Project name: TRF

Status: done

Started: 2025-02-17 03:01:01
Settings
Chain sequence(s) A: VPDKTVRWCAVSEHEATKCQSFRDHMKSVIPSDGPSVACVKKASYLDCIRAIAANEADAVTLDAGLVYDAYLAPNNLKPVVAEFYGSKEDPQTFYYAVAVVKKDSGFQMNQLRGKKSCHTGLGRSAGWNIPIGLLYCDLPEPRKPLEKAVANFFSGSCAPCADGTDFPQLCQLCPGCGCSTLNQYFGYSGAFKCLKDGAGDVAFVKHSTIFENLANKADRDQYELLCLDNTRKPVDEYKDCHLAQVPSHTVVARSMGGKEDLIWELLNQAQEHFGKDKSKEFQLFSSPHGKDLLFKDSAHGFLKVPPRMDAKMYLGYEYVTAIRNLREGTCPEAPTDECKPVKWCALSHHERLKCDEWSVNSVGKIECVSAETTEDCIAKIMNGEADAMSLDGGFVYIAGKCGLVPVLAENYNKSDNCEDTPEAGYFAVAVVKKSASDLTWDNLKGKKSCHTAVGRTAGWNIPMGLLYNKINHCRFDEFFSEGCAPGSKKDSSLCKLCMGSGLNLCEPNNKEGYYGYTGAFRCLVEKGDVAFVKHQTVPQNTGGKNPDPWAKNLNEKDYELLCLDGTRKPVEEYANCHLARAPNHAVVTRKDKEACVHKILRQQQHLFGSNVTDCSGNFCLFRSETKDLLFRDDTVCLAKLHDRNTYEKYLGEEYVKAVGNLRKCSTSSLLEACTFRRP
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                                          (00:12:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:35)
Show buried residues

Minimal score value
-3.8283
Maximal score value
1.4726
Average score
-0.9543
Total score value
-647.9449

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 V A 0.9947
2 P A -0.4337
3 D A -1.9395
4 K A -2.1234
5 T A -1.2064
6 V A 0.0000
7 R A -0.9536
8 W A 0.0000
9 C A 0.0000
10 A A 0.0000
11 V A -0.5957
12 S A -1.4275
13 E A -2.4603
14 H A -2.0292
15 E A 0.0000
16 A A -1.2652
17 T A -0.9795
18 K A 0.0000
19 C A 0.0000
20 Q A -1.2129
21 S A -1.2056
22 F A 0.0000
23 R A -2.2778
24 D A -2.8803
25 H A -2.1164
26 M A 0.0000
27 K A -2.3519
28 S A -1.0662
29 V A 0.1746
30 I A -0.4475
31 P A -0.9574
32 S A -1.4266
33 D A -2.3257
34 G A -1.8379
35 P A 0.0000
36 S A -1.6975
37 V A 0.0000
38 A A -0.4426
39 C A -0.3385
40 V A -0.8841
41 K A -2.0948
42 K A -1.6943
43 A A -0.6794
44 S A 0.0700
45 Y A 0.6192
46 L A 0.6735
47 D A -0.9066
48 C A 0.0000
49 I A 0.0000
50 R A -2.2617
51 A A 0.0000
52 I A 0.0000
53 A A -1.4231
54 A A -1.4037
55 N A -2.0398
56 E A -2.4744
57 A A 0.0000
58 D A 0.0000
59 A A 0.0000
60 V A 0.0000
61 T A 0.0000
62 L A 0.0000
63 D A -0.8819
64 A A 0.0000
65 G A -0.6258
66 L A -0.0582
67 V A 0.0000
68 Y A -0.6321
69 D A -0.7939
70 A A 0.0000
71 Y A -0.6152
72 L A -0.3647
73 A A -0.3733
74 P A -0.7540
75 N A 0.0000
76 N A -1.0237
77 L A 0.0000
78 K A -0.7837
79 P A 0.0000
80 V A 0.0000
81 V A 0.0000
82 A A 0.0000
83 E A 0.0000
84 F A 0.0000
85 Y A -0.9064
86 G A -1.6383
87 S A -2.4106
88 K A -3.3269
89 E A -3.6780
90 D A -3.4288
91 P A -2.4191
92 Q A -1.7351
93 T A 0.0000
94 F A 0.0000
95 Y A -0.1249
96 Y A 0.0000
97 A A 0.0000
98 V A 0.0000
99 A A 0.0000
100 V A 0.0000
101 V A 0.0000
102 K A -2.7990
103 K A -3.5003
104 D A -3.0330
105 S A -1.9607
106 G A -1.6324
107 F A 0.0000
108 Q A -1.9853
109 M A 0.0000
110 N A -2.6658
111 Q A -2.3305
112 L A 0.0000
113 R A -3.0137
114 G A -1.8307
115 K A -1.6161
116 K A -1.5330
117 S A 0.0000
118 C A 0.0000
119 H A 0.0000
120 T A 0.0000
121 G A 0.0000
122 L A -0.2564
123 G A -0.8052
