Project name: D1V2mpnn3AF0

Status: done

Started: 2025-07-15 11:50:16
Settings
Chain sequence(s) A: ALPLLDPQAVRSPLMRGCAGKPDSTPLPVDPRSLVKPGVNTNPDAALQFNAYFVDLHNPAAPYRQVLPPRPQTCGEFRASAAKGKENLETRQFFQPMALAESYHNIFKQWGYSERPADFEEQVSKRYGLYPAPFRNPYPLPGEDPNKTNGGSGQLPLGLIQGKDLNGNWTGLIGASCSACHDSRLGTPEEAPFTWGLPNSANDAGLLASDMFQTTPITPNGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPAWWARAFKTRQFWDGSLSSDNVHSEMAFGVANIFRTAAQRRGLEPEFEDINNFLISLSPATYPGPVDEEKAKKGAVIYHERDLWADGKNADIPKPPGNGSCASCHGVYSPRHAADPRYLPDPRLRGVAAVVTPIETIRTDPRRMRLMADERQRRAWNSGWWAYNNLSAEWTGWPPESIAASEERRVPRAAYNDGGPQYSPLGPNIWEEPVGYIAPPLYGAWATAPYFHNGSVPNLWGVLKPEERPKLWQRPLTAPGEGGKNAGYDYSFSSYDWERLGWKYTPVECSDDPSTSPFLPCSESLATEDIKYSMWDNVAAQYLNLPYQSPPKITDKQIESRMVYNSNLYGNSNGGHDFTASLTDEEREALIEYIKTL
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                                          (00:08:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:49)
Show buried residues

Minimal score value
-4.2045
Maximal score value
2.1553
Average score
-0.583
Total score value
-377.7773

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
1 A A 0.4556
2 L A 0.8978
3 P A 0.1168
4 L A -0.2370
5 L A -0.6320
6 D A -0.5221
7 P A -0.3877
8 Q A -0.2504
9 A A 0.2362
10 V A 0.8339
11 R A 0.0000
12 S A 0.0000
13 P A -0.2286
14 L A 0.0000
15 M A -0.1963
16 R A -0.6138
17 G A -0.3946
18 C A 0.0000
19 A A -0.6712
20 G A -1.3682
21 K A -2.0901
22 P A -1.9233
23 D A -2.8174
24 S A -1.7999
25 T A -1.4808
26 P A -1.0354
27 L A -0.6005
28 P A 0.1728
29 V A 0.5940
30 D A 0.0842
31 P A 0.0000
32 R A 0.0000
33 S A 0.1620
34 L A -0.0222
35 V A 0.0000
36 K A -0.8958
37 P A -0.8800
38 G A -0.7904
39 V A -0.6978
40 N A -1.2134
41 T A -0.8768
42 N A -1.6243
43 P A -1.6830
44 D A -2.5989
45 A A 0.0000
46 A A 0.0000
47 L A 0.0000
48 Q A -1.0207
49 F A 0.0000
50 N A -1.4009
51 A A 0.0000
52 Y A -0.2602
53 F A 0.0000
54 V A 0.3311
55 D A -0.4172
56 L A 0.0000
57 H A 0.0000
58 N A -1.6270
59 P A -0.8451
60 A A -0.4159
61 A A -0.3719
62 P A -0.5217
63 Y A -0.6220
64 R A -1.2788
65 Q A -1.4583
66 V A -0.0649
67 L A -0.2301
68 P A -0.4157
69 P A -0.9977
70 R A -1.4389
71 P A -1.6210
72 Q A -1.7004
73 T A -1.8577
74 C A 0.0000
75 G A -2.3809
76 E A -2.5266
77 F A 0.0000
78 R A -1.7247
79 A A -1.5184
80 S A -1.8131
81 A A 0.0000
82 A A -1.8980
83 K A -2.8676
84 G A 0.0000
85 K A -2.3702
86 E A -2.9960
87 N A 0.0000
88 L A 0.0000
89 E A -1.5920
90 T A -1.2615
91 R A -1.0316
92 Q A 0.0000
93 F A 0.0000
94 F A 0.0000
95 Q A 0.0000
96 P A 0.0000
97 M A 0.0000
98 A A 0.0000
99 L A -0.0456
100 A A 0.0000
101 E A -1.5941
102 S A -1.0521
103 Y A 0.0000
104 H A -1.1529
105 N A -1.6533
106 I A 0.0000
107 F A 0.0000
108 K A -2.4650
109 Q A -1.4468
110 W A 0.0000
111 G A -1.6749
112 Y A -1.9835
113 S A -1.8149
114 E A -2.5761
