.1570
1319 W A 0.9811
1320 H A 0.3726
1321 G A 0.0000
1322 R A -1.2280
1323 T A -1.8300
1324 K A -2.8862
1325 E A -3.0248
1326 E A -2.0816
1327 P A -1.2951
1328 A A -0.4147
1329 H A -0.0520
1330 Y A 0.3393
1331 C A 0.0000
1332 S A 0.9296
1333 I A 1.5942
1334 C A 0.3277
1335 E A -0.0619
1336 V A 0.2059
1337 E A -0.1289
1338 V A 0.0000
1339 F A 0.2699
1340 D A 0.0000
1341 L A 0.0000
1342 L A 0.0000
1343 F A 0.0000
1344 V A 0.0000
1345 T A -1.4569
1346 N A -2.6789
1347 E A -2.4437
1348 S A 0.0000
1349 N A -2.0124
1350 S A -2.3818
1351 R A -3.1036
1352 K A -2.7659
1353 T A -1.2352
1354 Y A -0.3431
1355 I A 0.6754
1356 V A 0.0000
1357 H A 0.0000
1358 C A -0.4886
1359 Q A -1.5476
1360 D A -2.4546
1361 C A 0.0000
1362 A A 0.0000
1363 R A -3.1423
1364 K A -2.8865
1365 T A -2.0733
1366 S A 0.0000
1367 G A -2.5452
1368 N A -2.6754
1369 L A 0.0000
1370 E A -3.0621
1371 N A -2.5887
1372 F A 0.0000
1373 V A 0.0000
1374 V A 0.0000
1375 L A 0.0000
1376 E A 0.0000
1377 Q A 0.0000
1378 Y A 0.0000
1379 K A -2.2251
1380 M A 0.0000
1381 E A -2.9261
1382 D A -2.5916
1383 L A 0.0000
1384 M A -1.9463
1385 Q A -2.6496
1386 V A 0.0000
1387 Y A 0.0000
1388 D A -1.5755
1389 Q A -2.1110
1390 F A 0.0000
1391 T A -0.8951
1392 L A -0.6564
1393 A A -0.6924
1394 P A -0.5988

 

Laboratory of Theory of Biopolymers 2015