Project name: 6wtt

Status: done

Started: 2026-06-01 14:00:23
Settings
Chain sequence(s) A: MTKEHAGLFTREGAQVPLQGVEVTGELLGGHARVRVRQRYRNDEPRPIEAVYTFPLPSDGTLSAFSMTCAGRRVEGIVKEREEAFRAYDDAVTAGHGAALLDEERSNVFTAQVGNLLPNEETIVEVEFLQAVTAEEGSVRWMLPTLVAPRYIPGKPAGDRTGHGSAEPTPRVPDADRISPPIGQVQYGLRMDLLVDLGREVIVESPSHAITVTRESGTRARVSFSRGEVSLDRDLVLSLRSSDTSAVFTPLATHRKGDKPGTFALTVVPDLLGMASAPPKQEVIFLVDVSGSMDGDSLPQAQAALRLCLRHLREGDRFNVIAFESSFHSFQPLPVPFTQRMLEEADRWVAALRAGGGTELLGPMQTAARTAPDGVLVLLTDGQVGNEDEILRAVLAERKSARVYSFGIGTNVSDALLRDMAKQTGGDVEFIHPGERIDDKVVAQFSRALAPRITELQVYFDGVEGAELAPGELPPMVDGMPWTLLGRYPTPGTGKVTLRGRSGREPFALTVRVDFPAESDRPAVEKLWAAERIKGWEAASLTGRRADSMKKRIVELAVEHQIVTRYTSFVVVEERTGDRRASGQPETRVVPVNAPAGWAMFGTQKHEEAEVAPVIQRPGARGRGGSAPVAAGPPSRQAPAHAVMASAGGPPPAANDENYALAA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:55)
Show buried residues

Minimal score value
-4.0973
Maximal score value
2.3195
Average score
-0.8369
Total score value
-554.8525

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 0.3201
2 T A -1.0312
3 K A -2.6202
4 E A -3.0368
5 H A -2.4128
6 A A -1.2989
7 G A -0.9171
8 L A -0.1319
9 F A -0.3029
10 T A -1.4560
11 R A -2.8862
12 E A -2.7579
13 G A -1.5601
14 A A -0.7053
15 Q A 0.0000
16 V A 0.0000
17 P A 0.0000
18 L A 0.0000
19 Q A -1.4606
20 G A -1.7511
21 V A 0.0000
22 E A -2.4934
23 V A 0.0000
24 T A -1.4912
25 G A -1.2433
26 E A -1.4999
27 L A 0.0000
28 L A -0.4908
29 G A -0.2565
30 G A -0.0256
31 H A 0.0000
32 A A 0.0000
33 R A -1.3917
34 V A 0.0000
35 R A -1.5149
36 V A 0.0000
37 R A -1.9022
38 Q A 0.0000
39 R A -2.6138
40 Y A 0.0000
41 R A -2.2693
42 N A 0.0000
43 D A -2.2041
44 E A -1.4409
45 P A -1.1104
46 R A -1.5081
47 P A -1.3123
48 I A 0.0000
49 E A -0.8240
50 A A 0.0000
51 V A 0.0000
52 Y A 0.0000
53 T A 0.0000
54 F A 0.0000
55 P A 0.0000
56 L A 0.0000
57 P A 0.0000
58 S A 0.0000
59 D A -0.8410
60 G A -0.4221
61 T A 0.0000
62 L A 0.0000
63 S A 0.0000
64 A A -0.2214
65 F A 0.0000
66 S A 0.0000
67 M A 0.0000
68 T A -1.9078
69 C A 0.0000
70 A A -1.2448
71 G A -1.7938
72 R A -2.7370
73 R A -2.8125
74 V A -1.8253
75 E A -1.6524
76 G A -0.2415
77 I A 1.1808
78 V A 0.0000
79 K A -1.0364
80 E A -2.0442
81 R A -2.3185
82 E A -3.1955
83 E A -3.5025
84 A A 0.0000
85 F A -2.4883
86 R A -3.8404
87 A A -2.5737
88 Y A 0.0000
89 D A -3.4816
90 D A -3.0798
91 A A 0.0000
92 V A 0.0000
93 T A -1.6330
94 A A -1.5217
95 G A 0.0000
96 H A -1.6017
97 G A 0.0000
98 A A 0.0000
99 A A 0.0000
100 L A 0.0000
101 L A 0.0000
102 D A 0.0000
103 E A -0.8973
104 E A -0.9259
105 R A -0.8795
106 S A -0.8347
107 N A 0.0000
108 V A 0.0000
109 F A 0.0000
110 T A -0.2505
111 A A 0.0000
112 Q A -0.2750
113 V A 0.0000
114 G A 0.0000
115 N A 0.0000
116 L A 0.0000
117 L A -1.2096
118 P A -1.5924
119 N A -2.3286
120 E A -1.7945
121 E A -2.4906
122 T A 0.0000
123 I A -1.3257
124 V A 0.0000
125 E A 0.0000
