Project name: a0846f970e9da4 [mutate: SA1025G] [mutate: HA1060L]

Status: done

submitted: 2019-12-03 18:22:06, status changed: 2019-12-24 15:04:31
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Chain sequence(s) A: SVSIYPSSAEVLKACRNLGKNGLSNSSILLDKCPPPRPPSSPYPPLPKDKLNPPTPSIYLENKRDAFFPPLHQFCTNPNNPVTVIRGLAGALKLDLGLFSTKTLVEANNEHMVEVRTQLLQPADENWDPTGTKKIWHCEGNRSHTTIAKYAQYQASSFQESLREENEKRSHHKDHSDSESTSSDNSGRRRKGPFKTIKFGTNIDLSDDKKWKLQLHELTKLPAFVRVVSAGNLLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFVVPEGYWGVLNDFCEKNNLNFLMGSWWPNLEDLYEANVPVYRFIQRPGDLVWINAGTVHWVQAIGWCNNIAWNVGPLTACQYKLAVERYEWNKLQSVKSIVPMVHLSWNMARNIKVSDPKLFEMIKYCLLRTLKQCQTLREALIAAGKEIIWHGRTKEEPAHYCSICEVEVFDLLFVTNESNSRKTYIVHCQDCARKTSGNLENFVVLEQYKMEDLMQVYDQFTLAP
B: RKQLATKAARSAPAT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA1060L
Energy difference between WT (input) and mutated protein (by FoldX) -0.192863 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
-5.2495
Maximal score value
2.3419
Average score
-0.8347
Total score value
-437.4072

