| Chain sequence(s) |
A: ETCFLRYEDEECTLPIAGRHRMDACCCSVGAAWGTEECEECPMRNTPEYEELCPRGPGFATKEITNGKPFFKDINECKMIPSLCTHGKCRNTIGSFKCRCDSGFALDSEERNCTDIDECRISPDLCGRGQCVNTPGDFECKCDEGYESGFMMMKNCMDIDECQRDPLLCRGGVCHNTEGSYRCECPPGHQLSPNISACIDINECELSAHLCPNGRCVNLIGKYQCACNPGYHSTPDRLFCVDIDECSIMNGGCETFCTNSEGSYECSCQPGFALMPDQRSCTDIDECEDNPNICDGGQCTNIPGEYRCLCYDGFMASEDMKTCVDVNECDLNPNICLSGTCENTKGSFICHCDMGYSGKKGKTGCTDINECEIGAHNCGKHAVCTNTAGSFKCSCSPGWIGDGIKCTDLDECSNGTHMCSQHADCKNTMGSYRCLCKEGYTGDGFTCTDLDECSENLNLCGNGQCLNAPGGYRCECDMGFVPSADGKACEDIDECSLPNICVFGTCHNLPGLFRCECEIGYELDRSGGNCTDVNECLDPTTCISGNCVNTPGSYICDCPPDFELNPTRVGCVDTRSGNCYLDIRPRGDNGDTACSNEIGVGVSKASCCCSLGKAWGTPCEMCPAVNTSEYKILC
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f8d20a547121d4d/tmp/folded.pdb (00:06:07)
[INFO] Main: Simulation completed successfully. (00:08:46)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 956 | E | A | -2.8779 | |
| 957 | T | A | -1.9140 | |
| 958 | C | A | 0.0000 | |
| 959 | F | A | -0.5465 | |
| 960 | L | A | 0.0000 | |
| 961 | R | A | -1.7586 | |
| 962 | Y | A | -2.8376 | |
| 963 | E | A | -3.9747 | |
| 964 | D | A | -4.0986 | |
| 965 | E | A | -4.6053 | |
| 966 | E | A | -4.1058 | |
| 967 | C | A | -2.5767 | |
| 968 | T | A | -0.8479 | |
| 969 | L | A | 0.2111 | |
| 970 | P | A | -0.1928 | |
| 971 | I | A | 0.0000 | |
| 972 | A | A | -0.5847 | |
| 973 | G | A | -1.6311 | |
| 974 | R | A | -3.0875 | |
| 975 | H | A | -2.4162 | |
| 976 | R | A | -2.5557 | |
| 977 | M | A | -1.1399 | |
| 978 | D | A | 0.0000 | |
| 979 | A | A | -0.5930 | |
| 980 | C | A | 0.0000 | |
| 981 | C | A | 0.0000 | |
| 982 | C | A | 0.0000 | |
| 983 | S | A | -0.0129 | |
| 984 | V | A | -0.0128 | |
| 985 | G | A | -0.1099 | |
| 986 | A | A | -0.7699 | |
| 987 | A | A | 0.0000 | |
| 988 | W | A | -1.7992 | |
| 989 | G | A | 0.0000 | |
| 990 | T | A | -2.2408 | |
| 991 | E | A | -3.0701 | |
| 992 | E | A | -3.2473 | |
| 993 | C | A | -3.0802 | |
| 994 | E | A | -3.5800 | |
| 995 | E | A | -3.2902 | |
| 996 | C | A | -1.1743 | |
| 997 | P | A | -1.5405 | |
| 998 | M | A | -0.6991 | |
| 999 | R | A | -2.0734 | |
| 1000 | N | A | -2.4231 | |
| 1001 | T | A | -2.1607 | |
| 1002 | P | A | -2.6060 | |
| 1003 | E | A | -3.3023 | |
| 1004 | Y | A | 0.0000 | |
| 1005 | E | A | -4.1105 | |
| 1006 | E | A | -3.5482 | |
| 1007 | L | A | -1.9369 | |
| 1008 | C | A | 0.0000 | |
| 1009 | P | A | -2.4451 | |
| 1010 | R | A | -2.4028 | |
| 1011 | G | A | -1.9503 | |
| 1012 | P | A | -1.0843 | |
