Project name: chi304

Status: done

Started: 2026-07-24 13:20:03
Settings
Chain sequence(s) A: MKRSFLCVLLAGGLLLIGGCLVPLGPSEREGGESARAAAGGLPYHIVVYFPEWGIYAGHNYYYPEHVPFEYITHLNYAFLEIKKVGTNQFQLGIIDSWASLQKAYGTWDQTERMGNIRELKYQRDLRNPNVKLLFSVGGWSRSGYFSEMAYTPEGRASFIQSCIEYLRTYGYDGIDIDWEWPGVYRAPSNSPPGDQGNPVYGTPEEDKRNFTLLLKELRAALDQAGQQDGKHYLLTVAVGAGKDKIDMTEPNVYHQYVDYIGLMTYDFHGGWENVTNHQSPLYPNPNDPSEYRDTYNIDWVVKYFSGQYSVPKEKLVVGLPYYSRGWKGVDPNTGINGLFAQAQGAADTGAWDGHTAPYYQTRAWGQGADGFIRYWDDTAKVPWLYNPSTGYMWTFEDLESITIKANYLKQNGYGGFLIWDITGDYPNVANGEKGAELTKAIYELFGGDSVPSPTPTPSTTPTPSPTPTATPSPTPTPTPTSTPTSTPSPTPTPTVTPTPTPTGTAYPVWDPSQVYVGGDRVYWNGHNWEARWWTKGEEPGTTGEWGVWKDLGPAEGATPSPTPTPTPTPTPTATPTPTSTMTPTPTASPTPTPSGGPAEWQAYTAYAVGDRVSYGGVVYRCLQAHTSLPGWEPPNAPALWQAE
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                                          (00:04:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:10)
Show buried residues

Minimal score value
-3.9545
Maximal score value
3.5691
Average score
-0.5067
Total score value
-326.3162

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 M A -0.3444
2 K A -2.1403
3 R A -2.1772
4 S A -0.1665
5 F A 2.3504
6 L A 3.1665
7 C A 3.0131
8 V A 3.5691
9 L A 3.4480
10 L A 2.6759
11 A A 0.8283
12 G A 0.0363
13 G A 0.4820
14 L A 2.3375
15 L A 3.3424
16 L A 3.4678
17 I A 2.7320
18 G A 1.2867
19 G A 0.7467
20 C A 1.5853
21 L A 2.7466
22 V A 2.8493
23 P A 1.6514
24 L A 1.7160
25 G A 0.0283
26 P A -0.9469
27 S A -1.8832
28 E A -3.5464
29 R A -3.9374
30 E A -3.9545
31 G A -2.9497
32 G A -2.6403
33 E A -2.9834
34 S A -1.9996
35 A A -1.7913
36 R A -2.6558
37 A A -1.3558
38 A A -0.9907
39 A A -1.1373
40 G A -1.0984
41 G A -1.2090
42 L A 0.0000
43 P A -1.3099
44 Y A -0.9188
45 H A -0.3813
46 I A 0.0000
47 V A 0.0000
48 V A 0.0000
49 Y A 0.0000
50 F A 0.0000
51 P A 0.0000
52 E A 0.0000
53 W A 0.7691
54 G A 0.0000
55 I A 0.0000
56 Y A 0.9967
57 A A 0.4810
58 G A -0.2595
59 H A 0.0542
60 N A 0.2071
61 Y A 1.3320
62 Y A 0.0000
63 Y A 0.2457
64 P A 0.0000
65 E A -1.4504
66 H A -0.8691
67 V A 0.0000
68 P A 0.0000
69 F A 0.0000
70 E A -0.8087
71 Y A -0.6674
72 I A 0.0000
73 T A 0.0000
74 H A 0.0000
75 L A 0.0000
76 N A 0.0000
77 Y A 0.0000
78 A A 0.0000
79 F A 0.0000
80 L A 0.0000
81 E A -0.4101
82 I A 0.0000
83 K A -1.1244
84 K A -1.4033
85 V A 0.4010
86 G A -0.2869
87 T A -0.6944
88 N A -1.3838
89 Q A -1.4693
90 F A 0.0000
91 Q A -1.2319
92 L A 0.0000
93 G A 0.0000
94 I A 0.3931
95 I A 0.5431
96 D A 0.2671
97 S A 0.2791
98 W A 0.7702
99 A A 0.0000
100 S A 0.0000
101 L A 0.0132
102 Q A -0.5411
103 K A -0.3386
104 A A -0.7514
105 Y A 0.0000
106 G A -0.5295
107 T A -0.0984
108 W A 0.2917
109 D A -1.0991
110 Q A -1.8445
111 T A -1.6475
112 E A -2.3138
113 R A -1.6525
114 M A -1.0575
115 G A 0.0000
116 N A 0.0000
117 I A 0.0000