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 0.8735
887 V A 2.1707
888 S A 1.6148
889 I A 2.3419
890 Y A 1.1057
891 P A 0.0862
892 S A -0.9629
893 S A 0.0000
894 A A -1.3306
895 E A -1.7960
896 V A 0.0000
897 L A -1.4510
898 K A -2.0863
899 A A -1.3070
900 C A -1.4829
901 R A -2.8082
902 N A -2.0396
903 L A -0.3580
904 G A -1.3711
905 K A -2.5400
906 N A -2.3014
907 G A -1.2104
908 L A -0.2337
909 S A -1.2371
910 N A -1.6441
911 S A -0.3838
912 S A 0.1416
913 I A 0.9174
914 L A 0.6280
915 L A 0.6001
916 D A -1.7434
917 K A -1.8001
918 C A -0.5259
919 P A -0.6757
920 P A -1.0049
921 P A -1.5289
922 R A -2.1883
923 P A -1.3174
924 P A -0.8515
925 S A -0.6033
926 S A -0.1515
927 P A 0.2772
928 Y A 1.0007
929 P A 0.4519
930 P A -0.2050
931 L A -0.8543
932 P A -1.9222
933 K A -3.4434
934 D A -3.6310
935 K A -3.4636
936 L A 0.0000
937 N A -2.5498
938 P A -1.6101
939 P A -0.9168
940 T A -0.3955
941 P A -0.1599
942 S A 0.3573
943 I A 0.6639
944 Y A 0.8009
945 L A -1.0134
946 E A -2.5141
947 N A -2.7674
948 K A -2.5743
949 R A -2.1649
950 D A -1.2495
951 A A 0.0000
952 F A 1.2031
953 F A 1.4810
954 P A 0.6533
955 P A 0.0911
956 L A 0.0000
957 H A -0.5557
958 Q A -1.2537
959 F A -0.6331
960 C A 0.0000
961 T A -0.8202
962 N A -1.3268
963 P A -1.2885
964 N A -1.6483
965 N A -0.9403
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 -0.2630
972 G A -0.8793
973 L A 0.0000
974 A A 0.0000
975 G A -1.9116
976 A A 0.0000
977 L A 0.0000
978 K A -2.6584
979 L A 0.0000
980 D A -2.2139
981 L A -1.0497
982 G A -0.9761
983 L A -0.3787
984 F A 0.0000
985 S A -0.8287
986 T A -1.2178
987 K A -2.3513
988 T A -1.5410
989 L A 0.0000
990 V A -2.3016
991 E A -2.6442
992 A A -1.6817
993 N A -1.6666
994 N A -2.6749
995 E A -2.6254
996 H A -1.2528
997 M A -0.2740
998 V A 0.0000
999 E A 0.0000
1000 V A 0.0000
1001 R A 0.0000
1002 T A -1.1165
1003 Q A 0.0000
1004 L A -0.4830
1005 L A -0.1412
1006 Q A -0.2870
1007 P A -0.3603
1008 A A -0.1415
1009 D A -0.6284
1010 E A -0.9087
1011 N A 0.0000
1012 W A -0.7767
1013 D A -0.9750
1014 P A -0.8041
1015 T A -0.5163
1016 G A 0.0000
1017 T A -1.0078
1018 K A -1.8154
1019 K A -1.3316
1020 I A -0.5857
1021 W A 0.0000
1022 H A -1.0544
1023 C A 0.0000
1024 E A -1.3463
1025 G A 0.0000
1026 N A -1.8469
1027 R A -2.5087
1028 S A -1.7805
1029 H A -1.3501
1030 T A -1.0577
1031 T A -1.3889
1032 I A 0.0000
1033 A A -2.2531
1034 K A -2.4186
1035 Y A 0.0000
1036 A A 0.0000
1037 Q A -1.6797
1038 Y A -0.6922
1039 Q A 0.0000
1040 A A -0.6897
1041 S A -0.7245
1042 S A -0.3973
1043 F A 0.2073
1044 Q A -1.4327
1045 E A -2.6325
1046 S A -1.8482
1047 L A -2.1764
1048 R A -4.3825
1049 E A -4.7197
1050 E A -4.4167
1051 N A -4.7201
1052 E A -4.9680
1053 K A -5.2495
1054 R A -4.4211
1055 S A -3.0981
1056 H A -2.9506
1057 H A -2.9005
1058 K A -3.2026
1059 D A -2.2517
1060 L A -0.0823 mutated: HA1060L
1061 S A -0.7494
1062 D A -1.7402
1063 S A -1.6526
1064 E A -2.4989
1065 S A -2.4715
1066 T A -2.4909
1067 S A -2.5051
1068 S A -3.9134
1069 D A -4.5930
1070 N A -4.1437
1071 S A -2.7592
1072 G A -2.2201
1073 R A -3.9767
1074 R A -4.4488
1075 R A -4.0900
1076 K A -3.2045
1077 G A 0.0000
1078 P A -1.2984
1079 F A -1.0713
1080 K A -1.5254
1081 T A -0.8098
1082 I A 0.0000
1083 K A -0.9861
1084 F A 0.0000
1085 G A 0.0000
1086 T A 0.0000
1087 N A 0.0000
1088 I A 0.0000
1089 D A -0.3073
1090 L A 0.0000
1091 S A -1.4754
1092 D A -2.7651
1093 D A -3.6944
1094 K A -3.4331
1095 K A -2.4632
1096 W A 0.0000
1097 K A -2.6821
1098 L A -0.2638
1099 Q A 0.0000
1100 L A -1.1044
1101 H A -1.1524
1102 E A 0.0000
1103 L A 0.0000
1104 T A -0.6216
1105 K A -1.4826
1106 L A 0.0000
1107 P A 0.0000
1108 A A 0.2143
1109 F A 0.1521
1110 V A 0.0000
1111 R A -0.0365
1112 V A 0.7786
1113 V A 1.5714
1114 S A 0.6302
1115 A A 0.0939
1116 G A -0.0128
1117 N A 0.0000
1118 L A 0.0000
1119 L A 0.0000
1120 S A 0.1634
1121 H A -0.4827
1122 V A 0.0000
1123 G A -1.4535
1124 H A -1.2937
1125 T A -0.5650
1126 I A 0.0000
1127 L A -0.1292
1128 G A -0.1896
1129 M A 0.0000
1130 N A 0.1033
1131 T A -0.1222
1132 V A 0.0000
1133 Q A 0.0000
1134 L A 0.0000
1135 Y A 0.1523
