| Chain sequence(s) |
A: ISEPPLHDFYCSRLLDLVFLLDGSSRLSEAEFEVLKAFVVDMMERLRISQKWVRVAVVEYHDGSHAYIGLKDRKRPSELRRIASQVKYAGSQVASTSEVLKYTLFQIFSKIDRPEASRIALLLMASQEPQQRMSRNFVRYVQGLKKKKVIVIPVGIGPHANLKQIRLIEKQAPENKAFVLSSVDELEQQRDEIVSYLCDLAPEAPP
B: EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:07)
[INFO] Main: Simulation completed successfully. (00:05:09)
|
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 | |
| 1262 | I | A | 1.4790 | |
| 1263 | S | A | 0.2617 | |
| 1264 | E | A | -0.2704 | |
| 1265 | P | A | -0.2105 | |
| 1266 | P | A | 0.0000 | |
| 1267 | L | A | 0.5458 | |
| 1268 | H | A | -0.3778 | |
| 1269 | D | A | -0.9046 | |
| 1270 | F | A | -0.6353 | |
| 1271 | Y | A | 0.0000 | |
| 1272 | C | A | 0.0000 | |
| 1273 | S | A | -0.5777 | |
| 1274 | R | A | 0.0000 | |
| 1275 | L | A | 0.0000 | |
| 1276 | L | A | 0.0000 | |
| 1277 | D | A | 0.0000 | |
| 1278 | L | A | 0.0000 | |
| 1279 | V | A | 0.0000 | |
| 1280 | F | A | 0.0000 | |
| 1281 | L | A | 0.0000 | |
| 1282 | L | A | 0.0000 | |
| 1283 | D | A | 0.0000 | |
| 1284 | G | A | 0.0000 | |
| 1285 | S | A | 0.0000 | |
| 1286 | S | A | -1.6964 | |
| 1287 | R | A | -2.5477 | |
| 1288 | L | A | 0.0000 | |
| 1289 | S | A | -1.7636 | |
| 1290 | E | A | -2.7469 | |
| 1291 | A | A | -1.5781 | |
| 1292 | E | A | -2.0245 | |
| 1293 | F | A | 0.0000 | |
| 1294 | E | A | -2.4628 | |
| 1295 | V | A | -1.1990 | |
| 1296 | L | A | 0.0000 | |
| 1297 | K | A | 0.0000 | |
| 1298 | A | A | -0.5598 | |
| 1299 | F | A | 0.0000 | |
| 1300 | V | A | 0.0000 | |
| 1301 | V | A | -0.1890 | |
| 1302 | D | A | -0.8141 | |
| 1303 | M | A | 0.0000 | |
| 1304 | M | A | 0.0000 | |
| 1305 | E | A | -0.2175 | |
| 1306 | R | A | 0.0000 | |
| 1307 | L | A | 0.0000 | |
| 1308 | R | A | -0.4508 | |
| 1309 | I | A | -0.7036 | |
| 1310 | S | A | -1.5901 | |
| 1311 | Q | A | -1.6201 | |
| 1312 | K | A | -1.4692 | |
| 1313 | W | A | 0.0000 | |
| 1314 | V | A | 0.0000 | |
| 1315 | R | A | 0.0000 | |
| 1316 | V | A | 0.0000 | |
| 1317 | A | A | 0.0000 | |
| 1318 | V | A | 0.0000 | |
| 1319 | V | A | 0.0000 | |
| 1320 | E | A | 0.0000 | |
| 1321 | Y | A | 0.0000 | |
| 1322 | H | A | -1.6572 | |
| 1323 | D | A | -2.4269 | |
| 1324 | G | A | -1.4782 | |
| 1325 | S | A | -1.0842 | |
| 1326 | H | A | -0.9739 | |
| 1327 | A | A | -0.2566 | |
| 1328 | Y | A | -0.0496 | |
| 1329 | I | A | 0.0000 | |
| 1330 | G | A | -1.1474 | |
| 1331 | L | A | 0.0000 | |
| 1332 | K | A | -2.9839 | |
| 1333 | D | A | -3.0116 | |
| 1334 | R | A | -3.7516 | |
| 1335 | K | A | -3.6108 | |
| 1336 | R | A | -3.3335 | |
| 1337 | P | A | -1.9560 | |
| 1338 | S | A | -1.4854 | |
| 1339 | E | A | -1.8700 | |
| 1340 | L | A | 0.0000 | |
| 1341 | R | A | 0.0000 | |
| 1342 | R | A | -2.0047 | |
| 1343 | I | A | -0.9082 | |
| 1344 | A | A | 0.0000 | |
| 1345 | S | A | -1.6204 | |
| 1346 | Q | A | -2.1427 | |
| 1347 | V | A | 0.0000 | |
| 1348 | K | A | -2.4100 | |
| 1349 | Y | A | -1.5743 | |
| 1350 | A | A | -0.8331 | |
| 1351 | G | A | -1.2854 | |
| 1352 | S | A | -1.2676 | |
| 1353 | Q | A | -1.8286 | |
| 1354 | V | A | 0.0000 | |
| 1355 | A | A | 0.0000 | |
| 1356 | S | A | 0.0000 | |
| 1357 | T | A | 0.0000 | |
| 1358 | S | A | 0.0000 | |
