Project name: db62fddbba1b6f1

Status: done

Started: 2024-12-26 07:52:16
Settings
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                                          (00:02:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)
Show buried residues

Minimal score value
-3.0848
Maximal score value
1.8753
Average score
-0.4759
Total score value
-123.2624

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 -0.3784
245 C P 0.1597
246 G P -0.8020
247 E P -1.6033
248 L P 0.0000
249 V P 0.1966
250 W P 0.4557
251 V P -0.6958
252 G P -1.6747
253 E P -2.2522
254 P P -0.7075
255 L P 0.9035
256 T P 0.7856
257 L P 0.6703
258 R P -0.2534
259 T P -0.8643
260 A P -0.8359
261 E P -1.2416
262 T P -0.0042
263 I P 1.3365
264 T P 0.3942
265 G P -0.0312
266 K P 0.4052
267 Y P 0.9148
268 G P 0.2687
269 V P 0.0530
270 W P 0.0000
271 M P 0.0000
272 R P -0.5941
273 D P -0.7291
274 P P -0.6314
275 K P 0.0000
276 P P -0.3356
277 T P 0.2506
278 Y P 1.3718
279 P P 1.1111
280 Y P 1.4672
281 T P 0.3009
282 Q P -0.4353
283 E P -0.3605
284 T P 0.0000
285 T P 0.3076
286 W P 0.0000
287 R P 0.0844
288 I P 0.0000
289 D P 0.0000
290 T P 0.2270
291 V P 0.9979
292 G P -0.2774
293 T P -0.7817
294 D P -1.6764
295 V P -0.3996
296 R P -0.2610
297 Q P 0.5284
298 V P 0.0000
299 F P 0.8350
300 E P 0.0000
301 Y P 1.3307
302 D P 0.0000
303 L P 1.2769
304 I P 1.0327
305 S P 0.3915
306 Q P -0.2724
307 F P 1.0692
308 M P 0.7797
309 Q P -0.6257
310 G P -0.3583
311 Y P 0.1660
312 P P -0.2589
313 S P 0.0676
314 K P -0.1525
315 V P 1.1633
316 H P 1.0567
317 I P 1.8753
318 L P 0.0000
319 P P -0.0703
320 R P -0.9823
321 P P -0.8725
322 L P -0.3389
323 E P -0.7504
324 S P -0.1742
325 T P -0.1213
326 G P -0.1856
327 A P 0.0269
328 V P 0.0000
329 V P 0.2758
330 Y P 0.0054
331 S P -0.4721
332 G P -0.5825
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 -1.2398
340 E P -2.0464
341 S P -1.6177
342 R P -1.6477
343 T P -1.7727
344 V P 0.0000
345 I P 0.0000
346 R P -0.8547
347 Y P 0.0000
348 E P -1.0611
349 L P 0.0000
350 N P -1.4542
351 T P -0.9023
352 E P -1.0889
353 T P -0.5901
354 V P -0.2831
355 K P -1.2109
356 A P -1.0742
357 E P -1.9496
358 K P -2.5621
359 E P -2.6072
360 I P 0.0000
361 P P -0.7351
362 G P 0.0000
363 A P -1.0607
364 G P -0.6163
365 Y P 0.3979
366 H P -0.5496
367 G P -0.7317
368 Q P -0.6414
369 F P 0.0000
370 P P 0.4078
371 Y P 1.1128
372 S P 0.0000
373 W P 0.5221
374 G P -0.5560
375 G P -1.0894
376 Y P -0.7972
377 T P 0.0000
378 D P -0.9381
379 I P 0.0000
380 D P 0.0000
381 L P 0.0000
382 A P 0.0000
383 V P 0.0000
384 D P -1.0996
385 E P -1.8183
386 A P -1.0006
387 G P -1.0929
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 -0.8215
394 T P 0.0000
395 D P -2.6950
396 E P -2.5635
397 A P -1.5728
398 K P -2.3060
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 -1.3072
406 L P 0.0000
407 N P -2.0555
408 P P -1.6902
409 E P -2.8369
410 N P -2.7748
411 L P -2.5151
412 E P -2.8229
413 L P -1.9082
414 E P -2.5570
415 Q P -1.8889
416 T P -0.9962
417 W P -0.9669
418 E P -1.7173
419 T P -1.5307
420 N P -1.9440
421 I P -1.5588
422 R P -2.0091
423 K P -2.6380
424 Q P -1.9862
425 S P -0.6681
426 V P -0.3976
427 A P -0.6092
428 N P 0.0000
429 A P 0.0000
430 F P 0.0000
431 I P 0.0000
432 I P 0.0000
433 C P -0.2083
434 G P -0.1104
435 T P -0.2398
436 L P 0.0000
437 Y P 0.0000
438 T P 0.0000
439 V P 0.0000
440 S P -0.4228
441 S P -0.5305
442 Y P 0.6609
443 T P -0.0186
444 S P -0.5711
445 A P -1.3002
446 D P -2.4785
447 A P 0.0000
448 T P -0.6522
449 V P 0.0000
450 N P 0.0000
451 F P 0.3182
452 A P 0.0000
453 Y P 0.2387
454 D P -0.0551
455 T P -0.4025
456 G P -0.4760
457 T P -0.1838
458 G P -0.3012
459 I P 0.8285
460 S P 0.2298
461 K P -0.2440
462 T P -0.0252
463 L P 0.2179
464 T P 0.2486
465 I P 0.0000
466 P P -0.9465
467 F P 0.0000
468 K P -2.6616
469 N P -3.0848
470 R P -3.0795
471 Y P 0.0000
472 K P -2.2734
473 Y P -0.7692
474 S P -0.3129
475 S P -0.3862
476 M P 0.0000
477 I P 0.0000
478 D P -0.2648
479 Y P -0.8196
480 N P -1.1754
481 P P -1.0863
482 L P -0.1687
483 E P -2.1363
484 K P -2.5448
485 K P -2.2712
486 L P 0.0000
487 F P 0.0000
488 A P 0.0000
489 W P -0.8145
490 D P -1.7702
491 N P -1.3231
492 L P -0.6233
493 N P -0.8271
494 M P 0.0000
495 V P 0.5709
496 T P -0.1493
497 Y P 0.0000
498 D P -2.7158
499 F P 0.0000
500 K P -1.7453
501 L P -0.6021
502 S P -0.7161
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Laboratory of Theory of Biopolymers 2018