126 V A 0.0000
127 E A 0.0000
128 F A 0.0000
129 L A 0.0000
130 Q A 0.0000
131 A A -0.1669
132 V A 0.0000
133 T A -0.2014
134 A A -0.7125
135 E A -1.4279
136 E A -2.4830
137 G A -1.6909
138 S A -1.5070
139 V A 0.0000
140 R A -0.8792
141 W A 0.0000
142 M A 0.0194
143 L A 0.0000
144 P A -0.1309
145 T A 0.0000
146 L A 0.0000
147 V A 0.0000
148 A A 0.0000
149 P A 0.0792
150 R A 0.0459
151 Y A 0.2651
152 I A -0.3596
153 P A 0.0000
154 G A -1.5446
155 K A -2.3183
156 P A -1.9138
157 A A -1.7593
158 G A -2.2423
159 D A -3.0434
160 R A -3.0987
161 T A -1.8267
162 G A -1.6117
163 H A -1.4698
164 G A 0.0000
165 S A -0.7115
166 A A -1.1795
167 E A -2.7080
168 P A 0.0000
169 T A 0.0000
170 P A -1.1174
171 R A -1.2750
172 V A 0.0000
173 P A -1.4096
174 D A -1.4076
175 A A 0.0000
176 D A 0.0000
177 R A -1.2456
178 I A 0.0000
179 S A 0.0000
180 P A 0.0000
181 P A 0.1633
182 I A 0.5312
183 G A -0.9309
184 Q A -1.6181
185 V A 0.0000
186 Q A -1.4310
187 Y A 0.0000
188 G A 0.0000
189 L A 0.0000
190 R A -2.9244
191 M A 0.0000
192 D A -1.6364
193 L A 0.0000
194 L A 0.0000
195 V A 0.0000
196 D A -1.5281
197 L A -0.8444
198 G A -1.1526
199 R A -1.9939
200 E A -2.6199
201 V A 0.0000
202 I A 0.3781
203 V A 0.0000
204 E A -0.8789
205 S A -0.6157
206 P A -0.3223
207 S A 0.0000
208 H A -0.2690
209 A A -0.1236
210 I A -0.2031
211 T A -0.5067
212 V A -0.1920
213 T A -1.3667
214 R A -3.0914
215 E A -2.7588
216 S A -1.7015
217 G A -1.9204
218 T A -2.2858
219 R A -2.9107
220 A A 0.0000
221 R A -1.9110
222 V A 0.0000
223 S A -1.0474
224 F A 0.0000
225 S A -1.0988
226 R A -2.4465
227 G A -2.0559
228 E A -2.1309
229 V A 0.0000
230 S A -0.8788
231 L A 0.0000
232 D A -0.6457
233 R A -0.7725
234 D A 0.0000
235 L A 0.0000
236 V A 0.0000
237 L A 0.0000
238 S A -0.7266
239 L A 0.0000
240 R A -1.9500
241 S A -1.5817
242 S A -1.4046
243 D A -1.9435
244 T A -1.1739
245 S A -0.2381
246 A A 0.6559
247 V A 2.2887
248 F A 1.6395
249 T A 0.7209
250 P A 0.5697
251 L A -0.2600
252 A A -0.3508
253 T A 0.0000
254 H A 0.0000
255 R A 0.0000
256 K A -3.7765
257 G A -3.0544
258 D A -3.4760
259 K A -3.2122
260 P A -1.7765
261 G A 0.0000
262 T A 0.0000
263 F A 0.0000
264 A A 0.0315
265 L A 0.0000
266 T A 0.6826
267 V A 0.0000
268 V A 1.5176
269 P A 0.0000
270 D A -1.1241
271 L A 0.0000
272 L A 0.7694
273 G A 0.0772
274 M A -0.0189
275 A A 0.4166
276 S A -0.0969
277 A A -0.3201
278 P A -0.6414
279 P A -1.3428
280 K A -2.8724
281 Q A -2.4597
282 E A -2.4380
283 V A 0.0000
284 I A 0.0000
285 F A 0.0000
286 L A 0.0000
287 V A 0.0000
288 D A 0.0000
289 V A 0.0000
290 S A 0.0000
291 G A -0.8311
292 S A -0.5546
293 M A 0.0000
294 D A -2.0640
295 G A -1.8154
296 D A -2.4824
297 S A -1.4643
298 L A 0.0000
299 P A -1.2652
300 Q A 0.0000
301 A A 0.0000
302 Q A -0.3972
303 A A -0.4578
304 A A 0.0000
305 L A 0.0000
306 R A -1.2932
307 L A -0.7428
