Project name: 6e46ff206059329

Status: done

Started: 2024-12-26 07:46:50
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Chain sequence(s) P: GCGELVWVGEPLTLRTAETITGKYGVWMRDPKPTYPYTQETTWRIDTVGTDVRQVFEYDLISQFMQGYPSKVHILPRPLESTGAVVYSGSLYFQGAESRTVIRYELNTETVKAEKEIPGAGYHGQFPYSWGGYTDIDLAVDEAGLWVIYSTDEAKGAIVLSKLNPENLELEQTWETNIRKQSVANAFIICGTLYTVSSYTSADATVNFAYDTGTGISKTLTIPFKNRYKYSSMIDYNPLEKKLFAWDNLNMVTYDIKLS
input PDB
Selected Chain(s) P
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 P 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                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)
Show buried residues

Minimal score value
-3.4483
Maximal score value
1.7568
Average score
-0.6221
Total score value
-161.1365

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
244 G P -0.5192
245 C P 0.0125
246 G P -0.4081
247 E P -0.9503
248 L P 0.0000
249 V P 1.2128
250 W P 0.6281
251 V P 0.0000
252 G P -1.3743
253 E P -2.0470
254 P P -0.8589
255 L P 0.6764
256 T P 0.1891
257 L P -0.0227
258 R P -1.7909
259 T P 0.0000
260 A P -0.6037
261 E P -0.7297
262 T P 0.1599
263 I P 1.2862
264 T P 0.1837
265 G P -0.7350
266 K P -2.0489
267 Y P -0.9913
268 G P -0.5896
269 V P 0.0000
270 W P 0.0549
271 M P 0.0000
272 R P 0.0000
273 D P 0.0000
274 P P 0.0000
275 K P -1.1454
276 P P -0.6704
277 T P 0.1336
278 Y P 1.0774
279 P P 0.5157
280 Y P -0.3931
281 T P -1.0461
282 Q P -2.0512
283 E P -1.6730
284 T P 0.0000
285 T P 0.0000
286 W P 0.0000
287 R P 0.0000
288 I P 0.0000
289 D P -0.5868
290 T P -0.6984
291 V P 0.1533
292 G P -0.4886
293 T P -0.9010
294 D P -1.7420
295 V P 0.0000
296 R P -0.8565
297 Q P 0.0211
298 V P 0.0000
299 F P 0.0000
300 E P -0.8789
301 Y P 0.0000
302 D P -1.8552
303 L P -0.4535
304 I P -0.2903
305 S P -0.5536
306 Q P -0.4295
307 F P 0.0000
308 M P 0.0000
309 Q P -1.1203
310 G P 0.0000
311 Y P 0.5389
312 P P 0.0675
313 S P 0.0000
314 K P -1.1646
315 V P 0.5025
316 H P 0.2688
317 I P 1.0394
318 L P 0.0000
319 P P -0.7062
320 R P -1.3908
321 P P -1.2445
322 L P 0.0000
323 E P -2.5648
324 S P -1.3845
325 T P -0.6344
326 G P -0.2852
327 A P -0.0009
328 V P 0.0000
329 V P 0.0000
330 Y P 0.0000
331 S P -0.5019
332 G P -0.2710
333 S P 0.0000
334 L P 0.0000
335 Y P 0.0000
336 F P 0.0000
337 Q P 0.0000
338 G P -1.6960
339 A P -1.7594
340 E P -2.4710
341 S P -1.8917
342 R P -2.4105
343 T P -2.3349
344 V P 0.0000
345 I P 0.0000
346 R P -1.3901
347 Y P 0.0000
348 E P -1.3066
349 L P -1.2362
350 N P -1.9004
351 T P -1.6436
352 E P -2.1821
353 T P -1.1417
354 V P -0.6847
355 K P -2.0046
356 A P -2.1096
357 E P -2.8133
358 K P -3.1102
359 E P -3.1751
360 I P 0.0000
361 P P -1.0872
362 G P -1.1414
363 A P -1.4142
364 G P -1.3512
365 Y P -1.1022
366 H P -1.0876
367 G P -0.1092
368 Q P -0.3376
369 F P 1.5817
370 P P 1.2531
371 Y P 1.7568
372 S P 1.0537
373 W P 1.0960
374 G P -0.5944
375 G P -1.1777
376 Y P -1.0030
377 T P -1.3106
378 D P -1.2241
379 I P 0.0000
380 D P -0.7985
381 L P 0.0000
382 A P 0.0000
383 V P -0.2571
384 D P -0.6948
385 E P -1.4022
386 A P -0.6979
387 G P -0.8322
388 L P 0.0000
389 W P 0.0000
390 V P 0.0000
391 I P 0.0000
392 Y P 0.0000
393 S P 0.0000
394 T P -2.5056
395 D P -3.4483
396 E P -3.1733
397 A P -2.8995
398 K P -3.4356
399 G P 0.0000
400 A P 0.0000
401 I P 0.0000
402 V P 0.0000
403 L P 0.0000
404 S P 0.0000
405 K P -1.4553
406 L P 0.0000
407 N P -2.0893
408 P P -1.7643
409 E P -2.9540
410 N P -3.1148
411 L P 0.0000
412 E P -3.0117
413 L P -1.4198
414 E P -1.8540
415 Q P -1.8455
416 T P -1.1575
417 W P -0.9962
418 E P -1.8120
419 T P 0.0000
420 N P -1.9835
421 I P -1.4425
422 R P -2.4995
423 K P 0.0000
424 Q P -1.3287
425 S P -0.9559
426 V P -0.5855
427 A P -0.2054
428 N P -0.4029
429 A P -0.1690
430 F P 0.0000
431 I P 0.0000
432 I P 0.0000
433 C P 0.0160
434 G P -0.2472
435 T P 0.0000
436 L P 0.0000
437 Y P 0.0000
438 T P 0.0000
439 V P 0.0000
440 S P -0.2097
441 S P -0.5343
442 Y P -0.6930
443 T P -0.3791
444 S P -0.6050
445 A P -1.0715
446 D P -1.6819
447 A P 0.0000
448 T P -0.3136
449 V P 0.0000
450 N P 0.3431
451 F P 0.9412
452 A P 0.1144
453 Y P 0.0000
454 D P -0.4424
455 T P -0.5899
456 G P -0.4125
457 T P -0.0743
458 G P -0.3489
459 I P 0.3321
460 S P -0.1150
461 K P -1.0317
462 T P -0.1939
463 L P 0.5196
464 T P 0.3944
465 I P 0.0000
466 P P -0.7739
467 F P 0.0000
468 K P -2.7388
469 N P -2.1654
470 R P -2.3321
471 Y P -0.5865
472 K P -1.7623
473 Y P 0.0000
474 S P -0.6931
475 S P -0.1100
476 M P 0.0965
477 I P -0.0168
478 D P -0.3636
479 Y P 0.0000
480 N P 0.0000
481 P P 0.0000
482 L P -1.4851
483 E P -2.2948
484 K P -1.8081
485 K P -1.6159
486 L P 0.0000
487 F P 0.0000
488 A P 0.0000
489 W P -0.3760
490 D P -1.2790
491 N P -1.3073
492 L P -0.3853
493 N P -0.7110
494 M P -0.1165
495 V P 0.0000
496 T P 0.0000
497 Y P 0.0000
498 D P -1.9313
499 I P 0.0000
500 K P -0.7777
501 L P 0.1971
502 S P 0.0670
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Laboratory of Theory of Biopolymers 2018