| 1359 | E | A | -1.7811 | |
| 1360 | V | A | 0.0000 | |
| 1361 | L | A | 0.0000 | |
| 1362 | K | A | -1.1755 | |
| 1363 | Y | A | -0.4723 | |
| 1364 | T | A | 0.0000 | |
| 1365 | L | A | 0.0000 | |
| 1366 | F | A | 0.4036 | |
| 1367 | Q | A | -0.7451 | |
| 1368 | I | A | -0.4248 | |
| 1369 | F | A | 0.0000 | |
| 1370 | S | A | -0.8499 | |
| 1371 | K | A | -1.9538 | |
| 1372 | I | A | -1.5076 | |
| 1373 | D | A | -2.3142 | |
| 1374 | R | A | 0.0000 | |
| 1375 | P | A | -1.4039 | |
| 1376 | E | A | -1.4965 | |
| 1377 | A | A | 0.0000 | |
| 1378 | S | A | -0.4729 | |
| 1379 | R | A | 0.0000 | |
| 1380 | I | A | 0.0000 | |
| 1381 | A | A | 0.0000 | |
| 1382 | L | A | 0.0000 | |
| 1383 | L | A | 0.0000 | |
| 1384 | L | A | 0.0000 | |
| 1385 | M | A | 0.0000 | |
| 1386 | A | A | 0.0000 | |
| 1387 | S | A | 0.0000 | |
| 1388 | Q | A | -1.9677 | |
| 1389 | E | A | 0.0000 | |
| 1390 | P | A | -1.6237 | |
| 1391 | Q | A | -2.5765 | |
| 1392 | R | A | -2.8468 | |
| 1393 | M | A | -2.0788 | |
| 1394 | S | A | -2.2357 | |
| 1395 | R | A | -2.7950 | |
| 1396 | N | A | -2.0921 | |
| 1397 | F | A | 0.0000 | |
| 1398 | V | A | -0.8327 | |
| 1399 | R | A | -2.4064 | |
| 1400 | Y | A | 0.0000 | |
| 1401 | V | A | 0.0000 | |
| 1402 | Q | A | -2.3925 | |
| 1403 | G | A | -2.0342 | |
| 1404 | L | A | 0.0000 | |
| 1405 | K | A | -3.1411 | |
| 1406 | K | A | -3.1135 | |
| 1407 | K | A | -2.6326 | |
| 1408 | K | A | -2.7846 | |
| 1409 | V | A | 0.0000 | |
| 1410 | I | A | -1.1266 | |
| 1411 | V | A | 0.0000 | |
| 1412 | I | A | 0.0000 | |
| 1413 | P | A | 0.0000 | |
| 1414 | V | A | 0.0000 | |
| 1415 | G | A | 0.0000 | |
| 1416 | I | A | 0.0000 | |
| 1417 | G | A | -0.8264 | |
| 1418 | P | A | -0.7338 | |
| 1419 | H | A | -1.6048 | |
| 1420 | A | A | 0.0000 | |
| 1421 | N | A | -1.2862 | |
| 1422 | L | A | -0.6513 | |
| 1423 | K | A | -1.9058 | |
| 1424 | Q | A | 0.0000 | |
| 1425 | I | A | 0.0000 | |
| 1426 | R | A | -2.1510 | |
| 1427 | L | A | -1.3127 | |
| 1428 | I | A | 0.0000 | |
| 1429 | E | A | -2.0954 | |
| 1430 | K | A | -2.4662 | |
| 1431 | Q | A | -1.8070 | |
| 1432 | A | A | 0.0000 | |
| 1433 | P | A | -1.5631 | |
| 1434 | E | A | -1.8760 | |
| 1435 | N | A | 0.0000 | |
| 1436 | K | A | -1.6792 | |
| 1437 | A | A | 0.0000 | |
| 1438 | F | A | 0.0000 | |
| 1439 | V | A | 1.4302 | |
| 1440 | L | A | 0.0000 | |
| 1441 | S | A | -0.4827 | |
| 1442 | S | A | -0.8492 | |
| 1443 | V | A | 0.0000 | |
| 1444 | D | A | -2.7536 | |
| 1445 | E | A | -2.2856 | |
| 1446 | L | A | 0.0000 | |
| 1447 | E | A | -3.5838 | |
| 1448 | Q | A | -3.3306 | |
| 1449 | Q | A | -2.8897 | |
| 1450 | R | A | -2.8588 | |
| 1451 | D | A | -3.3474 | |
| 1452 | E | A | -3.1240 | |
| 1453 | I | A | 0.0000 | |
| 1454 | V | A | 0.0000 | |
| 1455 | S | A | -1.4948 | |
| 1456 | Y | A | -1.1079 | |
| 1457 | L | A | 0.0000 | |
| 1458 | C | A | 0.0000 | |
| 1459 | D | A | -1.9834 | |
| 1460 | L | A | -0.6240 | |
| 1461 | A | A | 0.0000 | |
| 1462 | P | A | -1.4346 | |
| 1463 | E | A | -2.2640 | |
| 1464 | A | A | -1.8262 | |
| 1465 | P | A | -1.0970 | |
| 1466 | P | A | -0.7971 | |
| 2 | E | B | -2.5693 | |
| 3 | V | B | -1.6974 | |
| 4 | Q | B | -1.6918 | |
| 5 | L | B | 0.0000 | |