308 C A 0.0000
309 L A 0.0000
310 R A -1.7301
311 H A -1.0520
312 L A 0.0000
313 R A -2.3145
314 E A -2.9109
315 G A -2.4204
316 D A 0.0000
317 R A -2.1911
318 F A 0.0000
319 N A 0.0000
320 V A 0.0000
321 I A 0.0000
322 A A 0.0000
323 F A 0.0000
324 E A -0.6798
325 S A -0.6532
326 S A -0.3382
327 F A 0.2214
328 H A -0.4043
329 S A -0.0563
330 F A -0.1106
331 Q A -0.0285
332 P A 0.2419
333 L A 1.1588
334 P A 0.0201
335 V A 0.0000
336 P A -1.1048
337 F A -1.7422
338 T A -2.0029
339 Q A -2.7385
340 R A -2.9140
341 M A -1.9420
342 L A -2.2239
343 E A -2.9149
344 E A -2.6996
345 A A 0.0000
346 D A -2.1630
347 R A -2.4730
348 W A -1.1033
349 V A 0.0000
350 A A -1.0050
351 A A -0.8091
352 L A 0.0000
353 R A -2.1447
354 A A -1.6421
355 G A -1.1318
356 G A -1.0613
357 G A -0.5862
358 T A 0.0000
359 E A -0.4369
360 L A 0.0000
361 L A -0.4072
362 G A -0.2237
363 P A 0.0000
364 M A 0.0000
365 Q A -1.1337
366 T A -0.8284
367 A A 0.0000
368 A A 0.0000
369 R A -2.6116
370 T A -1.2019
371 A A 0.0000
372 P A -2.5620
373 D A -2.9813
374 G A 0.0000
375 V A 0.0000
376 L A 0.0000
377 V A 0.0000
378 L A 0.0000
379 L A 0.0000
380 T A 0.0000
381 D A 0.0000
382 G A 0.0000
383 Q A 0.0000
384 V A 0.0000
385 G A 0.0000
386 N A 0.0000
387 E A -1.3386
388 D A -2.2113
389 E A -1.8434
390 I A 0.0000
391 L A -1.4548
392 R A -2.2214
393 A A -1.2336
394 V A 0.0000
395 L A -0.7517
396 A A -0.9753
397 E A -1.6511
398 R A -2.1981
399 K A -2.7847
400 S A -1.9058
401 A A 0.0000
402 R A -1.2466
403 V A 0.0000
404 Y A 0.0000
405 S A 0.0000
406 F A 0.0000
407 G A 0.0000
408 I A 0.0000
409 G A 0.0000
410 T A -0.5249
411 N A 0.0000
412 V A 0.0000
413 S A 0.0000
414 D A 0.0000
415 A A -0.5235
416 L A 0.0000
417 L A 0.0000
418 R A -1.4100
419 D A -1.9212
420 M A 0.0000
421 A A 0.0000
422 K A -2.4246
423 Q A -1.5036
424 T A 0.0000
425 G A -1.0999
426 G A -1.0001
427 D A -1.0161
428 V A -0.3682
429 E A -0.0945
430 F A 0.1065
431 I A 0.0000
432 H A 0.0000
433 P A -1.0240
434 G A -1.2279
435 E A -1.7797
436 R A -2.9457
437 I A -1.8903
438 D A -2.5387
439 D A -2.5837
440 K A -1.3622
441 V A 0.0000
442 V A 0.3597
443 A A -0.1549
444 Q A 0.0000
445 F A 0.5534
446 S A 0.2994
447 R A 0.0000
448 A A 0.0000
449 L A 0.2317
450 A A 0.2102
451 P A -0.1850
452 R A -0.5096
453 I A 0.0000
454 T A -1.7187
455 E A -2.8216
456 L A 0.0000
457 Q A -1.8864
458 V A -0.0703
459 Y A -0.2331
460 F A -0.8296
461 D A -2.4293
462 G A -1.7149
463 V A -1.7607
464 E A -2.0329
465 G A -1.0415
466 A A -0.8280
467 E A -0.9802
468 L A -0.5573
469 A A 0.0000
470 P A -1.0695
471 G A -1.5166
472 E A -2.2598
473 L A -1.2725
474 P A -1.1312
475 P A -1.0076
476 M A 0.0000
477 V A -0.1184
478 D A -0.2836
479 G A -0.5025
480 M A -0.0881
481 P A 0.5954
482 W A 0.0000
483 T A 0.2279
484 L A 0.0000
485 L A 0.0000
486 G A 0.0000
487 R A -0.9569
488 Y A 0.0000
489 P A -1.1644
