Project name: 4135d822a27474d

Status: done

Started: 2024-12-26 07:47:08
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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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)
Show buried residues

Minimal score value
-3.6433
Maximal score value
1.3348
Average score
-0.5732
Total score value
-148.4545

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 -0.2425
245 C P 0.1151
246 G P -0.4117
247 E P -0.7310
248 L P 0.0000
249 V P 0.3794
250 W P 0.2215
251 V P 0.0000
252 G P -1.6301
253 E P -2.3250
254 P P -1.2626
255 L P 0.2051
256 T P 0.3506
257 L P 0.5258
258 R P -0.3539
259 T P -0.5332
260 A P 0.0000
261 E P -1.5187
262 T P 0.0190
263 I P 1.3348
264 T P 0.7161
265 G P 0.2940
266 K P -0.4576
267 Y P -0.2884
268 G P 0.0000
269 V P 0.0000
270 W P 0.0000
271 M P 0.0000
272 R P 0.0000
273 D P 0.0000
274 P P 0.0000
275 K P -1.5125
276 P P -0.7212
277 T P 0.1418
278 Y P 1.0682
279 P P 0.4564
280 Y P -0.1597
281 T P -0.8769
282 Q P -1.7181
283 E P -1.2106
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 -0.3119
290 T P 0.0000
291 V P 0.8535
292 G P -0.1342
293 T P -0.6324
294 D P -1.6231
295 V P 0.0000
296 R P -1.6855
297 Q P -0.4819
298 V P 0.0000
299 F P 0.6528
300 E P 0.0000
301 Y P 0.0000
302 D P -0.8164
303 L P 0.3632
304 I P 0.1541
305 S P -0.1698
306 Q P -0.3772
307 F P 0.0000
308 M P -0.2179
309 Q P -1.4230
310 G P -0.2817
311 Y P 0.6880
312 P P 0.1805
313 S P -0.2331
314 K P -0.0710
315 V P 0.7282
316 H P 0.0000
317 I P 1.0705
318 L P 0.0000
319 P P -0.6547
320 R P -1.1176
321 P P -1.6727
322 L P 0.0000
323 E P -1.4360
324 S P -0.3846
325 T P -0.3640
326 G P 0.0000
327 A P 0.0000
328 V P 0.0000
329 V P 0.0000
330 Y P 0.0000
331 S P -0.4934
332 G P 0.0000
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 -1.1247
339 A P -1.3198
340 E P -1.8485
341 S P -1.1868
342 R P -1.2533
343 T P -1.4535
344 V P 0.0000
345 I P 0.0000
346 R P 0.0000
347 Y P 0.0000
348 E P -1.4953
349 L P 0.0000
350 N P -1.5987
351 T P -1.6517
352 E P -2.1147
353 T P -1.2713
354 V P -1.2017
355 K P -2.3552
356 A P -1.9864
357 E P -2.0658
358 K P -2.6117
359 E P -2.4480
360 I P 0.0000
361 P P -0.9612
362 G P -0.7515
363 A P 0.0000
364 G P -0.5988
365 Y P -0.1147
366 H P -0.9284
367 G P -0.8874
368 Q P -1.3098
369 F P 0.0152
370 P P 0.0258
371 Y P -0.0195
372 S P -0.1812
373 W P 0.0000
374 G P -0.4465
375 G P 0.2898
376 Y P 0.8238
377 T P -0.1622
378 D P -0.2778
379 I P 0.0000
380 D P -0.7232
381 L P 0.0000
382 A P 0.0000
383 V P 0.0000
384 D P -1.0865
385 E P -1.9935
386 A P -1.0954
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 0.0000
394 T P -2.6973
395 D P -3.4537
396 E P -3.4472
397 A P -3.0635
398 K P -3.6433
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 0.0000
406 L P 0.0000
407 N P -3.0347
408 P P -2.2864
409 E P -3.1967
410 N P -3.4103
411 L P 0.0000
412 E P -3.4691
413 L P -1.9081
414 E P -2.7871
415 Q P -2.0545
416 T P -1.1254
417 W P -1.1787
418 E P -2.3782
419 T P 0.0000
420 N P -2.0403
421 I P 0.0000
422 R P -2.4004
423 K P 0.0000
424 Q P -1.5491
425 S P -1.0234
426 V P 0.0000
427 A P 0.0000
428 N P -0.2137
429 A P -0.1677
430 F P 0.0000
431 I P 0.0000
432 I P 0.0000
433 C P 0.0693
434 G P -0.0308
435 T P -0.1822
436 L P 0.0000
437 Y P 0.0000
438 T P 0.0000
439 V P 0.0000
440 S P -0.2886
441 S P 0.0000
442 Y P -0.4226
443 T P -1.1637
444 S P -1.1567
445 A P -1.5479
446 D P -2.0650
447 A P -1.1902
448 T P -0.7076
449 V P 0.0000
450 N P -0.2418
451 F P -0.4029
452 A P 0.0000
453 Y P 0.0000
454 D P -0.3553
455 T P 0.0000
456 G P -0.3843
457 T P 0.0036
458 G P -0.0914
459 I P 1.1561
460 S P -0.0511
461 K P -0.8565
462 T P -0.5262
463 L P 0.0000
464 T P -0.0533
465 I P 0.0000
466 P P -0.8859
467 F P 0.0000
468 K P -2.5459
469 N P 0.0000
470 R P -2.6537
471 Y P -1.6637
472 K P -2.1654
473 Y P -0.7841
474 S P 0.0000
475 S P 0.0000
476 M P 0.0000
477 I P 0.0000
478 D P -0.4045
479 Y P 0.0000
480 N P 0.0000
481 P P 0.0000
482 L P -1.4113
483 E P -1.8698
484 K P -2.4289
485 K P -2.0294
486 L P 0.0000
487 F P 0.0000
488 A P 0.0000
489 W P 0.0000
490 D P 0.0000
491 N P -1.3660
492 L P -0.4463
493 N P -0.6107
494 M P 0.0000
495 V P 0.0000
496 T P 0.0000
497 Y P 0.0000
498 D P -2.3904
499 I P -1.5708
500 K P -1.7059
501 L P -0.6700
502 S P -0.4466
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Laboratory of Theory of Biopolymers 2018