| 1013 | G | A | 0.0000 | |
| 1014 | F | A | 0.0000 | |
| 1015 | A | A | -1.1690 | |
| 1016 | T | A | -1.0219 | |
| 1017 | K | A | -1.5565 | |
| 1018 | E | A | -1.5568 | |
| 1019 | I | A | 0.1576 | |
| 1020 | T | A | -0.7375 | |
| 1021 | N | A | -1.6206 | |
| 1022 | G | A | -1.3989 | |
| 1023 | K | A | -1.6274 | |
| 1024 | P | A | -0.6391 | |
| 1025 | F | A | -0.0955 | |
| 1026 | F | A | -0.9040 | |
| 1027 | K | A | -1.6837 | |
| 1028 | D | A | -0.6970 | |
| 1029 | I | A | 0.0000 | |
| 1030 | N | A | -1.0075 | |
| 1031 | E | A | 0.0000 | |
| 1032 | C | A | -1.5388 | |
| 1033 | K | A | -1.9329 | |
| 1034 | M | A | -0.8621 | |
| 1035 | I | A | 0.0000 | |
| 1036 | P | A | -0.7343 | |
| 1037 | S | A | -0.5649 | |
| 1038 | L | A | 0.0000 | |
| 1039 | C | A | 0.0000 | |
| 1040 | T | A | -1.4192 | |
| 1041 | H | A | -2.3112 | |
| 1042 | G | A | -3.0342 | |
| 1043 | K | A | -3.5454 | |
| 1044 | C | A | -2.8023 | |
| 1045 | R | A | -3.1698 | |
| 1046 | N | A | -1.3397 | |
| 1047 | T | A | 0.1027 | |
| 1048 | I | A | 1.5804 | |
| 1049 | G | A | 0.2386 | |
| 1050 | S | A | -0.0549 | |
| 1051 | F | A | -0.9062 | |
| 1052 | K | A | -2.8956 | |
| 1053 | C | A | 0.0000 | |
| 1054 | R | A | -3.7500 | |
| 1055 | C | A | -2.7704 | |
| 1056 | D | A | -2.9172 | |
| 1057 | S | A | -1.6086 | |
| 1058 | G | A | -1.0618 | |
| 1059 | F | A | -1.1470 | |
| 1060 | A | A | -0.8369 | |
| 1061 | L | A | -1.5879 | |
| 1062 | D | A | -1.7042 | |
| 1063 | S | A | -1.8487 | |
| 1064 | E | A | -2.9338 | |
| 1065 | E | A | -3.3053 | |
| 1066 | R | A | -2.2115 | |
| 1067 | N | A | -1.9810 | |
| 1068 | C | A | 0.0000 | |
| 1069 | T | A | -0.6938 | |
| 1070 | D | A | -0.9984 | |
| 1071 | I | A | -0.0894 | |
| 1072 | D | A | -0.5485 | |
| 1073 | E | A | -0.4376 | |
| 1074 | C | A | -1.0080 | |
| 1075 | R | A | -1.1641 | |
| 1076 | I | A | 0.8101 | |
| 1077 | S | A | -0.2692 | |
| 1078 | P | A | -1.2786 | |
| 1079 | D | A | -2.3771 | |
| 1080 | L | A | -1.3488 | |
| 1081 | C | A | 0.0000 | |
| 1082 | G | A | -2.4947 | |
| 1083 | R | A | -3.7695 | |
| 1084 | G | A | -3.6009 | |
| 1085 | Q | A | -2.9780 | |
| 1086 | C | A | -2.0582 | |
| 1087 | V | A | -1.1087 | |
| 1088 | N | A | -1.2651 | |
| 1089 | T | A | -0.9337 | |
| 1090 | P | A | -0.8944 | |
| 1091 | G | A | -1.3135 | |
| 1092 | D | A | -1.4764 | |
| 1093 | F | A | -1.1321 | |
| 1094 | E | A | -2.2962 | |
| 1095 | C | A | -2.5724 | |
| 1096 | K | A | -3.4239 | |
| 1097 | C | A | -3.4306 | |