| 6 | V | B | 0.3358 | |
| 7 | E | B | 0.0000 | |
| 8 | S | B | -0.7700 | |
| 9 | G | B | -1.2261 | |
| 10 | G | B | -0.8851 | |
| 11 | G | B | 0.0355 | |
| 12 | L | B | 1.0024 | |
| 13 | V | B | -0.0250 | |
| 14 | Q | B | -1.2757 | |
| 15 | P | B | -1.3160 | |
| 16 | G | B | -1.5072 | |
| 17 | G | B | -1.1110 | |
| 18 | S | B | -1.5114 | |
| 19 | L | B | -1.2593 | |
| 20 | R | B | -2.4641 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.5849 | |
| 23 | C | B | 0.0000 | |
| 24 | A | B | -0.2890 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.2723 | |
| 27 | G | B | -2.1803 | |
| 28 | R | B | -2.7379 | |
| 29 | T | B | -2.0174 | |
| 30 | F | B | 0.0000 | |
| 31 | S | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | N | B | 0.0000 | |
| 34 | P | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -2.3780 | |
| 41 | A | B | -2.0926 | |
| 42 | P | B | -1.4026 | |
| 43 | G | B | -1.6072 | |
| 44 | K | B | -2.9756 | |
| 45 | G | B | -2.7384 | |
| 46 | R | B | -3.1145 | |
| 47 | E | B | -2.3305 | |
| 48 | L | B | -0.5730 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | R | B | 0.0000 | |
| 55 | T | B | -0.6478 | |
| 56 | G | B | -0.9444 | |
| 57 | G | B | -0.9740 | |
| 58 | S | B | -0.6688 | |
| 59 | T | B | -0.1269 | |
| 60 | Y | B | 0.2164 | |
| 61 | Y | B | -0.6509 | |
| 62 | P | B | -1.2877 | |
| 63 | D | B | -2.4897 | |
| 64 | S | B | -1.6402 | |
| 65 | V | B | 0.0000 | |
| 66 | E | B | -2.6959 | |
| 67 | G | B | -1.9889 | |
| 68 | R | B | -1.9449 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -1.1280 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.5102 | |
| 73 | R | B | -0.8800 | |
| 74 | D | B | -1.2927 | |
| 75 | N | B | -1.0638 | |
| 76 | A | B | -0.9079 | |
| 77 | K | B | -1.8647 | |
| 78 | R | B | -1.3637 | |
| 79 | M | B | -0.8322 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.7061 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -2.0170 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -2.3110 | |
| 86 | S | B | -1.5797 | |
| 87 | L | B | 0.0000 | |
| 88 | R | B | -2.1820 | |
| 89 | A | B | -1.5914 | |
| 90 | E | B | -2.1688 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.9242 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.8586 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.3637 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | G | B | -0.3386 | |
| 102 | V | B | 0.0056 | |
| 103 | R | B | -1.6723 | |
| 104 | A | B | -1.1210 | |
| 105 | E | B | 0.0000 | |
| 106 | D | B | -1.2264 | |
| 107 | G | B | 0.0000 | |
| 108 | R | B | -2.0071 | |
| 109 | V | B | -0.5204 | |
| 110 | R | B | 0.0000 | |
| 111 | T | B | 0.5567 | |
| 112 | L | B | 1.2856 | |
| 113 | P | B | -0.0894 | |
| 114 | S | B | 0.0993 | |
| 115 | E | B | -0.0007 | |
| 116 | Y | B | 0.0000 | |
| 117 | T | B | 0.1970 | |
| 118 | F | B | -0.1104 | |
| 119 | W | B | 0.1755 | |
| 120 | G | B | -0.2933 | |
| 121 | Q | B | -1.0312 | |
| 122 | G | B | -0.6735 | |
| 123 | T | B | -0.8458 | |
| 124 | Q | B | -1.1371 | |
| 125 | V | B | 0.0000 | |
| 126 | T | B | -0.3018 | |
| 127 | V | B | 0.0000 | |
| 128 | S | B | -0.3473 | |
| 129 | S | B | -0.3480 |
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