Project name: f12112588a32538

Status: done

Started: 2026-06-10 10:43:10
Settings
Chain sequence(s) A: PVDDAEVDELVLQTKRSSRRQSLELQKCEEILHKIVKYRFSWPFREPVTRDEAEDYYDVITHPMDFQTVQNKCSCGSYRSVQEFLTDMKQVFTNAEVYNCRGSHVLSCMVKTEQCLVALLHKHLPGHPYVRRKRKKFPDRLAED
input PDB
Selected Chain(s) A
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 A 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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)
Show buried residues

Minimal score value
-4.2808
Maximal score value
0.9906
Average score
-1.1836
Total score value
-170.436

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
1317 P A 0.0162
1318 V A 0.2063
1319 D A -1.9916
1320 D A -2.6294
1321 A A -2.1653
1322 E A -2.3129
1323 V A -0.5127
1324 D A -1.6885
1325 E A -1.6045
1326 L A 0.2241
1327 V A 0.2207
1328 L A -0.0900
1329 Q A -1.3636
1330 T A -1.4137
1331 K A -2.6214
1332 R A -3.5490
1333 S A -3.1070
1334 S A -3.0005
1335 R A -3.8235
1336 R A -3.6141
1337 Q A -2.8681
1338 S A -1.8738
1339 L A -0.5437
1340 E A -1.1428
1341 L A -1.4290
1342 Q A -1.7309
1343 K A -1.5064
1344 C A 0.0000
1345 E A -1.9621
1346 E A -2.4308
1347 I A 0.0000
1348 L A 0.0000
1349 H A -1.7844
1350 K A -1.7243
1351 I A 0.0000
1352 V A -1.1293
1353 K A -1.9318
1354 Y A -1.1129
1355 R A -1.5960
1356 F A -0.2724
1357 S A 0.0000
1358 W A 0.0687
1359 P A -0.0179
1360 F A 0.0000
1361 R A -1.3787
1362 E A -2.1195
1363 P A -1.3447
1364 V A -1.4535
1365 T A -2.6322
1366 R A -4.1643
1367 D A -4.1219
1368 E A -3.7617
1369 A A -3.1484
1370 E A -4.2808
1371 D A -3.2160
1372 Y A -1.7776
1373 Y A -1.2591
1374 D A -1.7850
1375 V A 0.0516
1376 I A 0.0000
1377 T A -0.5725
1378 H A -0.9456
1379 P A -0.3948
1380 M A -0.7470
1381 D A 0.0000
1382 F A 0.0000
1383 Q A -2.0496
1384 T A -1.5163
1385 V A 0.0000
1386 Q A -1.5092
1387 N A -1.8307
1388 K A -1.2926
1389 C A -1.3668
1390 S A -0.7509
1391 C A -0.0805
1392 G A -1.1607
1393 S A -1.0769
1394 Y A 0.0000
1395 R A -2.4162
1396 S A -1.7333
1397 V A 0.0000
1398 Q A -1.6762
1399 E A -1.5153
1400 F A 0.0000
1401 L A 0.0000
1402 T A -0.7224
1403 D A -0.8860
1404 M A 0.0000
1405 K A -0.7962
1406 Q A -0.8794
1407 V A 0.0000
1408 F A 0.0000
1409 T A -0.8181
1410 N A 0.0000
1411 A A 0.0000
1412 E A 0.0000
1413 V A 0.8855
1414 Y A 0.6033
1415 N A -0.0062
1416 C A -0.2385
1417 R A -1.7516
1418 G A -1.4278
1419 S A -1.0600
1420 H A -1.1571
1421 V A -0.0341
1422 L A -0.1267
1423 S A -0.3280
1424 C A 0.0000
1425 M A 0.0000
1426 V A 0.9906
1427 K A -0.6424
1428 T A 0.0000
1429 E A -0.4059
1430 Q A -0.9814
1431 C A -0.3714
1432 L A 0.0000
1433 V A -0.3152
1434 A A -0.8562
1435 L A -1.2031
1436 L A 0.0000
1437 H A -1.9525
1438 K A -2.2401
1439 H A -1.7758
1440 L A 0.0000
1441 P A -1.3989
1442 G A -0.9312
1443 H A -0.7903
1444 P A -0.2936
1445 Y A 0.0000
1446 V A 0.8817
1447 R A -1.1832
1448 R A -3.1324
1449 K A -3.9607
1450 R A -4.0361
1451 K A -3.6243
1452 K A -2.4959
1453 F A -0.3078
1454 P A -1.0430
1455 D A -2.1760
1456 R A -1.8820
1457 L A -0.3733
1458 A A -1.2580
1459 E A -2.4635
1460 D A -2.6356
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018