| 1098 | D | A | -3.9910 | |
| 1099 | E | A | -3.3089 | |
| 1100 | G | A | -2.3922 | |
| 1101 | Y | A | 0.0000 | |
| 1102 | E | A | -1.8704 | |
| 1103 | S | A | -1.2555 | |
| 1104 | G | A | 0.2100 | |
| 1105 | F | A | 1.0425 | |
| 1106 | M | A | 1.7801 | |
| 1107 | M | A | 1.6390 | |
| 1108 | M | A | 1.0017 | |
| 1109 | K | A | -0.7472 | |
| 1110 | N | A | -1.5623 | |
| 1111 | C | A | 0.0000 | |
| 1112 | M | A | -1.1941 | |
| 1113 | D | A | -2.0744 | |
| 1114 | I | A | 0.0000 | |
| 1115 | D | A | -2.8197 | |
| 1116 | E | A | -2.7640 | |
| 1117 | C | A | -1.9218 | |
| 1118 | Q | A | -2.8307 | |
| 1119 | R | A | -3.1743 | |
| 1120 | D | A | -2.0402 | |
| 1121 | P | A | -1.0469 | |
| 1122 | L | A | 0.1724 | |
| 1123 | L | A | -0.1899 | |
| 1124 | C | A | 0.0000 | |
| 1125 | R | A | -0.9813 | |
| 1126 | G | A | -0.8807 | |
| 1127 | G | A | -0.4705 | |
| 1128 | V | A | 0.3628 | |
| 1129 | C | A | -0.6822 | |
| 1130 | H | A | -1.4869 | |
| 1131 | N | A | -2.0624 | |
| 1132 | T | A | -2.0083 | |
| 1133 | E | A | -2.2555 | |
| 1134 | G | A | -2.4108 | |
| 1135 | S | A | -1.8536 | |
| 1136 | Y | A | -1.6431 | |
| 1137 | R | A | -2.1507 | |
| 1138 | C | A | -1.4347 | |
| 1139 | E | A | -1.9297 | |
| 1140 | C | A | -0.9217 | |
| 1141 | P | A | -0.4690 | |
| 1142 | P | A | -0.8299 | |
| 1143 | G | A | -0.5812 | |
| 1144 | H | A | -0.5010 | |
| 1145 | Q | A | -0.4893 | |
| 1146 | L | A | 0.2475 | |
| 1147 | S | A | 0.3209 | |
| 1148 | P | A | -0.1424 | |
| 1149 | N | A | -0.4321 | |
| 1150 | I | A | 1.1646 | |
| 1151 | S | A | 0.4545 | |
| 1152 | A | A | 0.1868 | |
| 1153 | C | A | 0.0880 | |
| 1154 | I | A | 0.9525 | |
| 1155 | D | A | 0.1517 | |
| 1156 | I | A | -0.1543 | |
| 1157 | N | A | -0.9042 | |
| 1158 | E | A | -0.8225 | |
| 1159 | C | A | -1.0363 | |
| 1160 | E | A | -1.3403 | |
| 1161 | L | A | 0.4104 | |
| 1162 | S | A | -0.1645 | |
| 1163 | A | A | -0.6364 | |
| 1164 | H | A | -1.1342 | |
| 1165 | L | A | -0.1671 | |
| 1166 | C | A | 0.0000 | |
| 1167 | P | A | -0.6436 | |
| 1168 | N | A | -1.6353 | |
| 1169 | G | A | -1.6005 | |
| 1170 | R | A | -2.3010 | |
| 1171 | C | A | -0.9924 | |
| 1172 | V | A | -0.7413 | |
| 1173 | N | A | -0.6974 | |
| 1174 | L | A | 0.4704 | |
| 1175 | I | A | 1.4800 | |
| 1176 | G | A | -0.1536 | |
| 1177 | K | A | -1.2374 | |
| 1178 | Y | A | -0.5486 | |
| 1179 | Q | A | -1.0577 | |
| 1180 | C | A | 0.0000 | |
| 1181 | A | A | -1.0574 | |
| 1182 | C | A | -1.2158 | |