115 R A -2.0730
116 P A -1.8824
117 A A -1.3693
118 D A -1.9907
119 F A 0.0000
120 E A -2.7519
121 E A -3.0185
122 Q A 0.0000
123 V A 0.0000
124 S A -1.1932
125 K A -1.1415
126 R A 0.0000
127 Y A 0.0000
128 G A 0.0000
129 L A 0.0000
130 Y A 0.0000
131 P A -0.9354
132 A A -0.5015
133 P A -0.4251
134 F A -0.7506
135 R A -1.8611
136 N A 0.0000
137 P A 0.0000
138 Y A 0.0000
139 P A 0.0000
140 L A -0.6339
141 P A -1.1196
142 G A -1.2870
143 E A -2.0598
144 D A -2.9132
145 P A -2.3054
146 N A -2.6226
147 K A -2.9447
148 T A -2.2047
149 N A -2.2686
150 G A 0.0000
151 G A 0.0000
152 S A -0.7637
153 G A -0.7903
154 Q A -1.3014
155 L A 0.0000
156 P A 0.0000
157 L A 0.0000
158 G A 0.0000
159 L A 0.0000
160 I A 0.0000
161 Q A 0.0000
162 G A 0.0000
163 K A -1.3525
164 D A -1.2115
165 L A -0.6079
166 N A -1.5766
167 G A -1.5340
168 N A -1.9656
169 W A -1.6610
170 T A -0.7959
171 G A -0.6634
172 L A 0.0778
173 I A 0.0000
174 G A 0.0000
175 A A 0.0000
176 S A 0.0579
177 C A 0.1676
178 S A 0.0000
179 A A 0.0000
180 C A 0.1583
181 H A -0.0464
182 D A 0.0000
183 S A 0.0000
184 R A 0.0000
185 L A 0.0000
186 G A 0.0000
187 T A -1.1261
188 P A -1.5167
189 E A -2.5479
190 E A -2.0963
191 A A -1.1939
192 P A -0.7673
193 F A -0.0277
194 T A 0.0604
195 W A 0.0000
196 G A 0.0000
197 L A 0.0000
198 P A 0.0000
199 N A 0.0000
200 S A 0.0000
201 A A 0.0000
202 N A 0.0000
203 D A 0.0000
204 A A 0.0124
205 G A 0.0000
206 L A 0.0000
207 L A 0.0000
208 A A 0.0000
209 S A 0.0000
210 D A 0.0000
211 M A 0.0000
212 F A 0.7227
213 Q A -0.3202
214 T A -0.2462
215 T A -0.1376
216 P A -0.3474
217 I A 0.1733
218 T A -0.6048
219 P A -1.0924
220 N A -1.7203
221 G A -1.3156
222 N A -1.0523
223 L A 0.0000
224 L A 0.2272
225 P A 0.0000
226 L A 0.0000
227 P A 0.0371
228 W A 0.0000
229 S A 0.0000
230 T A -0.3470
231 G A -0.0613
232 R A 0.0000
233 G A 0.0000
234 S A -0.0088
235 S A -0.0221
236 D A 0.0000
237 A A 0.0606
238 I A 0.0000
239 G A -0.3912
240 L A 0.0000
241 I A 0.0000
242 S A -0.2455
243 L A 0.0000
244 L A 0.0000
245 P A 0.0000
246 A A 0.0000
247 L A 0.0000
248 F A 0.0000
249 D A 0.0000
250 M A 0.0000
251 E A 0.0000
252 T A 0.0000
253 L A 0.0000
254 T A 0.1476
255 L A 0.7298
256 A A 0.0000
257 P A 0.4571
258 S A 1.0702
259 L A 2.0841
260 L A 2.1553
261 E A 0.0000
262 Y A 0.7518
263 V A -0.0387
264 A A -0.5679
265 D A -1.9308
266 A A -1.1937
267 P A -1.2467
268 H A -1.1988
269 A A 0.0000
270 G A 0.0000
271 M A 0.0000
272 T A -0.0106
273 K A 0.0000
274 A A 0.0610
275 P A 0.0561
276 A A -0.0313
277 W A 0.0000
278 W A 0.0000
279 A A 0.0000
280 R A 0.0000
281 A A 0.0000
282 F A 0.0000
283 K A 0.0000
284 T A 0.0000
285 R A 0.0408
286 Q A 0.0000
287 F A 0.3887
288 W A 0.3271
289 D A 0.0000
290 G A 0.0000
291 S A 0.0000
292 L A 0.0000
293 S A 0.0000
294 S A 0.0000
295 D A -0.2278