124 R A -1.2798
125 S A 0.0000
126 A A 0.0000
127 G A 0.0000
128 W A 0.0000
129 N A -0.4752
130 I A 0.0000
131 P A 0.0000
132 I A 0.0000
133 G A 0.0000
134 L A 0.1092
135 L A -0.4728
136 Y A 0.0000
137 C A -0.7990
138 D A -2.2199
139 L A 0.0000
140 P A -2.0224
141 E A -2.8127
142 P A -2.3104
143 R A -2.3975
144 K A -2.5010
145 P A -1.7015
146 L A -1.3282
147 E A -1.7051
148 K A -2.3615
149 A A 0.0000
150 V A 0.0000
151 A A 0.0000
152 N A -2.2515
153 F A 0.0000
154 F A 0.0000
155 S A -1.4987
156 G A 0.0000
157 S A 0.0000
158 C A 0.0000
159 A A 0.0000
160 P A 0.0000
161 C A 0.1022
162 A A -0.7786
163 D A -2.0084
164 G A -1.9219
165 T A -1.6210
166 D A -2.5774
167 F A 0.0000
168 P A -1.8731
169 Q A -2.1251
170 L A 0.0000
171 C A 0.0000
172 Q A -1.6747
173 L A -0.7668
174 C A 0.0000
175 P A -1.0309
176 G A -0.9192
177 C A -0.6699
178 G A 0.0266
179 C A 0.8055
180 S A 0.5704
181 T A 0.4718
182 L A 1.1897
183 N A -0.0111
184 Q A -0.9437
185 Y A 0.0000
186 F A 0.3378
187 G A 0.0280
188 Y A 0.0482
189 S A -0.6050
190 G A 0.0000
191 A A 0.0000
192 F A 0.0000
193 K A -1.7971
194 C A 0.0000
195 L A 0.0000
196 K A -2.6563
197 D A -2.4999
198 G A -1.8837
199 A A -1.3117
200 G A 0.0000
201 D A -1.5090
202 V A 0.0000
203 A A 0.0000
204 F A 0.0000
205 V A 0.0000
206 K A -0.0945
207 H A -0.9321
208 S A -0.5892
209 T A 0.0000
210 I A 0.0000
211 F A -1.1012
212 E A -1.6834
213 N A -1.6645
214 L A -1.3478
215 A A -1.4020
216 N A -2.4621
217 K A -3.3356
218 A A -2.3988
219 D A -2.7852
220 R A -3.2195
221 D A -3.8283
222 Q A -3.6104
223 Y A 0.0000
224 E A -2.4451
225 L A 0.0000
226 L A 0.0000
227 C A 0.0000
228 L A -0.8158
229 D A -2.2784
230 N A -2.2472
231 T A -1.4178
232 R A -1.6561
233 K A -1.7600
234 P A -2.1868
235 V A 0.0000
236 D A -3.2893
237 E A -3.2833
238 Y A -2.4738
239 K A -3.0200
240 D A -3.0252
241 C A 0.0000
242 H A -1.0015
243 L A 0.0000
244 A A 0.0000
245 Q A 0.0000
246 V A 0.0000
247 P A 0.0000
248 S A -0.4292
249 H A -0.4843
250 T A 0.0000
251 V A 0.0000
252 V A 0.0000
253 A A 0.0000
254 R A 0.0000
255 S A -0.3764
256 M A 0.3543
257 G A -0.5577
258 G A 0.0000
259 K A -2.2437
260 E A -2.5101
261 D A -2.9691
262 L A 0.0000
263 I A 0.0000
264 W A -1.8026
265 E A -2.2036
266 L A 0.0000
267 L A 0.0000
268 N A -1.5745
269 Q A -1.4592
270 A A 0.0000
271 Q A -2.0176
272 E A -2.6239
273 H A -1.9705
274 F A 0.0000
275 G A 0.0000
276 K A -2.5682
277 D A -3.1175
278 K A -3.5534
279 S A -3.0435
280 K A -3.3336
281 E A -2.9684
282 F A 0.0000
283 Q A -1.9936
284 L A 0.0000
285 F A 0.0000
286 S A -1.3021
287 S A -1.2583
288 P A -1.1069
289 H A -1.8575
290 G A -1.8424
291 K A -2.7676
292 D A -2.3468
293 L A 0.0000
294 L A 0.0000
295 F A 0.0000
296 K A -1.7127
297 D A -1.7232
298 S A -0.8887
299 A A 0.0000
300 H A -1.3067
301 G A 0.0000
302 F A 0.0000
303 L A -0.1053
304 K A -1.3470
305 V A 0.0000
306 P A 0.0000
307 P A -1.5632
308 R A -1.7115
309 M A 0.0000
310 D A -1.4512
311 A A 0.0000
