Project name: 1bd9bb9646f45fd

Status: done

Started: 2024-12-26 07:49:59
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Chain sequence(s) P: GCGELVWVGEPLTLRTAETITGKYGVWMRDPKPTYPYTQETTWRIDTVGTDVRQVFEYDLISQFMQGYPSKVHILPRPLESTGAVVYSGSLYFQGAESRTVIRYELNTETVKAEKEIPGAGYHGQFPYSWGGYTDIDLAVDEAGLWVIYSTDEAKGAIVLSKLNPENLELEQTWETNIRKQSVANAFIICGTLYTVSSYTSADATVNFAYDTGTGISKTLTIPFKNRYKYSSMIDYNPLEKKLFAWDNLNMVTYDFKLS
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)
Show buried residues

Minimal score value
-3.2473
Maximal score value
1.522
Average score
-0.5757
Total score value
-149.1129

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 -0.4575
245 C P 0.1886
246 G P -0.2725
247 E P -0.4638
248 L P 0.0000
249 V P 0.8203
250 W P 0.2124
251 V P 0.0000
252 G P 0.0000
253 E P -2.1219
254 P P -0.9300
255 L P 0.7114
256 T P 0.3796
257 L P 0.7186
258 R P -0.4587
259 T P -0.6498
260 A P -0.6164
261 E P -1.3400
262 T P -0.0067
263 I P 1.5220
264 T P 0.5134
265 G P 0.2761
266 K P 0.1179
267 Y P 0.4698
268 G P 0.0000
269 V P -0.2747
270 W P 0.0000
271 M P 0.0000
272 R P -0.9379
273 D P -1.2603
274 P P 0.0000
275 K P -1.7933
276 P P -0.9112
277 T P -0.1591
278 Y P 0.8490
279 P P 0.4096
280 Y P -0.3827
281 T P -0.8997
282 Q P -2.1686
283 E P -1.9997
284 T P 0.0000
285 T P 0.0000
286 W P 0.0000
287 R P -0.7590
288 I P 0.0000
289 D P -1.4538
290 T P 0.0000
291 V P 1.3133
292 G P 0.0000
293 T P -0.4654
294 D P -1.9826
295 V P -1.4206
296 R P -1.7033
297 Q P -0.8879
298 V P 0.0000
299 F P 0.1908
300 E P 0.0000
301 Y P 0.0000
302 D P -1.0298
303 L P 0.3131
304 I P 0.3264
305 S P 0.0461
306 Q P -0.1250
307 F P 0.0000
308 M P -0.2418
309 Q P -1.0325
310 G P -0.1514
311 Y P 0.6753
312 P P 0.0309
313 S P -0.3520
314 K P -0.6312
315 V P 0.6403
316 H P 0.0000
317 I P 0.6522
318 L P 0.0000
319 P P -0.7168
320 R P -1.5766
321 P P -1.5654
322 L P 0.0000
323 E P -1.1408
324 S P 0.0000
325 T P 0.0000
326 G P -0.0868
327 A P 0.0000
328 V P 0.0000
329 V P 0.0000
330 Y P 0.0000
331 S P -0.6194
332 G P -0.3508
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 0.0000
339 A P -1.5278
340 E P -2.2465
341 S P -1.5838
342 R P -1.7741
343 T P -1.9505
344 V P 0.0000
345 I P 0.0000
346 R P -1.6620
347 Y P 0.0000
348 E P -1.3884
349 L P 0.0000
350 N P -1.7257
351 T P -1.1596
352 E P -1.3950
353 T P -0.9456
354 V P -0.6427
355 K P -2.2427
356 A P -2.3650
357 E P -2.9998
358 K P -2.7804
359 E P -2.8765
360 I P 0.0000
361 P P -1.2398
362 G P -1.4485
363 A P 0.0000
364 G P -1.5011
365 Y P -1.1223
366 H P -1.6943
367 G P -1.0568
368 Q P -1.1650
369 F P -0.3948
370 P P 0.1528
371 Y P 0.0742
372 S P 0.0195
373 W P 1.0498
374 G P 0.4497
375 G P 0.5843
376 Y P 0.9217
377 T P 0.0000
378 D P 0.0000
379 I P 0.0000
380 D P -0.2545
381 L P -0.0580
382 A P -0.1724
383 V P 0.0000
384 D P -1.3776
385 E P -2.0807
386 A P -1.0796
387 G P 0.0000
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 -1.4742
394 T P -1.9134
395 D P -3.1586
396 E P -3.2473
397 A P -2.4771
398 K P -2.9596
399 G P 0.0000
400 A P -2.1692
401 I P 0.0000
402 V P 0.0000
403 L P 0.0000
404 S P 0.0000
405 K P -1.3329
406 L P 0.0000
407 N P -2.0276
408 P P -1.8131
409 E P -2.9492
410 N P -3.0482
411 L P 0.0000
412 E P -2.8618
413 L P -1.9087
414 E P -2.7048
415 Q P -2.2034
416 T P -1.2961
417 W P -0.7734
418 E P -1.6749
419 T P 0.0000
420 N P -1.2826
421 I P 0.0000
422 R P -2.2824
423 K P 0.0000
424 Q P -0.8648
425 S P -0.8549
426 V P 0.0000
427 A P 0.0000
428 N P 0.0000
429 A P -0.0586
430 F P 0.0000
431 I P 0.0000
432 I P 0.0000
433 C P 0.0464
434 G P 0.0000
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 -0.2002
441 S P -0.3464
442 Y P -0.5285
443 T P -0.5218
444 S P -0.8775
445 A P -1.3834
446 D P -2.4361
447 A P 0.0000
448 T P -0.7037
449 V P 0.0000
450 N P -0.3878
451 F P 0.5250
452 A P 0.0000
453 Y P 0.0000
454 D P -0.0247
455 T P 0.0000
456 G P -0.3459
457 T P -0.0107
458 G P 0.1208
459 I P 1.2145
460 S P 0.4542
461 K P 0.0846
462 T P -0.1039
463 L P 0.0331
464 T P 0.0575
465 I P 0.2273
466 P P -0.6182
467 F P 0.0000
468 K P -1.8978
469 N P 0.0000
470 R P -2.5104
471 Y P -0.9187
472 K P -1.9504
473 Y P -0.6419
474 S P 0.0000
475 S P -0.0090
476 M P 0.1277
477 I P 0.0000
478 D P -0.6126
479 Y P -0.9523
480 N P 0.0000
481 P P -1.9065
482 L P -1.7925
483 E P -2.9961
484 K P -3.1069
485 K P -2.9395
486 L P 0.0000
487 F P -0.4168
488 A P 0.0000
489 W P 0.0000
490 D P 0.0000
491 N P -0.1071
492 L P 0.1581
493 N P 0.0000
494 M P 0.0000
495 V P 0.0000
496 T P -0.2105
497 Y P 0.0000
498 D P -2.5196
499 F P -1.5098
500 K P -1.2165
501 L P -0.1568
502 S P -0.2850
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Laboratory of Theory of Biopolymers 2018