| 1183 | N | A | -2.0073 | |
| 1184 | P | A | -1.0880 | |
| 1185 | G | A | -1.0251 | |
| 1186 | Y | A | -0.7609 | |
| 1187 | H | A | -0.6736 | |
| 1188 | S | A | -0.5365 | |
| 1189 | T | A | -0.4165 | |
| 1190 | P | A | -1.2995 | |
| 1191 | D | A | -2.1153 | |
| 1192 | R | A | -1.6176 | |
| 1193 | L | A | -0.1843 | |
| 1194 | F | A | 1.1341 | |
| 1195 | C | A | 0.0000 | |
| 1196 | V | A | 0.6266 | |
| 1197 | D | A | -0.9411 | |
| 1198 | I | A | -0.3911 | |
| 1199 | D | A | -1.1302 | |
| 1200 | E | A | -0.4184 | |
| 1201 | C | A | -0.0023 | |
| 1202 | S | A | 0.3761 | |
| 1203 | I | A | 1.7953 | |
| 1204 | M | A | 1.3347 | |
| 1205 | N | A | -0.0087 | |
| 1206 | G | A | -0.3304 | |
| 1207 | G | A | -0.5833 | |
| 1208 | C | A | 0.0000 | |
| 1209 | E | A | -2.0507 | |
| 1210 | T | A | -0.8008 | |
| 1211 | F | A | -0.0273 | |
| 1212 | C | A | -0.6025 | |
| 1213 | T | A | -0.7714 | |
| 1214 | N | A | -1.5378 | |
| 1215 | S | A | -1.7662 | |
| 1216 | E | A | -2.0986 | |
| 1217 | G | A | -1.5553 | |
| 1218 | S | A | -1.3318 | |
| 1219 | Y | A | -1.2781 | |
| 1220 | E | A | -2.0188 | |
| 1221 | C | A | 0.0000 | |
| 1222 | S | A | -0.8288 | |
| 1223 | C | A | -0.4498 | |
| 1224 | Q | A | -0.8675 | |
| 1225 | P | A | -0.8819 | |
| 1226 | G | A | -0.7919 | |
| 1227 | F | A | -0.0671 | |
| 1228 | A | A | 0.0554 | |
| 1229 | L | A | -0.5833 | |
| 1230 | M | A | -0.6716 | |
| 1231 | P | A | -1.4171 | |
| 1232 | D | A | -2.7333 | |
| 1233 | Q | A | -3.0923 | |
| 1234 | R | A | -3.2115 | |
| 1235 | S | A | -1.6829 | |
| 1236 | C | A | -0.7312 | |
| 1237 | T | A | 0.0880 | |
| 1238 | D | A | -0.6250 | |
| 1239 | I | A | -0.8502 | |
| 1240 | D | A | -2.3403 | |
| 1241 | E | A | -2.4185 | |
| 1242 | C | A | -2.6020 | |
| 1243 | E | A | -3.4331 | |
| 1244 | D | A | -3.4265 | |
| 1245 | N | A | -2.9533 | |
| 1246 | P | A | -2.5196 | |
| 1247 | N | A | -2.6856 | |
| 1248 | I | A | -1.7893 | |
| 1249 | C | A | 0.0000 | |
| 1250 | D | A | -2.1193 | |
| 1251 | G | A | -0.9913 | |
| 1252 | G | A | -0.5595 | |
| 1253 | Q | A | -1.1955 | |
| 1254 | C | A | -1.4506 | |
| 1255 | T | A | -1.0439 | |
| 1256 | N | A | -1.5497 | |
| 1257 | I | A | -0.8456 | |
| 1258 | P | A | -0.7740 | |
| 1259 | G | A | -1.1536 | |
| 1260 | E | A | -1.8723 | |
| 1261 | Y | A | -1.2013 | |
| 1262 | R | A | -1.2740 | |
| 1263 | C | A | 0.0000 | |
| 1264 | L | A | 0.6416 | |
| 1265 | C | A | 0.5591 | |
| 1266 | Y | A | 0.4269 | |
| 1267 | D | A | -0.8832 | |