312 K A -0.9602
313 M A -0.6680
314 Y A 0.0000
315 L A 0.0000
316 G A 0.0000
317 Y A -0.2605
318 E A -0.8040
319 Y A 0.0000
320 V A -0.3908
321 T A -0.4999
322 A A 0.0000
323 I A -0.9204
324 R A -1.9175
325 N A -1.3703
326 L A -1.2833
327 R A -2.6364
328 E A -2.2865
329 G A -1.7693
330 T A -1.1482
331 C A -0.8759
332 P A -1.3380
333 E A -2.1220
334 A A -1.4655
335 P A -1.5724
336 T A -2.1866
337 D A -3.2860
338 E A -3.0803
339 C A -2.3933
340 K A -2.7302
341 P A -1.5670
342 V A 0.0000
343 K A -1.7868
344 W A 0.0000
345 C A 0.0000
346 A A 0.0000
347 L A 0.0000
348 S A 0.0000
349 H A -1.6262
350 H A -1.0824
351 E A -0.8280
352 R A -0.8561
353 L A -0.0548
354 K A -0.8052
355 C A 0.0000
356 D A -1.5690
357 E A -1.6014
358 W A 0.0000
359 S A -0.5904
360 V A 0.6777
361 N A 0.0300
362 S A 0.0000
363 V A 1.4726
364 G A -0.2370
365 K A -1.1624
366 I A 0.0000
367 E A -1.6490
368 C A -1.0072
369 V A -0.8246
370 S A -0.9512
371 A A 0.0000
372 E A -2.4897
373 T A -1.4910
374 T A 0.0000
375 E A -1.3138
376 D A -1.8761
377 C A 0.0000
378 I A 0.0000
379 A A -1.2081
380 K A -1.5351
381 I A 0.0000
382 M A -0.7768
383 N A -1.1361
384 G A -1.2709
385 E A -2.1585
386 A A 0.0000
387 D A 0.0000
388 A A 0.0000
389 M A 0.0000
390 S A -0.0259
391 L A 0.0000
392 D A 0.0000
393 G A 0.0000
394 G A 0.0000
395 F A 0.0000
396 V A 0.0000
397 Y A 0.0000
398 I A 0.0000
399 A A 0.0000
400 G A -0.4650
401 K A -0.7910
402 C A -0.4875
403 G A -0.8117
404 L A 0.0000
405 V A 0.0000
406 P A 0.0000
407 V A 0.0000
408 L A 0.0000
409 A A 0.0000
410 E A 0.0000
411 N A 0.0000
412 Y A -1.0149
413 N A -2.2991
414 K A -2.8750
415 S A -2.8450
416 D A -3.2635
417 N A -3.2139
418 C A 0.0000
419 E A -3.0640
420 D A -3.4553
421 T A -2.3100
422 P A -1.4542
423 E A -0.9208
424 A A -0.4346
425 G A -0.6176
426 Y A 0.0000
427 F A -0.3606
428 A A 0.0000
429 V A 0.0000
430 A A 0.0000
431 V A 0.0000
432 V A 0.0000
433 K A -1.8096
434 K A -2.9766
435 S A -1.6771
436 A A -1.4818
437 S A -1.7059
438 D A -2.2923
439 L A 0.0000
440 T A -1.6174
441 W A 0.0000
442 D A -2.9322
443 N A -2.9446
444 L A 0.0000
445 K A -2.8941
446 G A -2.0890
447 K A -1.7400
448 K A -1.6685
449 S A 0.0000
450 C A 0.0000
451 H A 0.0000
452 T A 0.0000
453 A A 0.0000
454 V A 0.0482
455 G A -0.0759
456 R A -0.1689
457 T A 0.0000
458 A A 0.0000
459 G A 0.0000
460 W A 0.1509
461 N A 0.0000
462 I A 0.0000
463 P A 0.0000
464 M A 0.0000
465 G A 0.0000
466 L A -0.2429
467 L A 0.0000
468 Y A -1.5294
469 N A -2.2213
470 K A -2.5753
471 I A -1.6634
472 N A -2.2405
473 H A -2.0987
474 C A -1.6530
475 R A -2.4639
476 F A 0.0000
477 D A -1.9707
478 E A -2.9381
479 F A 0.0000
480 F A 0.0000
481 S A -1.8399
482 E A -1.7783
483 G A 0.0000
484 C A 0.0000
485 A A 0.0000
486 P A 0.0000
487 G A -0.8970
488 S A -1.7543
489 K A -3.1739
490 K A -3.4389
491 D A -3.4391
492 S A -2.8325
493 S A -2.2590
494 L A 0.0000
495 C A 0.0000
496 K A -2.3668
497 L A 0.0000
498 C A 0.0000