296 N A 0.0000
297 V A 0.0000
298 H A 0.0000
299 S A 0.0000
300 E A -0.2861
301 M A 0.0000
302 A A 0.0000
303 F A 0.4025
304 G A 0.0000
305 V A 0.0000
306 A A 0.0000
307 N A 0.0000
308 I A 0.8997
309 F A 1.2452
310 R A 0.0000
311 T A -0.0384
312 A A 0.0000
313 A A -0.4752
314 Q A -0.5936
315 R A 0.0000
316 R A -0.7072
317 G A -0.8756
318 L A 0.0000
319 E A -1.0708
320 P A -0.9487
321 E A -1.3738
322 F A 0.0000
323 E A -1.1512
324 D A -1.6074
325 I A 0.0000
326 N A 0.0000
327 N A -0.8035
328 F A 0.0000
329 L A 0.0000
330 I A 0.0000
331 S A -0.0044
332 L A 0.3148
333 S A 0.2830
334 P A 0.0000
335 A A 0.0696
336 T A -0.1152
337 Y A 0.0000
338 P A -0.2952
339 G A -0.2651
340 P A -0.7495
341 V A -1.4287
342 D A -3.1366
343 E A -4.0450
344 E A -4.2045
345 K A -4.0536
346 A A 0.0000
347 K A -3.0692
348 K A -3.1122
349 G A 0.0000
350 A A 0.0000
351 V A -0.5669
352 I A 0.0000
353 Y A 0.0000
354 H A 0.0000
355 E A -1.4029
356 R A -1.1127
357 D A -1.4528
358 L A 0.0000
359 W A -1.6380
360 A A -1.6613
361 D A -2.5216
362 G A -2.2436
363 K A -2.6065
364 N A -2.0333
365 A A -1.8671
366 D A -2.4231
367 I A 0.0000
368 P A -1.4539
369 K A -1.6081
370 P A -0.7762
371 P A -1.1165
372 G A -1.0700
373 N A -1.4237
374 G A 0.0000
375 S A 0.0000
376 C A -0.2554
377 A A 0.0000
378 S A -0.3716
379 C A -0.1914
380 H A -0.0035
381 G A 0.0000
382 V A 0.0000
383 Y A 0.0000
384 S A 0.0000
385 P A -0.3196
386 R A -0.5671
387 H A 0.0000
388 A A 0.0000
389 A A -0.9051
390 D A -1.2401
391 P A -1.6100
392 R A -2.4797
393 Y A -1.6114
394 L A 0.0000
395 P A -1.1513
396 D A -1.1110
397 P A -1.5235
398 R A -1.9109
399 L A 0.0000
400 R A -1.0222
401 G A 0.0000
402 V A 0.0000
403 A A 0.0000
404 A A 0.0000
405 V A 0.0000
406 V A 0.0000
407 T A 0.0000
408 P A -0.2197
409 I A -0.5034
410 E A -2.0871
411 T A 0.0000
412 I A -1.0672
413 R A -1.6816
414 T A 0.0000
415 D A 0.0000
416 P A -0.9453
417 R A -1.0306
418 R A 0.0000
419 M A -0.4454
420 R A -1.3991
421 L A 0.0000
422 M A 0.0000
423 A A -1.5840
424 D A -2.1241
425 E A -3.4014
426 R A -2.6891
427 Q A 0.0000
428 R A 0.0000
429 R A -1.4442
430 A A 0.0000
431 W A 0.0000
432 N A -0.0670
433 S A 0.0000
434 G A 0.0000
435 W A 0.0000
436 W A 0.0000
437 A A 0.0000
438 Y A 0.0000
439 N A 0.0000
440 N A -0.3323
441 L A 0.0000
442 S A 0.0000
443 A A -1.0454
444 E A -1.7994
445 W A -0.7652
446 T A -0.4452
447 G A -0.1817
448 W A 0.2241
449 P A -0.1676
450 P A -0.3629
451 E A -0.4512
452 S A -0.1121
453 I A 0.8820
454 A A -0.2727
455 A A -0.8572
456 S A 0.0000
457 E A -1.3275
458 E A -1.8426
459 R A 0.0000
460 R A 0.0000
461 V A 1.2926
462 P A 0.3692
463 R A 0.0000
464 A A 0.5156
465 A A -0.2604
466 Y A -0.7854
467 N A 0.0000
468 D A -2.6902
469 G A -2.0030
470 G A -1.0394
471 P A -0.7964
472 Q A -0.5691
473 Y A 0.6945
474 S A 0.0000
475 P A -0.3337
476 L A 0.1150
477 G A 0.0000
478 P A 0.3784
479 N A 0.0000
480 I A 0.5114
481 W A 0.0000
482 E A -1.8379
483 E A -2.2895
484 P A -0.6390
485 V A 0.6345
486 G A 0.0000
487 Y A 0.0000
488 I A 0.0000
489 A A 0.0000
490 P A 0.0009
491 P A 0.0000
492 L A 0.1768
493 Y A 0.0000
494 G A 0.0000
495 A A 0.0000
496 W A 0.0000
497 A A 0.0000
498 T A 0.0354
499 A A 0.0000
500 P A 0.0000
501 Y A 0.2296
502 F A 0.2529
503 H A 0.0000
504 N A 0.0000
505 G A 0.0000
506 S A 0.0000
507 V A 0.0000
508 P A 0.0000
509 N A 0.0000
510 L A 0.0000
511 W A 0.0000
512 G A 0.0000
513 V A 0.0000
514 L A 0.0000
515 K A -1.4068
516 P A -1.6694
517 E A -2.5312
518 E A -2.1884
519 R A -1.7298
520 P A -1.6608
521 K A -2.1564
522 L A 0.0000
523 W A 0.0000
524 Q A -0.2373
525 R A 0.0000
526 P A -0.0810
527 L A 0.4377
528 T A 0.0995
529 A A -0.3989
530 P A -1.1492
531 G A -2.0329
532 E A -2.7483
533 G A -2.2713
534 G A -1.7191
535 K A -1.9652
536 N A -1.5085
537 A A -0.4888
538 G A 0.0000
539 Y A 0.0000
540 D A -0.0745
541 Y A 0.1516
542 S A -0.3805
543 F A 0.0261
544 S A -0.2479
545 S A 0.0000
546 Y A 0.0000
547 D A -1.3715
548 W A -1.2596
549 E A -2.5436
550 R A -2.3477
551 L A 0.0000
552 G A 0.0000
553 W A 0.0000
554 K A -1.2600
555 Y A -0.4001
556 T A -0.2621
557 P A -0.8921
558 V A -0.8986
559 E A -1.8483
560 C A -1.3069
561 S A -1.4511
562 D A -2.0460
563 D A -2.2278
564 P A -1.4023
565 S A -1.0553
566 T A -1.0437
567 S A -0.9360
568 P A -0.7641
569 F A 0.0000
570 L A 0.0000
571 P A 0.0000
572 C A -1.1118
573 S A -0.9331
574 E A -1.8406
575 S A -1.0557
576 L A -0.9723
577 A A 0.0000
578 T A -1.3712
579 E A -2.4600
580 D A 0.0000
581 I A -1.2177
582 K A -2.2198
583 Y A -1.5860
584 S A -1.3091
585 M A 0.0000
586 W A 0.0000
587 D A -1.9066
588 N A -0.8330
589 V A 0.0000
590 A A 0.0000
591 A A -0.2743
592 Q A -0.5948
593 Y A 0.0501
594 L A 0.1732
595 N A -0.7820
596 L A 0.2035
597 P A 0.0024
598 Y A -0.0579
599 Q A -1.0544
600 S A -0.5751
601 P A 0.0000
602 P A -1.2951
603 K A -2.0826
604 I A 0.0000
605 T A -1.8124
606 D A -2.8791
607 K A -2.3391
608 Q A 0.0000
609 I A -1.2579
610 E A -1.7568
611 S A -0.9484
612 R A 0.0000
613 M A 0.0000
614 V A 0.0000
615 Y A -0.2407
616 N A 0.0000
617 S A 0.0000
618 N A -0.7568
619 L A 0.0000
620 Y A -0.0681
621 G A 0.0000
622 N A 0.0000
623 S A -0.4257
624 N A -0.7662
625 G A -1.0505
626 G A 0.0000
627 H A -0.7105
628 D A -1.3118
629 F A 0.0000
630 T A 0.0000
631 A A -0.9431
632 S A -0.9906
633 L A 0.0000
634 T A -1.3682
635 D A -2.2369
636 E A -2.9515
637 E A -2.3084
638 R A 0.0000
639 E A -3.2021
640 A A 0.0000
641 L A 0.0000
642 I A 0.0000
643 E A -2.2820
644 Y A 0.0000
645 I A 0.0000
646 K A 0.0000
647 T A 0.0000
648 L A 0.0000
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018