| 1268 | G | A | -0.6196 | |
| 1269 | F | A | 0.2703 | |
| 1270 | M | A | 1.0256 | |
| 1271 | A | A | 0.2990 | |
| 1272 | S | A | -0.9274 | |
| 1273 | E | A | -2.5154 | |
| 1274 | D | A | -2.6613 | |
| 1275 | M | A | -1.0458 | |
| 1276 | K | A | -1.0786 | |
| 1277 | T | A | -0.7539 | |
| 1278 | C | A | 0.0000 | |
| 1279 | V | A | 0.6943 | |
| 1280 | D | A | -0.3434 | |
| 1281 | V | A | -0.2393 | |
| 1282 | N | A | -1.1142 | |
| 1283 | E | A | -1.0446 | |
| 1284 | C | A | -1.4852 | |
| 1285 | D | A | -1.9577 | |
| 1286 | L | A | -0.2505 | |
| 1287 | N | A | -1.4458 | |
| 1288 | P | A | -1.3137 | |
| 1289 | N | A | -1.1810 | |
| 1290 | I | A | -0.6039 | |
| 1291 | C | A | 0.0000 | |
| 1292 | L | A | 0.6885 | |
| 1293 | S | A | -0.1486 | |
| 1294 | G | A | -0.7645 | |
| 1295 | T | A | -0.8933 | |
| 1296 | C | A | -1.1690 | |
| 1297 | E | A | -1.7012 | |
| 1298 | N | A | -1.7650 | |
| 1299 | T | A | -1.4439 | |
| 1300 | K | A | -1.7641 | |
| 1301 | G | A | -1.1959 | |
| 1302 | S | A | -1.7042 | |
| 1303 | F | A | -1.4881 | |
| 1304 | I | A | -1.6822 | |
| 1305 | C | A | -1.7386 | |
| 1306 | H | A | -1.7767 | |
| 1307 | C | A | -1.0909 | |
| 1308 | D | A | -1.4117 | |
| 1309 | M | A | 0.0518 | |
| 1310 | G | A | 0.0036 | |
| 1311 | Y | A | -0.5098 | |
| 1312 | S | A | -0.9916 | |
| 1313 | G | A | -2.4796 | |
| 1314 | K | A | -3.4676 | |
| 1315 | K | A | -3.3231 | |
| 1316 | G | A | -2.4624 | |
| 1317 | K | A | -2.9813 | |
| 1318 | T | A | -1.4120 | |
| 1319 | G | A | -0.7011 | |
| 1320 | C | A | 0.0000 | |
| 1321 | T | A | -0.6287 | |
| 1322 | D | A | -0.7635 | |
| 1323 | I | A | 0.0520 | |
| 1324 | N | A | -0.5766 | |
| 1325 | E | A | 0.0000 | |
| 1326 | C | A | -0.5832 | |
| 1327 | E | A | -1.0870 | |
| 1328 | I | A | 0.8767 | |
| 1329 | G | A | -0.3239 | |
| 1330 | A | A | -0.2033 | |
| 1331 | H | A | -1.1175 | |
| 1332 | N | A | -1.8233 | |
| 1333 | C | A | -1.2689 | |
| 1334 | G | A | -1.6253 | |
| 1335 | K | A | -1.9325 | |
| 1336 | H | A | -0.9235 | |
| 1337 | A | A | -0.4216 | |
| 1338 | V | A | 1.2131 | |
| 1339 | C | A | -0.0375 | |
| 1340 | T | A | -0.5354 | |
| 1341 | N | A | -0.9844 | |
| 1342 | T | A | -0.6030 | |
| 1343 | A | A | -0.2077 | |
| 1344 | G | A | -0.2765 | |
| 1345 | S | A | -0.3434 | |
| 1346 | F | A | -0.7758 | |
| 1347 | K | A | -1.6115 | |
| 1348 | C | A | -0.9357 | |
| 1349 | S | A | -0.4164 | |
| 1350 | C | A | -0.1917 | |
| 1351 | S | A | 0.2012 | |
| 1352 | P | A | 0.0482 | |
| 1353 | G | A | 0.1204 | |