499 M A -0.1471
500 G A -0.0865
501 S A -0.1566
502 G A 0.2080
503 L A 0.8717
504 N A 0.0301
505 L A -0.2764
506 C A 0.0000
507 E A -1.0442
508 P A -0.7679
509 N A 0.0000
510 N A -1.5490
511 K A -1.6521
512 E A 0.0000
513 G A -0.5572
514 Y A 0.0000
515 Y A -0.3724
516 G A -0.3473
517 Y A 0.0000
518 T A -0.4110
519 G A 0.0000
520 A A 0.0000
521 F A 0.0000
522 R A -0.6325
523 C A 0.0000
524 L A 0.0000
525 V A -0.6571
526 E A -1.4812
527 K A -1.3684
528 G A 0.0000
529 D A -0.8862
530 V A 0.0000
531 A A 0.0000
532 F A 0.0000
533 V A 0.0000
534 K A 0.0000
535 H A -0.6145
536 Q A -0.8194
537 T A 0.0000
538 V A 0.0000
539 P A -1.5266
540 Q A -1.2720
541 N A 0.0000
542 T A 0.0000
543 G A -2.5026
544 G A -2.7643
545 K A -2.7639
546 N A 0.0000
547 P A -2.3964
548 D A -2.3468
549 P A -1.4951
550 W A -1.1453
551 A A 0.0000
552 K A -3.2250
553 N A -2.8258
554 L A -2.2497
555 N A -2.8637
556 E A -2.7415
557 K A -3.3916
558 D A -3.0187
559 Y A 0.0000
560 E A 0.0000
561 L A 0.0000
562 L A 0.0000
563 C A 0.0000
564 L A -0.1579
565 D A -1.5727
566 G A -1.3353
567 T A -0.9389
568 R A -1.2413
569 K A -1.7427
570 P A -2.1114
571 V A 0.0000
572 E A -2.6686
573 E A -2.0657
574 Y A -1.2516
575 A A -1.0894
576 N A -1.6419
577 C A 0.0000
578 H A -0.5472
579 L A 0.0000
580 A A -0.6405
581 R A -1.4682
582 A A 0.0000
583 P A -0.5733
584 N A 0.0000
585 H A 0.0000
586 A A 0.0000
587 V A 0.0000
588 V A 0.0000
589 T A 0.0000
590 R A 0.0000
591 K A -2.8146
592 D A -2.7601
593 K A -2.1251
594 E A -1.9395
595 A A -1.2053
596 C A -1.3880
597 V A 0.0000
598 H A -1.6315
599 K A -1.8718
600 I A 0.0000
601 L A 0.0000
602 R A -2.8532
603 Q A -2.3497
604 Q A 0.0000
605 Q A 0.0000
606 H A -1.4653
607 L A -0.2059
608 F A -0.4302
609 G A 0.0000
610 S A -0.8554
611 N A -1.1858
612 V A -0.8605
613 T A -1.2656
614 D A -2.1341
615 C A -1.4206
616 S A -1.3619
617 G A -1.5073
618 N A -1.9292
619 F A 0.0000
620 C A 0.0000
621 L A 0.0000
622 F A 0.0000
623 R A -1.2942
624 S A -1.7322
625 E A -2.5250
626 T A -2.0576
627 K A -1.8745
628 D A -1.5242
629 L A 0.0000
630 L A 0.0000
631 F A 0.0000
632 R A 0.0000
633 D A -1.4940
634 D A -1.1029
635 T A 0.0000
636 V A -1.0431
637 C A 0.0000
638 L A 0.0000
639 A A 0.0000
640 K A -3.0967
641 L A -2.3904
642 H A -2.8094
643 D A -3.1484
644 R A -2.9937
645 N A -2.4143
646 T A -1.4831
647 Y A -1.2405
648 E A -2.5448
649 K A -2.5864
650 Y A 0.0000
651 L A 0.0000
652 G A -2.4134
653 E A -3.5393
654 E A -3.4971
655 Y A 0.0000
656 V A -2.1978
657 K A -3.0336
658 A A -1.7652
659 V A -0.9715
660 G A -1.6570
661 N A -1.6470
662 L A 0.0000
663 R A -2.2239
664 K A -2.2539
665 C A -1.3889
666 S A -1.1239
667 T A -0.8919
668 S A -0.7470
669 S A -1.0139
670 L A 0.0000
671 L A 0.0000
672 E A -1.8485
673 A A 0.0000
674 C A 0.0000
675 T A -0.8122
676 F A -0.5019
677 R A -0.5970
678 R A -1.0541
679 P A -0.7658
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Laboratory of Theory of Biopolymers 2018