Project name: a0846f970e9da4 [mutate: SA1025G] [mutate: HA1060L] [mutate: EA1148A]

Status: done

submitted: 2019-12-03 18:58:03, status changed: 2019-12-24 15:03:38
Settings
Chain sequence(s) A: SVSIYPSSAEVLKACRNLGKNGLSNSSILLDKCPPPRPPSSPYPPLPKDKLNPPTPSIYLENKRDAFFPPLHQFCTNPNNPVTVIRGLAGALKLDLGLFSTKTLVEANNEHMVEVRTQLLQPADENWDPTGTKKIWHCEGNRSHTTIAKYAQYQASSFQESLREENEKRSHHKDLSDSESTSSDNSGRRRKGPFKTIKFGTNIDLSDDKKWKLQLHELTKLPAFVRVVSAGNLLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFVVPEGYWGVLNDFCEKNNLNFLMGSWWPNLEDLYEANVPVYRFIQRPGDLVWINAGTVHWVQAIGWCNNIAWNVGPLTACQYKLAVERYEWNKLQSVKSIVPMVHLSWNMARNIKVSDPKLFEMIKYCLLRTLKQCQTLREALIAAGKEIIWHGRTKEEPAHYCSICEVEVFDLLFVTNESNSRKTYIVHCQDCARKTSGNLENFVVLEQYKMEDLMQVYDQFTLAP
B: RKQLATKAARSAPAT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA1148A
Energy difference between WT (input) and mutated protein (by FoldX) 0.828058 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
-5.249
Maximal score value
2.3224
Average score
-0.8363
Total score value
-438.2465