| 1354 | W | A | 0.0750 | |
| 1355 | I | A | 0.2896 | |
| 1356 | G | A | -1.1020 | |
| 1357 | D | A | -2.2139 | |
| 1358 | G | A | 0.0000 | |
| 1359 | I | A | -1.5517 | |
| 1360 | K | A | -2.3059 | |
| 1361 | C | A | -1.2139 | |
| 1362 | T | A | -0.3657 | |
| 1363 | D | A | 0.0528 | |
| 1364 | L | A | -0.0508 | |
| 1365 | D | A | -1.1124 | |
| 1366 | E | A | 0.0000 | |
| 1367 | C | A | -1.4022 | |
| 1368 | S | A | -1.2287 | |
| 1369 | N | A | -1.4862 | |
| 1370 | G | A | -1.0057 | |
| 1371 | T | A | -0.5548 | |
| 1372 | H | A | -0.4471 | |
| 1373 | M | A | 0.8788 | |
| 1374 | C | A | -0.0788 | |
| 1375 | S | A | -0.4854 | |
| 1376 | Q | A | -1.4031 | |
| 1377 | H | A | -1.6173 | |
| 1378 | A | A | -1.7609 | |
| 1379 | D | A | -2.3412 | |
| 1380 | C | A | -1.7182 | |
| 1381 | K | A | -2.3083 | |
| 1382 | N | A | -1.8614 | |
| 1383 | T | A | -0.6854 | |
| 1384 | M | A | 0.6595 | |
| 1385 | G | A | 0.1914 | |
| 1386 | S | A | -0.6650 | |
| 1387 | Y | A | -1.2224 | |
| 1388 | R | A | -2.2569 | |
| 1389 | C | A | 0.0000 | |
| 1390 | L | A | -0.8926 | |
| 1391 | C | A | -1.4205 | |
| 1392 | K | A | -2.6367 | |
| 1393 | E | A | -2.5913 | |
| 1394 | G | A | -1.6281 | |
| 1395 | Y | A | -1.2629 | |
| 1396 | T | A | -1.1431 | |
| 1397 | G | A | -1.1124 | |
| 1398 | D | A | -1.6049 | |
| 1399 | G | A | 0.0000 | |
| 1400 | F | A | 0.4415 | |
| 1401 | T | A | -0.0251 | |
| 1402 | C | A | -0.6597 | |
| 1403 | T | A | -0.9097 | |
| 1404 | D | A | -1.4227 | |
| 1405 | L | A | -1.1860 | |
| 1406 | D | A | -1.7506 | |
| 1407 | E | A | -1.5670 | |
| 1408 | C | A | -1.3647 | |
| 1409 | S | A | -1.3812 | |
| 1410 | E | A | -2.3530 | |
| 1411 | N | A | -1.6498 | |
| 1412 | L | A | -0.1737 | |
| 1413 | N | A | -1.3618 | |
| 1414 | L | A | -1.1584 | |
| 1415 | C | A | 0.0000 | |
| 1416 | G | A | -1.7683 | |
| 1417 | N | A | -2.4109 | |
| 1418 | G | A | -2.4203 | |
| 1419 | Q | A | -2.5563 | |
| 1420 | C | A | -1.8056 | |
| 1421 | L | A | -1.4018 | |
| 1422 | N | A | -1.4206 | |
| 1423 | A | A | -1.0260 | |
| 1424 | P | A | -0.7562 | |
| 1425 | G | A | -1.3620 | |
| 1426 | G | A | -1.3224 | |
| 1427 | Y | A | -1.3603 | |
| 1428 | R | A | -2.9547 | |
| 1429 | C | A | 0.0000 | |
| 1430 | E | A | -2.9056 | |
| 1431 | C | A | -2.2090 | |
| 1432 | D | A | -2.2116 | |
| 1433 | M | A | 0.2970 | |
| 1434 | G | A | 0.2263 | |
| 1435 | F | A | -0.5089 | |
| 1436 | V | A | 0.0823 | |
| 1437 | P | A | -1.6025 | |
| 1438 | S | A | -1.1642 | |