490 T A -0.9998
491 P A -1.0222
492 G A -1.0238
493 T A -1.8662
494 G A 0.0000
495 K A -2.4068
496 V A 0.0000
497 T A -0.6651
498 L A 0.0000
499 R A -1.7461
500 G A -2.4401
501 R A -2.9045
502 S A -2.0408
503 G A -2.3078
504 R A -3.0029
505 E A -2.6618
506 P A -1.8858
507 F A -1.2590
508 A A -0.4778
509 L A 0.1882
510 T A -0.5612
511 V A -0.8229
512 R A -2.6549
513 V A 0.0000
514 D A -2.3308
515 F A 0.0000
516 P A -1.2227
517 A A -1.9570
518 E A -3.1127
519 S A -2.3975
520 D A -2.8425
521 R A -1.9470
522 P A -1.2507
523 A A 0.0000
524 V A 0.0000
525 E A -0.5865
526 K A -0.7680
527 L A -0.2502
528 W A 0.0000
529 A A 0.0000
530 A A 0.0000
531 E A -0.8156
532 R A -0.8471
533 I A 0.0000
534 K A -1.0523
535 G A -1.0134
536 W A -0.5737
537 E A -0.7446
538 A A -0.5288
539 A A -0.0367
540 S A -0.4739
541 L A -0.9297
542 T A -1.3955
543 G A -2.3304
544 R A -3.6314
545 R A -3.6304
546 A A -2.9244
547 D A -3.8929
548 S A -3.1351
549 M A -2.5579
550 K A -3.0722
551 K A -3.2839
552 R A -2.7209
553 I A 0.0000
554 V A 0.0000
555 E A -2.1796
556 L A -1.4106
557 A A 0.0000
558 V A -0.6958
559 E A -1.9026
560 H A -1.1136
561 Q A -0.4848
562 I A 0.0000
563 V A 0.0000
564 T A 0.0000
565 R A -1.7351
566 Y A -1.2674
567 T A 0.0000
568 S A 0.0000
569 F A 0.0000
570 V A 0.0000
571 V A 0.0000
572 V A -0.1891
573 E A 0.0000
574 E A -1.9768
575 R A 0.0000
576 T A -1.7555
577 G A -1.9561
578 D A -2.7834
579 R A -2.5052
580 R A -2.8206
581 A A -1.7476
582 S A -1.4313
583 G A -1.5530
584 Q A -2.1030
585 P A -1.6302
586 E A -1.9278
587 T A -1.0887
588 R A -0.5940
589 V A -0.0873
590 V A 0.0000
591 P A 0.0000
592 V A 0.0000
593 N A -0.6141
594 A A -0.0446
595 P A 0.0000
596 A A 0.0000
597 G A -1.6381
598 W A 0.0000
599 A A -0.5116
600 M A 0.9544
601 F A 0.9759
602 G A -0.3663
603 T A -1.1111
604 Q A -2.6457
605 K A -3.7807
606 H A -3.5662
607 E A -4.0973
608 E A -3.4950
609 A A -1.8679
610 E A -1.7360
611 V A 0.8030
612 A A 0.9992
613 P A 1.3158
614 V A 2.3195
615 I A 1.6869
616 Q A -0.7694
617 R A -1.8846
618 P A -1.6244
619 G A -1.7703
620 A A -1.4863
621 R A -2.6045
622 G A -2.3894
623 R A -2.8090
624 G A -1.7679
625 G A -1.1584
626 S A -0.5632
627 A A 0.1080
628 P A 0.6215
629 V A 1.6995
630 A A 0.7896
631 A A 0.1783
632 G A -0.6008
633 P A -0.6460
634 P A -0.9441
635 S A -1.5350
636 R A -2.6244
637 Q A -2.2559
638 A A -1.0405
639 P A -0.6615
640 A A -0.5325
641 H A -0.5732
642 A A 0.6383
643 V A 2.1056
644 M A 1.9239
645 A A 0.8745
646 S A -0.0307
647 A A -0.3664
648 G A -0.7596
649 G A -0.8540
650 P A -0.7733
651 P A -0.6205
652 P A -0.4152
653 A A -0.4109
654 A A -1.0017
655 N A -2.5761
656 D A -3.5919
657 E A -3.3278
658 N A -1.6452
659 Y A 0.6146
660 A A 1.1938
661 L A 1.7908
662 A A 0.8726
663 A A 0.4135
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Laboratory of Theory of Biopolymers 2018