1136 M A 0.0000
1137 K A 0.0000
1138 V A 0.0000
1139 P A 0.4302
1140 G A 0.2231
1141 S A 0.0000
1142 R A 0.0000
1143 T A -0.0495
1144 P A 0.0000
1145 G A 0.0000
1146 H A -0.1989
1147 Q A -0.5262
1148 E A -0.6466
1149 N A -0.9615
1150 N A 0.0000
1151 N A 0.0000
1152 F A 0.0000
1153 C A 0.0000
1154 S A -0.1568
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 -0.5974
1162 G A -0.4843
1163 D A -0.6165
1164 C A 0.0000
1165 E A 0.0000
1166 W A 0.0000
1167 F A 0.0000
1168 V A 0.0000
1169 V A 0.0000
1170 P A -0.6055
1171 E A -0.9022
1172 G A -0.4091
1173 Y A 0.0000
1174 W A 0.0000
1175 G A 0.0000
1176 V A -0.5396
1177 L A 0.0000
1178 N A -1.6150
1179 D A -2.9181
1180 F A -2.1716
1181 C A 0.0000
1182 E A -3.9377
1183 K A -3.6341
1184 N A -2.7394
1185 N A -2.9859
1186 L A -2.0072
1187 N A -1.5607
1188 F A 0.0000
1189 L A 0.3612
1190 M A 0.8924
1191 G A -0.0486
1192 S A 0.0000
1193 W A 0.0000
1194 W A 0.0000
1195 P A 0.0000
1196 N A -1.0608
1197 L A 0.0000
1198 E A -2.6154
1199 D A -1.9975
1200 L A 0.0000
1201 Y A -1.9559
1202 E A -2.6303
1203 A A -1.4374
1204 N A -1.8302
1205 V A 0.0000
1206 P A 0.0000
1207 V A 0.0000
1208 Y A -0.7692
1209 R A -0.9847
1210 F A 0.0000
1211 I A 0.4190
1212 Q A 0.0000
1213 R A -1.3247
1214 P A -0.9428
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 1.0123
1232 G A 0.3625
1233 W A 0.4704
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 0.4222
1245 T A -0.2331
1246 A A -0.7789
1247 C A -0.3634
1248 Q A 0.0000
1249 Y A 0.0000
1250 K A -1.5216
1251 L A 0.0000
1252 A A 0.0000
1253 V A -1.1256
1254 E A -2.4743
1255 R A 0.0000
1256 Y A 0.0000
1257 E A -1.6940
1258 W A -1.2989
1259 N A 0.0000
1260 K A -1.2516
1261 L A -0.0701
1262 Q A -0.4784
1263 S A -0.5707
1264 V A -0.3830
1265 K A -1.0778
1266 S A 0.0000
1267 I A 0.0000
1268 V A 0.0000
1269 P A 0.0000
1270 M A 0.0000
1271 V A 0.2276
1272 H A -0.0748
1273 L A 0.0000
1274 S A 0.0000
1275 W A 0.0000
1276 N A -0.8599
1277 M A 0.0000
1278 A A 0.0000
1279 R A -1.9758
1280 N A -1.8458
1281 I A -1.4483
1282 K A -2.0300
1283 V A 0.0000
1284 S A -1.2352
1285 D A -1.9241
1286 P A -1.6574
1287 K A -2.3652
1288 L A 0.0000
1289 F A -1.1208
1290 E A -0.9274
1291 M A -0.6258
1292 I A 0.0000
1293 K A 0.0000
1294 Y A 0.5149
1295 C A 0.1012
1296 L A 0.0000
1297 L A 0.0000
1298 R A -1.1072
1299 T A -0.6701
1300 L A 0.0000
1301 K A -1.1186
1302 Q A -1.8092
1303 C A 0.0000
1304 Q A 0.0000
1305 T A -1.1749
1306 L A -0.4931
1307 R A -0.8113
1308 E A -0.9776
1309 A A -0.2253
1310 L A 0.0000
1311 I A 0.8016
1312 A A 0.2790
1313 A A -0.1955
1314 G A -0.3987
1315 K A -0.9272
1316 E A -1.0677
1317 I A 0.4137
1318 I A 1.4144
1319 W A 0.7269
1320 H A 0.0000
1321 G A -0.5994
1322 R A -1.6521
1323 T A -1.9457
1324 K A -3.0037
1325 E A -3.1315
1326 E A -2.0994
1327 P A -1.3648
1328 A A 0.0000
1329 H A 0.0000
1330 Y A -0.0742
1331 C A 0.0000
1332 S A 0.1818
1333 I A 1.1136
1334 C A -0.0522
1335 E A -0.6001
1336 V A -0.2094
1337 E A 0.0000
1338 V A 0.0000
1339 F A 0.1801
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 -0.8920
1346 N A -1.9971
1347 E A -1.9392
1348 S A -1.5643
1349 N A -2.2650
1350 S A -2.5096
1351 R A -3.2667
1352 K A -3.4713
1353 T A -2.1801
1354 Y A -1.1941
1355 I A -0.0156
1356 V A 0.0000
1357 H A 0.0000
1358 C A 0.0000
1359 Q A -1.7656
1360 D A -2.9623
1361 C A 0.0000
1362 A A 0.0000
1363 R A -4.0639
1364 K A -3.3964
1365 T A -2.3801
1366 S A -2.6390
1367 G A -2.8185
1368 N A -2.9420
1369 L A 0.0000
1370 E A -3.1273
1371 N A -2.3033
1372 F A 0.0000
1373 V A -0.2269
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 -2.0734
1380 M A 0.0000
1381 E A -2.7938
1382 D A -2.4246
1383 L A 0.0000
1384 M A -1.8664
1385 Q A -2.7184
1386 V A -1.9490
1387 Y A 0.0000
1388 D A -2.1511
1389 Q A -2.1078
1390 F A 0.0000
1391 T A -0.7585
1392 L A -0.2806
1393 A A -0.5705
1394 P A -0.5991
17 R B -2.4746
18 K B -2.4942
19 Q B -2.1733
20 L B -0.9806
21 A B -0.8243
22 T B -0.9228
23 K B -1.7688
24 A B -0.8873
25 A B -0.7018
26 R B -0.7335
28 S B -0.3816
29 A B -0.2318
30 P B -0.2822
31 A B -0.8421
32 T B -0.9598

 

Laboratory of Theory of Biopolymers 2015