| 1439 | A | A | -1.1281 | |
| 1440 | D | A | -2.4540 | |
| 1441 | G | A | -2.1711 | |
| 1442 | K | A | -2.3592 | |
| 1443 | A | A | -2.0462 | |
| 1444 | C | A | -1.7557 | |
| 1445 | E | A | -2.0075 | |
| 1446 | D | A | -1.0417 | |
| 1447 | I | A | 0.1060 | |
| 1448 | D | A | -0.9915 | |
| 1449 | E | A | -0.2695 | |
| 1450 | C | A | -0.2920 | |
| 1451 | S | A | -0.0973 | |
| 1452 | L | A | 0.5027 | |
| 1453 | P | A | -0.1149 | |
| 1454 | N | A | -0.6649 | |
| 1455 | I | A | 0.5372 | |
| 1456 | C | A | 0.0000 | |
| 1457 | V | A | 1.2971 | |
| 1458 | F | A | 1.6295 | |
| 1459 | G | A | -0.1415 | |
| 1460 | T | A | -0.8450 | |
| 1461 | C | A | -0.8668 | |
| 1462 | H | A | -1.7758 | |
| 1463 | N | A | -0.9832 | |
| 1464 | L | A | -0.1575 | |
| 1465 | P | A | -0.2351 | |
| 1466 | G | A | 0.1005 | |
| 1467 | L | A | 0.9439 | |
| 1468 | F | A | -0.3331 | |
| 1469 | R | A | -2.2404 | |
| 1470 | C | A | 0.0000 | |
| 1471 | E | A | -2.2932 | |
| 1472 | C | A | -0.8805 | |
| 1473 | E | A | -0.8757 | |
| 1474 | I | A | 0.8137 | |
| 1475 | G | A | -0.1020 | |
| 1476 | Y | A | -0.6681 | |
| 1477 | E | A | -1.7413 | |
| 1478 | L | A | -0.9899 | |
| 1479 | D | A | -1.5408 | |
| 1480 | R | A | -2.2469 | |
| 1481 | S | A | -1.2809 | |
| 1482 | G | A | -1.5995 | |
| 1483 | G | A | -0.9750 | |
| 1484 | N | A | -0.7353 | |
| 1485 | C | A | -0.4835 | |
| 1486 | T | A | -0.7171 | |
| 1487 | D | A | -0.9357 | |
| 1488 | V | A | -0.4016 | |
| 1489 | N | A | -0.9883 | |
| 1490 | E | A | -0.9277 | |
| 1491 | C | A | 0.0192 | |
| 1492 | L | A | 0.4812 | |
| 1493 | D | A | -1.1766 | |
| 1494 | P | A | -0.2896 | |
| 1495 | T | A | 0.1529 | |
| 1496 | T | A | 0.0000 | |
| 1497 | C | A | 0.7019 | |
| 1498 | I | A | 1.8813 | |
| 1499 | S | A | 0.4783 | |
| 1500 | G | A | -0.0662 | |
| 1501 | N | A | -0.9520 | |
| 1502 | C | A | 0.2822 | |
| 1503 | V | A | 0.9322 | |
| 1504 | N | A | 0.2796 | |
| 1505 | T | A | -0.0643 | |
| 1506 | P | A | -0.6437 | |
| 1507 | G | A | -0.5139 | |
| 1508 | S | A | 0.0332 | |
| 1509 | Y | A | 0.5926 | |
| 1510 | I | A | 1.1902 | |
| 1511 | C | A | 0.0000 | |
| 1512 | D | A | -1.7394 | |
| 1513 | C | A | -1.0086 | |
| 1514 | P | A | -1.1821 | |
| 1515 | P | A | -1.2743 | |
| 1516 | D | A | -2.0999 | |
| 1517 | F | A | -1.2484 | |
| 1518 | E | A | -1.9821 | |
| 1519 | L | A | -0.4580 | |
| 1520 | N | A | -0.2158 | |
| 1521 | P | A | -0.6409 | |
| 1522 | T | A | -0.2902 | |
| 1523 | R | A | -0.3291 | |