118 R A -1.0574
119 E A 0.0000
120 L A 0.0000
121 K A -0.9885
122 Y A -0.7808
123 Q A -0.6936
124 R A 0.0000
125 D A -1.2540
126 L A 0.4058
127 R A -0.8379
128 N A -1.2129
129 P A -1.4683
130 N A -1.8673
131 V A 0.0000
132 K A -0.9209
133 L A 0.0000
134 L A 0.0000
135 F A 0.0000
136 S A 0.0000
137 V A 0.0000
138 G A 0.0000
139 G A 0.0000
140 W A 0.6643
141 S A -0.3131
142 R A -0.2680
143 S A 0.0000
144 G A -0.1169
145 Y A -0.2681
146 F A 0.0000
147 S A 0.0000
148 E A -0.3826
149 M A 0.0000
150 A A 0.0000
151 Y A -0.3459
152 T A -0.7353
153 P A -1.0968
154 E A -2.1490
155 G A 0.0000
156 R A 0.0000
157 A A -1.2627
158 S A -1.2421
159 F A 0.0000
160 I A 0.0000
161 Q A -1.5308
162 S A 0.0000
163 C A 0.0000
164 I A 0.0000
165 E A -2.3196
166 Y A -1.2057
167 L A 0.0000
168 R A -1.8296
169 T A -1.0096
170 Y A -0.7278
171 G A -0.8772
172 Y A 0.0000
173 D A -0.7357
174 G A 0.0000
175 I A 0.0000
176 D A 0.0000
177 I A 0.0000
178 D A 0.0000
179 W A 0.0000
180 E A 0.0000
181 W A 0.4734
182 P A 0.0000
183 G A -0.4520
184 V A 0.5796
185 Y A 1.5095
186 R A 0.4921
187 A A -0.0101
188 P A -0.8271
189 S A -1.2087
190 N A -1.8025
191 S A -1.1778
192 P A -1.1487
193 P A -1.2163
194 G A -1.1497
195 D A 0.0000
196 Q A -0.8462
197 G A 0.0000
198 N A 0.0000
199 P A 0.5290
200 V A 0.5813
201 Y A 0.6491
202 G A -0.5036
203 T A -0.9016
204 P A -1.2043
205 E A -2.8623
206 E A -2.4274
207 D A 0.0000
208 K A -2.2574
209 R A -2.5694
210 N A 0.0000
211 F A 0.0000
212 T A 0.0000
213 L A -0.4839
214 L A 0.0000
215 L A 0.0000
216 K A -1.2086
217 E A -1.0387
218 L A 0.0000
219 R A 0.0000
220 A A -1.1131
221 A A -1.3654
222 L A 0.0000
223 D A -2.8115
224 Q A -2.8327
225 A A 0.0000
226 G A 0.0000
227 Q A -3.3081
228 Q A -2.9429
229 D A -2.9159
230 G A -2.4209
231 K A -2.3901
232 H A -2.1584
233 Y A 0.0000
234 L A -0.5524
235 L A 0.0000
236 T A 0.0000
237 V A 0.0000
238 A A 0.0000
239 V A 0.0000
240 G A 0.0000
241 A A 0.0000
242 G A -0.9396
243 K A -1.4721
244 D A -1.8619
245 K A -1.2895
246 I A 0.0000
247 D A -1.3513
248 M A -1.4448
249 T A 0.0000
250 E A -0.9129
251 P A 0.0000
252 N A -1.3967
253 V A -0.6549
254 Y A 0.0000
255 H A -1.1083
256 Q A -1.5231
257 Y A -0.8020
258 V A 0.0000
259 D A -0.8980
260 Y A 0.0000
261 I A 0.0000
262 G A 0.0000
263 L A 0.0000
264 M A 0.0158
265 T A 0.0000
266 Y A 0.0000
267 D A -0.6708
268 F A 0.0000
269 H A 0.0000
270 G A 0.0000
271 G A -0.5742
272 W A 0.6448
273 E A -0.6679
274 N A -1.6759
275 V A -0.7823
276 T A 0.0000
277 N A 0.0000
278 H A 0.0000
279 Q A 0.0000
280 S A 0.0000
281 P A 0.0000
282 L A 0.0000
283 Y A -0.2828
284 P A -0.8524
285 N A 0.0000
286 P A -1.3408
287 N A -1.5315
288 D A -1.5978
289 P A -1.1775
290 S A -1.4533
291 E A -2.1378
292 Y A -1.3041
293 R A -2.0929
294 D A -2.0614
295 T A -1.0400
296 Y A -0.6612
297 N A 0.0000
298 I A 0.0000
299 D A -0.5737
300 W A -0.7761
301 V A 0.0000
302 V A 0.0000
303 K A -2.1159
304 Y A -1.3165
305 F A 0.0000
306 S A -1.7932
307 G A -1.6701
308 Q A -1.8592
309 Y A -1.3617
310 S A -1.2396
311 V A 0.0000
312 P A -1.5921
313 K A -2.3884
314 E A -2.9053
315 K A -1.7989
316 L A 0.0000
317 V A 0.0000
318 V A 0.0000
319 G A 0.0000
320 L A 0.0000
321 P A 0.0000
322 Y A 0.0000
323 Y A 0.0000
324 S A 0.0000
325 R A -0.5287
326 G A 0.0000
327 W A 0.0000
328 K A -1.6167
329 G A -1.2988
330 V A 0.0000
331 D A -1.9292
332 P A -1.4729
333 N A -1.7569
334 T A -1.1020
335 G A -0.6514
336 I A 0.5582
337 N A -0.5686
338 G A 0.0000
339 L A 0.0000
340 F A -0.3048
341 A A 0.0000
342 Q A -1.9977
343 A A 0.0000
344 Q A -2.0675
345 G A -1.3084
346 A A -1.0783
347 A A 0.0000
348 D A -2.0659
349 T A -1.1946
350 G A 0.0000
351 A A -0.8129
352 W A -1.0345
353 D A -2.3032
354 G A -1.8423
355 H A -1.9777
356 T A 0.0000
357 A A 0.0000
358 P A 0.0000
359 Y A 0.0000
360 Y A 0.3208
361 Q A 0.0292
362 T A 0.0000
363 R A -0.7574
364 A A -0.7019
365 W A 0.0000
366 G A -1.1614
367 Q A -1.7518
368 G A -1.5024
369 A A -1.4746
370 D A -2.1292
371 G A -1.4757
372 F A 0.0000
373 I A 0.0465
374 R A -0.5009
375 Y A 0.0788
376 W A -0.4851
377 D A 0.0000
378 D A -1.7781
379 T A -1.0702
380 A A 0.0000
381 K A -0.8981
382 V A 0.0000
383 P A 0.0000
384 W A 0.0000
385 L A 0.0000
386 Y A 0.0000
387 N A 0.0000
388 P A -0.4886
389 S A -0.4042
390 T A -0.5412
391 G A 0.0000
392 Y A -0.3935
393 M A 0.0000
394 W A 0.0000
395 T A 0.0000
396 F A 0.0000
397 E A 0.0000
398 D A -0.3179
399 L A -0.0046
400 E A -0.7861
401 S A 0.0000
402 I A 0.0000
403 T A -0.1689
404 I A 0.0027
405 K A 0.0000
406 A A 0.0000
407 N A -1.4573
408 Y A 0.0000
409 L A 0.0000
410 K A -2.2023
411 Q A -2.1850
412 N A -1.9349
413 G A -1.9995
414 Y A 0.0000
415 G A 0.0000
416 G A 0.0000
417 F A 0.0000
418 L A 0.0000
419 I A 0.0000
420 W A 0.2133
421 D A 0.0000
422 I A 0.0000
423 T A 0.0000
424 G A 0.0000
425 D A 0.0000
426 Y A 0.0000
427 P A -0.4667
428 N A -0.8165
429 V A 0.5910
430 A A -0.4242
431 N A -1.8694
432 G A -1.9549
433 E A -3.0666
434 K A -2.8589
435 G A 0.0000
436 A A -1.0235
437 E A -0.8530
438 L A 0.0000
439 T A 0.0000
440 K A -1.0680
441 A A -0.5971
442 I A 0.0000
443 Y A 0.0000
444 E A -1.6760
445 L A -0.8834
446 F A 0.0000
447 G A -1.3033
448 G A -1.7226
449 D A -2.1151
450 S A -1.3721
451 V A -0.5615
452 P A -0.4509
453 S A -0.6091
454 P A -0.4585
455 T A -0.4685
456 P A -0.5194
457 T A -0.4360
458 P A -0.4976
459 S A -0.4766
460 T A -0.3531
461 T A -0.3624
462 P A -0.4523
463 T A -0.3884
464 P A -0.5249
465 S A -0.5184
466 P A -0.5052
467 T A -0.3986
468 P A -0.3672
469 T A -0.1956
470 A A -0.1279
471 T A -0.2260
472 P A -0.4333
473 S A -0.4875
474 P A -0.4983
475 T A -0.3742
476 P A -0.4319
477 T A -0.3533
478 P A -0.4373
479 T A -0.3484
480 P A -0.4210
481 T A -0.3268
482 S A -0.3869
483 T A -0.3408
484 P A -0.4160
485 T A -0.3249
486 S A -0.3837
487 T A -0.3494
488 P A -0.4983
489 S A -0.4980
490 P A -0.5121
491 T A -0.4415
492 P A -0.4427
493 T A -0.1560
494 P A 0.0841
495 T A 0.5654
496 V A 1.5561
497 T A 0.5555
498 P A 0.0259
499 T A -0.1419
500 P A -0.4485
501 T A -0.3228
502 P A -0.3611
503 T A -0.4283
504 G A -0.8473
505 T A -0.4948
506 A A -0.2806
507 Y A -0.0255
508 P A -0.2078
509 V A 0.1296
510 W A 0.0000
511 D A -1.9506
512 P A -2.1519
513 S A -1.6753
514 Q A -1.8840
515 V A -0.4475
516 Y A 0.0000
517 V A 1.4759
518 G A 0.2452
519 G A -0.8494
520 D A -0.9028
521 R A -1.4456
522 V A 0.0000
523 Y A -0.2533
524 W A -0.8590
525 N A -1.3941
526 G A -1.2187
527 H A -1.1649
528 N A -0.9279
529 W A -1.1970
530 E A -1.2196
531 A A 0.0000
532 R A -0.2320
533 W A 1.4360
534 W A 1.7873
535 T A 0.0000
536 K A -2.2622
537 G A -2.6572
538 E A -3.1987
539 E A -2.5612
540 P A 0.0000
541 G A -1.7900
542 T A -1.0793
543 T A -1.0043
544 G A -1.4384
545 E A -1.9594
546 W A -0.0920
547 G A 0.0000
548 V A 0.0000
549 W A 0.0000
550 K A -1.8862
551 D A -1.9535
552 L A -0.3526
553 G A -0.7186
554 P A -1.1676
555 A A -1.2839
556 E A -2.2408
557 G A -1.4945
558 A A -0.9629
559 T A -0.5922
560 P A -0.5218
561 S A -0.5323
562 P A -0.5400
563 T A -0.4534
564 P A -0.4943
565 T A -0.4164
566 P A -0.4740
567 T A -0.4198
568 P A -0.4700
569 T A -0.4182
570 P A -0.4696
571 T A -0.3772
572 P A -0.3905
573 T A -0.2600
574 A A -0.1579
575 T A -0.2582
576 P A -0.3854
577 T A -0.3723
578 P A -0.4521
579 T A -0.2489
580 S A -0.1044
581 T A 0.2712
582 M A 0.8660
583 T A 0.2291
584 P A -0.1470
585 T A -0.3403
586 P A -0.4025
587 T A -0.2567
588 A A -0.2017
589 S A -0.4099
590 P A -0.4556
591 T A -0.4043
592 P A -0.4943
593 T A -0.4617
594 P A -0.6942
595 S A -0.7410
596 G A -0.8844
597 G A -1.2325
598 P A -1.4673
599 A A -1.5094
600 E A -2.2347
601 W A 0.0000
602 Q A -1.1460
603 A A 0.2761
604 Y A 1.3078
605 T A 0.4200
606 A A 0.1837
607 Y A 0.0000
608 A A 0.0908
609 V A 0.8020
610 G A -0.6491
611 D A -1.5421
612 R A -2.8107
613 V A 0.0000
614 S A -0.9572
615 Y A -0.2194
616 G A -0.4031
617 G A -0.2278
618 V A 0.3607
619 V A -0.7142
620 Y A 0.0000
621 R A -2.0209
622 C A 0.0000
623 L A -0.2569
624 Q A -0.5154
625 A A 0.0692
626 H A 0.2118
627 T A 0.3366
628 S A 0.0000
629 L A 1.0076
630 P A 0.1388
631 G A -0.4926
632 W A -0.0252
633 E A -0.6738
634 P A 0.0000
635 P A -0.9231
636 N A -1.4607
637 A A 0.0000
638 P A -0.6655
639 A A -0.3742
640 L A -0.2947
641 W A 0.0000
642 Q A -1.6099
643 A A -1.2887
644 E A -2.0617
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Laboratory of Theory of Biopolymers 2018