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 2.1700
888 S A 1.6138
889 I A 2.3224
890 Y A 1.0497
891 P A 0.0553
892 S A -0.9627
893 S A 0.0000
894 A A -1.3316
895 E A -1.8226
896 V A 0.0000
897 L A -1.4618
898 K A -2.0889
899 A A -1.3562
900 C A -1.5152
901 R A -2.8005
902 N A -2.0402
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 -1.2597
910 N A -1.6654
911 S A -0.4122
912 S A 0.0683
913 I A 0.7578
914 L A 0.6169
915 L A 0.5083
916 D A -1.8277
917 K A -1.8986
918 C A -0.7322
919 P A -0.7681
920 P A -1.0510
921 P A -1.5454
922 R A -2.1862
923 P A -1.3164
924 P A -0.8515
925 S A -0.6023
926 S A -0.1515
927 P A 0.2772
928 Y A 1.0007
929 P A 0.4516
930 P A -0.2056
931 L A -0.8559
932 P A -1.9234
933 K A -3.4397
934 D A -3.6320
935 K A -3.4703
936 L A 0.0000
937 N A -2.5514
938 P A -1.6124
939 P A -0.9177
940 T A -0.3954
941 P A -0.1597
942 S A 0.3583
943 I A 0.6651
944 Y A 0.8024
945 L A -1.0092
946 E A -2.5102
947 N A -2.7600
948 K A -2.5593
949 R A -2.1576
950 D A -1.2444
951 A A 0.0000
952 F A 1.2061
953 F A 1.4828
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 -0.8211
962 N A -1.3273
963 P A -1.2893
964 N A -1.6483
965 N A -0.9402
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 -0.2579
972 G A -0.8760
973 L A 0.0000
974 A A 0.0000
975 G A -1.9089
976 A A 0.0000
977 L A 0.0000
978 K A -2.6566
979 L A 0.0000
980 D A -2.2139
981 L A -1.0497
982 G A -0.9761
983 L A -0.3800
984 F A 0.0000
985 S A -0.8287
986 T A -1.2178
987 K A -2.3513
988 T A -1.5409
989 L A 0.0000
990 V A -2.3016
991 E A -2.6441
992 A A -1.6824
993 N A -1.6666
994 N A -2.6749
995 E A -2.6254
996 H A -1.2524
997 M A -0.2734
998 V A 0.0000
999 E A 0.0000
1000 V A 0.0000
1001 R A 0.0000
1002 T A -1.1175
1003 Q A 0.0000
1004 L A -0.4825
1005 L A -0.1392
1006 Q A -0.2850
1007 P A -0.3598
1008 A A -0.1411
1009 D A -0.6281
1010 E A -0.9085
1011 N A 0.0000
1012 W A -0.7761
1013 D A -0.9753
1014 P A -0.8022
1015 T A -0.5130
1016 G A 0.0000
1017 T A -1.0064
1018 K A -1.8158
1019 K A -1.3319
1020 I A -0.5868
1021 W A 0.0000
1022 H A -1.0568
1023 C A 0.0000
1024 E A -1.3521
1025 G A 0.0000
1026 N A -1.8484
1027 R A -2.5087
1028 S A -1.7806
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 -1.6780
1038 Y A -0.6900
1039 Q A 0.0000
1040 A A -0.6855
1041 S A -0.7210
1042 S A -0.3930
1043 F A 0.2173
1044 Q A -1.4338
1045 E A -2.6338
1046 S A -1.8506
1047 L A -2.1850
1048 R A -4.3869
1049 E A -4.7215
1050 E A -4.4184
1051 N A -4.7213
1052 E A -4.9675
1053 K A -5.2490
1054 R A -4.4192
1055 S A -3.0915
1056 H A -2.9464
1057 H A -2.8933
1058 K A -3.1876
1059 D A -2.2278
1060 L A -0.0700
1061 S A -0.7404
1062 D A -1.7256
1063 S A -1.6369
1064 E A -2.4757
1065 S A -2.4561
1066 T A -2.4818
1067 S A -2.4974
1068 S A -3.9076
1069 D A -4.5837
1070 N A -4.1391
1071 S A -2.7568
1072 G A -2.2195
1073 R A -3.9773
1074 R A -4.4511
1075 R A -4.0873
1076 K A -3.2026
1077 G A 0.0000
1078 P A -1.2820
1079 F A -1.0620
1080 K A -1.5194
1081 T A -0.8084
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 -0.3067
1090 L A 0.0000
1091 S A -1.4823
1092 D A -2.7821
1093 D A -3.7050
1094 K A -3.4396
1095 K A -2.4698
1096 W A 0.0000
1097 K A -2.6905
1098 L A -0.2734
1099 Q A 0.0000
1100 L A -1.1132
1101 H A -1.1642
1102 E A 0.0000
1103 L A 0.0000
1104 T A -0.6275
1105 K A -1.4900
1106 L A 0.0000
1107 P A 0.0000
1108 A A 0.2124
1109 F A 0.1512
1110 V A 0.0000
1111 R A -0.0399
1112 V A 0.7778
1113 V A 1.5707
1114 S A 0.6295
1115 A A 0.0938
1116 G A -0.0141
1117 N A 0.0000
1118 L A 0.0000
1119 L A 0.0000
1120 S A 0.1629
1121 H A -0.4820
1122 V A 0.0000
1123 G A -1.4543
1124 H A -1.2950
1125 T A -0.5658
1126 I A 0.0000
1127 L A -0.1290
1128 G A -0.1896
1129 M A 0.0000
1130 N A 0.1022
1131 T A -0.1241
1132 V A 0.0000
1133 Q A 0.0000
1134 L A 0.0000
1135 Y A 0.1527
1136 M A 0.0000
1137 K A 0.0000
1138 V A 0.0000
1139 P A 0.4319
1140 G A 0.2233
1141 S A 0.0000
1142 R A 0.0000
1143 T A -0.0542
1144 P A 0.0000
1145 G A 0.0000
1146 H A -0.1757
1147 Q A -0.4306
1148 A A -0.4239 mutated: EA1148A
1149 N A -0.8791
1150 N A 0.0000
1151 N A 0.0000
1152 F A 0.0000
1153 C A 0.0000
1154 S A -0.1184
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 -0.5952
1162 G A -0.4811
1163 D A -0.6114
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 -0.5363
1177 L A 0.0000
1178 N A -1.6114
1179 D A -2.9100
1180 F A -2.1672
1181 C A 0.0000
1182 E A -3.9363
1183 K A -3.6335
1184 N A -2.7420
1185 N A -2.9869
1186 L A -2.0097
1187 N A -1.5683
1188 F A 0.0000
1189 L A 0.3707
1190 M A 0.8714
1191 G A -0.0616
1192 S A 0.0000
1193 W A 0.0000
1194 W A 0.0000
1195 P A 0.0000
1196 N A -1.0600
1197 L A 0.0000
1198 E A -2.6146
1199 D A -1.9950
1200 L A 0.0000
1201 Y A -1.9552
1202 E A -2.6290
1203 A A -1.4362
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 0.4223
1212 Q A 0.0000
1213 R A -1.3111
1214 P A -0.9359
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 1.0137
1232 G A 0.3658
1233 W A 0.4736
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 0.4176
1245 T A -0.2387
1246 A A -0.7858
1247 C A -0.3720
1248 Q A 0.0000
1249 Y A 0.0000
1250 K A -1.5341
1251 L A 0.0000
1252 A A 0.0000
1253 V A -1.1235
1254 E A -2.4695
1255 R A 0.0000
1256 Y A 0.0000
1257 E A -1.6588
1258 W A -1.2759
1259 N A 0.0000
1260 K A -1.2078
1261 L A -0.0470
1262 Q A -0.4538
1263 S A -0.5513
1264 V A -0.3712
1265 K A -1.0746
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 0.2273
1272 H A -0.0754
1273 L A 0.0000
1274 S A 0.0000
1275 W A 0.0000
1276 N A -0.8585
1277 M A 0.0000
1278 A A 0.0000
1279 R A -1.9731
1280 N A -1.8401
1281 I A -1.4458
1282 K A -2.0292
1283 V A 0.0000
1284 S A -1.2368
1285 D A -1.9292
1286 P A -1.6589
1287 K A -2.3682
1288 L A 0.0000
1289 F A -1.1467
1290 E A -0.9767
1291 M A -0.6861
1292 I A 0.0000
1293 K A 0.0000
1294 Y A 0.3382
1295 C A 0.0036
1296 L A 0.0000
1297 L A 0.0000
1298 R A -1.1828
1299 T A -0.7279
1300 L A 0.0000
1301 K A -1.1905
1302 Q A -1.8371
1303 C A 0.0000
1304 Q A 0.0000
1305 T A -1.1691
1306 L A -0.4765
1307 R A -0.7750
1308 E A -0.9211
1309 A A -0.1959
1310 L A 0.0000
1311 I A 0.8219
1312 A A 0.2948
1313 A A -0.1867
1314 G A -0.3941
1315 K A -0.9257
1316 E A -1.0668
1317 I A 0.4146
1318 I A 1.4147
1319 W A 0.7270
1320 H A 0.0000
1321 G A -0.6021
1322 R A -1.6528
1323 T A -1.9479
1324 K A -3.0049
1325 E A -3.1326
1326 E A -2.1007
1327 P A -1.3662
1328 A A 0.0000
1329 H A 0.0000
1330 Y A -0.0727
1331 C A 0.0000
1332 S A 0.1828
1333 I A 1.1146
1334 C A -0.0444
1335 E A -0.5928
1336 V A -0.1937
1337 E A 0.0000
1338 V A 0.0000
1339 F A 0.1808
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 -0.8956
1346 N A -2.0041
1347 E A -1.9427
1348 S A -1.5662
1349 N A -2.2662
1350 S A -2.5114
1351 R A -3.2681
1352 K A -3.4715
1353 T A -2.1807
1354 Y A -1.1957
1355 I A -0.0174
1356 V A 0.0000
1357 H A 0.0000
1358 C A 0.0000
1359 Q A -1.7668
1360 D A -2.9620
1361 C A 0.0000
1362 A A 0.0000
1363 R A -4.0611
1364 K A -3.3940
1365 T A -2.3772
1366 S A -2.6350
1367 G A -2.8111
1368 N A -2.9384
1369 L A 0.0000
1370 E A -3.1258
1371 N A -2.3043
1372 F A 0.0000
1373 V A -0.2284
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 -2.0920
1380 M A 0.0000
1381 E A -2.8002
1382 D A -2.4313
1383 L A 0.0000
1384 M A -1.8698
1385 Q A -2.7204
1386 V A -1.9484
1387 Y A 0.0000
1388 D A -2.1512
1389 Q A -2.1078
1390 F A 0.0000
1391 T A -0.7588
1392 L A -0.2812
1393 A A -0.5709
1394 P A -0.5995
17 R B -2.4713
18 K B -2.4891
19 Q B -2.1708
20 L B -0.9790
21 A B -0.8240
22 T B -0.9226
23 K B -1.7689
24 A B -0.8874
25 A B -0.7025
26 R B -0.7370
28 S B -0.3855
29 A B -0.2379
30 P B -0.2906
31 A B -0.8454
32 T B -0.9614

 

Laboratory of Theory of Biopolymers 2015