| 1524 | V | A | 1.0180 | |
| 1525 | G | A | 0.0000 | |
| 1526 | C | A | 0.0000 | |
| 1527 | V | A | 0.8849 | |
| 1528 | D | A | 0.0000 | |
| 1529 | T | A | -0.7196 | |
| 1530 | R | A | -1.2130 | |
| 1531 | S | A | -0.4665 | |
| 1532 | G | A | -0.1461 | |
| 1533 | N | A | 0.1776 | |
| 1534 | C | A | 0.0000 | |
| 1535 | Y | A | -0.7920 | |
| 1536 | L | A | -0.8723 | |
| 1537 | D | A | -1.8788 | |
| 1538 | I | A | -1.5161 | |
| 1539 | R | A | -2.7231 | |
| 1540 | P | A | -2.9306 | |
| 1541 | R | A | -3.8095 | |
| 1542 | G | A | -3.2919 | |
| 1543 | D | A | -3.4566 | |
| 1544 | N | A | -3.3599 | |
| 1545 | G | A | -2.9517 | |
| 1546 | D | A | -3.4407 | |
| 1547 | T | A | -2.1801 | |
| 1548 | A | A | -1.6168 | |
| 1549 | C | A | -1.5522 | |
| 1550 | S | A | -1.4757 | |
| 1551 | N | A | -2.0865 | |
| 1552 | E | A | -1.5389 | |
| 1553 | I | A | 0.6674 | |
| 1554 | G | A | 0.7205 | |
| 1555 | V | A | 1.4569 | |
| 1556 | G | A | 0.2844 | |
| 1557 | V | A | 0.4072 | |
| 1558 | S | A | -0.0884 | |
| 1559 | K | A | -0.1826 | |
| 1560 | A | A | 0.4400 | |
| 1561 | S | A | 0.2708 | |
| 1562 | C | A | 0.0000 | |
| 1563 | C | A | 0.0000 | |
| 1564 | C | A | 0.8771 | |
| 1565 | S | A | 0.5883 | |
| 1566 | L | A | 1.4121 | |
| 1567 | G | A | -0.1353 | |
| 1568 | K | A | -1.2313 | |
| 1569 | A | A | 0.0000 | |
| 1570 | W | A | 0.0000 | |
| 1571 | G | A | 0.0000 | |
| 1572 | T | A | -0.3171 | |
| 1573 | P | A | -0.2801 | |
| 1574 | C | A | -0.0037 | |
| 1575 | E | A | -0.3156 | |
| 1576 | M | A | 0.0731 | |
| 1577 | C | A | 0.0552 | |
| 1578 | P | A | -0.3819 | |
| 1579 | A | A | 0.0045 | |
| 1580 | V | A | 0.8461 | |
| 1581 | N | A | -0.9327 | |
| 1582 | T | A | -0.9694 | |
| 1583 | S | A | -1.3873 | |
| 1584 | E | A | -1.7611 | |
| 1585 | Y | A | -0.6844 | |
| 1586 | K | A | -1.2958 | |
| 1587 | I | A | 0.0147 | |
| 1588 | L | A | 0.0000 | |
| 1589 | C | A | 0.8126 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2994 | 4.6978 | View | CSV | PDB |
| 4.5 | -0.4171 | 4.5442 | View | CSV | PDB |
| 5.0 | -0.5639 | 4.3227 | View | CSV | PDB |
| 5.5 | -0.718 | 4.0679 | View | CSV | PDB |
| 6.0 | -0.8564 | 3.8176 | View | CSV | PDB |
| 6.5 | -0.9609 | 3.6093 | View | CSV | PDB |
| 7.0 | -1.0267 | 3.4718 | View | CSV | PDB |
| 7.5 | -1.0622 | 3.3983 | View | CSV | PDB |
| 8.0 | -1.0779 | 3.3601 | View | CSV | PDB |
| 8.5 | -1.0774 | 3.3904 | View | CSV | PDB |
| 9.0 | -1.0608 | 3.4459 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine