Project name: Gentax_704_ED

Status: done

Started: 2026-07-18 13:34:46
Settings
Chain sequence(s) A: MSRVSVMTVKTSDTCSSRRRSQLVCKRMPGADKPVRARQRVLAGVGAGLTMRHQSRLYECTICGVKYRTDAGENTASGAIRHSGCATVGKGDRCGPLRYYASWRKGDVLQGDVGRQGFPSHDVVKRRPVNSSSVPRECIICSPSSLLAVTWTAAGARSLTADYDEEELQLELKEVLPSELQMLQESELMEAFSSSWSWRSCVWRACREAGGIHEQDEQEKLLEEVVSLHEEEQEMEAFEELLLELEKLEKLELSVRSGCSSRWRPSRRRIRACSRKSWCRYARRTLSSRQRSRSCRKLSVSVLQAELQVKELELQEEVNSPWRRKCKSRRNCCRWRCASRGEAAAGGGGGSGGRGVGAAGGGGGAAGIAGGGGSEGCTRSWRRQSCSCWRRLAGSGSCEVARLRGCEVEMVPTGLECAAGRRRPHEVAVEAGVNRIPGPSTAEACMQAWRNHGHSCFLCEIVIRSQFHTTYEPEASVKPGVPNEANSHLRCAHCPLSSRETCRASCINESANARGEAVCVLGALPLPRSLTRCARSFGCGERYQLTQRRYGYPQNQGITQERTCEQKASKRPGTVKRPRCWRFSIGSAPLTSITKIDAQVRGGETRQDYKDTRRFPLEAPSCALLFRPCRLPDTCPPFSLREAWRFLIAHAVGISVRCRSFAPSWAVCTNPPFSPTAAPYPVTIVLSPTRDTTYRHWQQPLVTG
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:28)
Show buried residues

Minimal score value
-4.7386
Maximal score value
3.6882
Average score
-0.7684
Total score value
-540.9776

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 0.7337
2 S A -0.2553
3 R A -0.6843
4 V A 1.4156
5 S A 1.2171
6 V A 2.6197
7 M A 2.2731
8 T A 1.2607
9 V A 1.3470
10 K A -1.0360
11 T A -1.0738
12 S A -1.3842
13 D A -1.9970
14 T A -0.7076
15 C A -0.0773
16 S A -0.6687
17 S A -1.7494
18 R A -3.3106
19 R A -3.9345
20 R A -3.4646
21 S A -1.6754
22 Q A -0.6327
23 L A 1.5426
24 V A 1.8204
25 C A 0.7543
26 K A -1.3381
27 R A -1.9192
28 M A -0.3926
29 P A -0.8937
30 G A -1.2282
31 A A -1.4558
32 D A -2.8154
33 K A -2.5712
34 P A -1.0656
35 V A 0.1514
36 R A -1.7089
37 A A -1.9143
38 R A -2.8671
39 Q A -2.7578
40 R A -1.6678
41 V A 1.1385
42 L A 1.9215
43 A A 1.3774
44 G A 0.7106
45 V A 1.3239
46 G A 0.2718
47 A A 0.2914
48 G A 0.3208
49 L A 1.3558
50 T A 0.3827
51 M A 0.0720
52 R A -2.0007
53 H A -2.4481
54 Q A -2.4957
55 S A -1.5442
56 R A -1.6277
57 L A 0.6819
58 Y A 0.8481
59 E A -0.4151
60 C A 1.1121
61 T A 1.0492
62 I A 2.3987
63 C A 1.7149
64 G A 1.0509
65 V A 1.3366
66 K A -0.7908
67 Y A -0.2432
68 R A -2.0086
69 T A -1.6868
70 D A -2.5469
71 A A -1.8817
72 G A -2.2140
73 E A -2.9467
74 N A -2.2998
75 T A -1.1768
76 A A -0.4537
77 S A -0.4227
78 G A -0.2328
79 A A 0.2005
80 I A 0.7940
81 R A -1.4239
82 H A -1.6642
83 S A -1.2070
84 G A -0.4110
85 C A 0.6581
86 A A 0.6963
87 T A 0.6644
88 V A 1.2546
89 G A -0.5428
90 K A -2.1763
91 G A -2.7036
92 D A -3.1384
93 R A -2.5826
94 C A -0.6611
95 G A -0.3943
96 P A 0.1019
97 L A 0.9795
98 R A -0.2461
99 Y A 1.4184
100 Y A 1.7554
101 A A 0.8553
102 S A 0.2054
103 W A -0.0873
104 R A -2.4417
105 K A -2.9559
106 G A -1.9742
107 D A -1.4109
108 V A 1.1700
109 L A 0.9886
110 Q A -0.6639
111 G A -0.9768
112 D A -1.5565
113 V A -0.1778
114 G A -1.2787
115 R A -2.3083
116 Q A -1.8832
117 G A -0.6423
118 F A 0.9701
119 P A 0.3025
120 S A -0.5335
121 H A -1.2671
122 D A -1.1982
123 V A 0.8241
124 V A 0.5871
125 K A -1.9646
126 R A -2.7799
127 R A -2.8789
128 P A -1.2065
129 V A 0.3725
130 N A -0.8076
131 S A -0.6044
132 S A -0.1563
133 S A 0.2233
134 V A 0.7015
135 P A -0.8013
136 R A -1.9005
137 E A -1.2807
138 C A 0.9558
139 I A 2.6637
140 I A 3.1008
141 C A 2.2168
142 S A 0.9902
143 P A 0.3335
144 S A 0.4931
145 S A 0.9443
146 L A 2.0180
147 L A 1.6697
148 A A 1.7896
149 V A 2.5813
150 T A 2.0280
151 W A 1.8437
152 T A 0.8245
153 A A 0.5014
154 A A 0.0496
155 G A -0.5250
156 A A -0.7762
157 R A -1.7364
158 S A -0.4290
159 L A 0.9898
160 T A 0.2452
161 A A -0.3694
162 D A -1.8521
163 Y A -1.3472
164 D A -3.4756
165 E A -3.7849
166 E A -3.6179
167 E A -3.1412
168 L A -1.6906
169 Q A -2.1317
170 L A -1.2964
171 E A -1.9978
172 L A -0.4092
173 K A -1.8549
174 E A -1.6106
175 V A 0.5102
176 L A -0.0990
177 P A -0.7517
178 S A -1.3432
179 E A -1.7348
180 L A -0.8742
181 Q A -1.5211
182 M A -0.1996
183 L A -0.7759
184 Q A -2.0003
185 E A -2.6196
186 S A -1.9139
187 E A -2.3868
188 L A -0.6809
189 M A -0.1737
190 E A -1.4863
191 A A 0.0215
192 F A 1.6157
193 S A 0.5062
194 S A 0.2649
195 S A 0.4967
196 W A 1.0108
197 S A 0.8098
198 W A 0.8112
199 R A -0.2653
200 S A 0.0537
201 C A 0.1932
202 V A -0.0245
203 W A -0.5936
204 R A -2.1271
205 A A -1.2925
206 C A -1.9936
207 R A -2.8160
208 E A -3.0660
209 A A -1.8548
210 G A -1.4524
211 G A -1.1153
212 I A -0.1296
213 H A -2.0504
214 E A -3.7316
215 Q A -3.7127
216 D A -4.4844
217 E A -4.7386
218 Q A -4.1067
219 E A -4.6433
220 K A -4.6072
221 L A -2.4044
222 L A -2.1911
223 E A -3.3179
224 E A -2.7340
225 V A -1.0462
226 V A -1.6043
227 S A -1.7088
228 L A -1.4093
229 H A -2.8427
230 E A -3.6996
231 E A -3.4277
232 E A -4.0168
233 Q A -4.1755
234 E A -3.9712
235 M A -3.2789
236 E A -4.1865
237 A A -2.7835
238 F A 0.0000
239 E A -3.2129
240 E A -3.1862
241 L A -2.1741
242 L A -1.9201
243 L A -1.5344
244 E A -3.2937
245 L A 0.0000
246 E A -3.7978
247 K A -3.6800
248 L A -2.9811
249 E A -3.5924
250 K A -3.4355
251 L A -1.5636
252 E A -1.9228
253 L A -0.8621
254 S A -0.7793
255 V A -0.6975
256 R A -1.5326
257 S A -0.8010
258 G A -0.6565
259 C A -0.3599
260 S A -0.7005
261 S A -0.9748
262 R A -1.7597
263 W A -0.6247
264 R A -2.2922
265 P A -2.2160
266 S A -2.0277
267 R A -3.2291
268 R A -3.4216
269 R A -2.4623
270 I A -0.3792
271 R A -1.8795
272 A A -1.5112
273 C A -0.4886
274 S A -0.7657
275 R A -1.4240
276 K A -2.2054
277 S A -1.3548
278 W A -1.0231
279 C A -1.6367
280 R A -2.7149
281 Y A -1.0696
282 A A 0.0000
283 R A -2.8929
284 R A -2.7575
285 T A 0.0000
286 L A 0.0000
287 S A -1.9682
288 S A -2.4286
289 R A -3.0259
290 Q A -2.8690
291 R A -2.6212
292 S A -2.2819
293 R A -2.8998
294 S A -1.3638
295 C A -0.7195
296 R A -1.5108
297 K A -1.4859
298 L A 0.5202
299 S A 0.0000
300 V A -0.2867
301 S A -0.0492
302 V A 0.2883
303 L A 0.0000
304 Q A -0.8184
305 A A -0.5991
306 E A -0.6486
307 L A -1.2583
308 Q A -1.0234
309 V A -0.3811
310 K A -1.6155
311 E A -1.9505
312 L A -1.1471
313 E A -1.9893
314 L A -1.7970
315 Q A -2.4716
316 E A -3.2658
317 E A -2.4405
318 V A -0.6903
319 N A -2.1496
320 S A -1.6736
321 P A -1.1426
322 W A -0.3967
323 R A -1.7359
324 R A -2.4726
325 K A -2.9100
326 C A -2.6898
327 K A -3.5084
328 S A -3.3318
329 R A -4.1246
330 R A -4.1587
331 N A -3.4502
332 C A -2.0989
333 C A -1.9277
334 R A -2.4824
335 W A -1.2002
336 R A -2.2973
337 C A -1.1213
338 A A -1.2215
339 S A -1.8645
340 R A -2.6922
341 G A -2.3468
342 E A -2.5487
343 A A -1.3751
344 A A -0.8337
345 A A -0.5576
346 G A -0.7504
347 G A -1.0246
348 G A -1.1492
349 G A -1.1353
350 G A -1.0757
351 S A -0.8852
352 G A -1.3730
353 G A -1.6744
354 R A -1.9972
355 G A -0.6968
356 V A 0.8491
357 G A 0.3348
358 A A 0.1002
359 A A -0.3533
360 G A -0.7720
361 G A -1.0434
362 G A -1.1609
363 G A -1.0434
364 G A -0.7683
365 A A -0.3553
366 A A 0.1884
367 G A 0.6135
368 I A 1.7189
369 A A 0.6505
370 G A -0.3539
371 G A -1.0436
372 G A -1.2848
373 G A -1.4363
374 S A -1.5547
375 E A -2.1841
376 G A -1.3599
377 C A -0.4548
378 T A -0.8363
379 R A -1.7326
380 S A -1.1385
381 W A -0.8648
382 R A -2.7328
383 R A -3.0901
384 Q A -2.3465
385 S A -1.1183
386 C A 0.3164
387 S A 0.5851
388 C A 1.0297
389 W A 0.2501
390 R A -1.6837
391 R A -1.7693
392 L A 0.1367
393 A A -0.0833
394 G A -0.4504
395 S A -0.5654
396 G A -0.7913
397 S A -0.3682
398 C A -0.0109
399 E A -0.8800
400 V A 0.6900
401 A A -0.1612
402 R A -1.3145
403 L A -0.0539
404 R A -1.8974
405 G A -1.0721
406 C A -0.3151
407 E A -1.2846
408 V A 0.6258
409 E A -0.4070
410 M A 1.1499
411 V A 1.8207
412 P A 0.6706
413 T A 0.3334
414 G A 0.0030
415 L A 0.5327
416 E A -0.7914
417 C A 0.1132
418 A A -0.1515
419 A A -0.5483
420 G A -1.9084
421 R A -3.3872
422 R A -3.8459
423 R A -3.5787
424 P A -2.3750
425 H A -2.0961
426 E A -1.4793
427 V A 1.0232
428 A A 1.1004
429 V A 1.2674
430 E A -0.9916
431 A A -0.3454
432 G A -0.3996
433 V A 0.6953
434 N A -0.8719
435 R A -1.2528
436 I A 0.6893
437 P A -0.2914
438 G A -0.7301
439 P A -0.9184
440 S A -0.9956
441 T A -0.8330
442 A A -0.9931
443 E A -1.9902
444 A A -1.1437
445 C A -0.5497
446 M A -1.0466
447 Q A -2.1530
448 A A -1.2831
449 W A -1.2158
450 R A -2.8388
451 N A -2.8032
452 H A -2.5200
453 G A -2.0056
454 H A -1.3938
455 S A -0.1416
456 C A 1.6137
457 F A 2.8279
458 L A 3.0594
459 C A 1.6632
460 E A 0.3437
461 I A 1.3080
462 V A 1.7628
463 I A 0.2700
464 R A -1.2943
465 S A -0.6296
466 Q A -0.5487
467 F A 0.6618
468 H A -0.5919
469 T A -0.1662
470 T A 0.0460
471 Y A 0.1471
472 E A -1.7526
473 P A -1.6532
474 E A -2.0399
475 A A -0.9505
476 S A -0.1930
477 V A 0.5514
478 K A -1.1302
479 P A -0.5334
480 G A -0.0804
481 V A 1.0976
482 P A -0.5924
483 N A -2.1060
484 E A -2.8247
485 A A -2.0121
486 N A -1.9569
487 S A -1.4965
488 H A -1.2480
489 L A -0.2723
490 R A -1.5695
491 C A -0.7923
492 A A -0.5813
493 H A -0.8954
494 C A -0.3670
495 P A -0.0837
496 L A 0.8039
497 S A -0.5735
498 S A -1.6688
499 R A -3.1062
500 E A -3.2762
501 T A -2.0790
502 C A -1.6167
503 R A -2.4306
504 A A -1.3708
505 S A -1.0562
506 C A -0.7583
507 I A 0.2151
508 N A -1.7173
509 E A -2.5461
510 S A -1.6334
511 A A -1.9405
512 N A -3.0287
513 A A -2.8309
514 R A -2.9703
515 G A -2.1942
516 E A -2.1068
517 A A -0.1401
518 V A 1.8797
519 C A 2.3990
520 V A 3.2139
521 L A 2.8444
522 G A 1.2057
523 A A 1.2568
524 L A 1.9316
525 P A 0.8472
526 L A 1.4429
527 P A -0.0674
528 R A -1.5647
529 S A -0.5181
530 L A 0.6857
531 T A -0.7014
532 R A -1.7363
533 C A -0.4289
534 A A -0.5048
535 R A -1.7281
536 S A -0.2367
537 F A 1.3021
538 G A 0.0677
539 C A -0.0314
540 G A -1.1110
541 E A -2.7091
542 R A -2.1582
543 Y A -0.4874
544 Q A -1.1561
545 L A 0.2248
546 T A -1.0221
547 Q A -2.1252
548 R A -2.9697
549 R A -2.4762
550 Y A -0.1650
551 G A 0.0856
552 Y A 0.8330
553 P A -0.7344
554 Q A -1.9404
555 N A -2.4517
556 Q A -1.9586
557 G A -0.4951
558 I A 0.8644
559 T A -0.5958
560 Q A -2.1601
561 E A -3.0549
562 R A -3.1207
563 T A -1.5925
564 C A -1.0794
565 E A -2.6710
566 Q A -2.8365
567 K A -3.0445
568 A A -2.0816
569 S A -2.2027
570 K A -3.0612
571 R A -2.9623
572 P A -1.6887
573 G A -0.9175
574 T A -0.3737
575 V A 0.2847
576 K A -2.0062
577 R A -2.8240
578 P A -2.0194
579 R A -2.0550
580 C A -0.1190
581 W A 0.7593
582 R A -0.0036
583 F A 1.7378
584 S A 1.2356
585 I A 1.8512
586 G A 0.6018
587 S A 0.1979
588 A A 0.2781
589 P A 0.4117
590 L A 1.5437
591 T A 1.0218
592 S A 0.8656
593 I A 1.8585
594 T A 0.4286
595 K A -0.6217
596 I A 0.5144
597 D A -1.2023
598 A A -0.8401
599 Q A -1.1330
600 V A -0.0463
601 R A -1.5332
602 G A -1.6873
603 G A -2.2342
604 E A -2.7665
605 T A -2.5889
606 R A -3.0102
607 Q A -2.6850
608 D A -2.1951
609 Y A -1.1160
610 K A -2.6989
611 D A -3.1362
612 T A -2.2668
613 R A -3.1076
614 R A -2.0132
615 F A 0.4211
616 P A 0.1212
617 L A 0.8562
618 E A -0.9199
619 A A -0.3640
620 P A -0.2253
621 S A 0.1447
622 C A 1.7350
623 A A 1.7904
624 L A 2.6901
625 L A 2.9355
626 F A 2.4192
627 R A -0.2478
628 P A -0.1350
629 C A -0.0664
630 R A -1.3887
631 L A 0.3239
632 P A -0.6861
633 D A -1.6786
634 T A -0.5355
635 C A 0.4495
636 P A 0.0477
637 P A 0.5002
638 F A 1.0651
639 S A 0.3322
640 L A 0.5529
641 R A -1.3355
642 E A -0.5888
643 A A 0.8060
644 W A 0.9151
645 R A -0.1693
646 F A 1.8893
647 L A 2.7666
648 I A 3.0857
649 A A 2.0571
650 H A 1.7017
651 A A 2.1764
652 V A 2.9146
653 G A 1.8255
654 I A 2.0843
655 S A 1.1325
656 V A 1.0133
657 R A -0.2771
658 C A 0.5351
659 R A -0.9089
660 S A -0.1842
661 F A 1.2775
662 A A 0.9199
663 P A 0.8970
664 S A 1.1928
665 W A 1.7961
666 A A 1.6082
667 V A 2.2836
668 C A 1.4245
669 T A 0.1332
670 N A -0.8116
671 P A -0.3680
672 P A 0.1415
673 F A 1.3998
674 S A 0.4988
675 P A 0.0577
676 T A 0.0523
677 A A 0.0947
678 A A 0.2164
679 P A 0.5542
680 Y A 1.5582
681 P A 1.3871
682 V A 2.7023
683 T A 2.5374
684 I A 3.6882
685 V A 3.5818
686 L A 2.7810
687 S A 0.9308
688 P A -0.4102
689 T A -1.4270
690 R A -2.8658
691 D A -2.6470
692 T A -1.3207
693 T A -0.5096
694 Y A 0.0944
695 R A -1.4510
696 H A -1.4497
697 W A -0.4085
698 Q A -1.3182
699 Q A -1.1441
700 P A 0.1854
701 L A 1.7382
702 V A 2.1340
703 T A 0.9509
704 G A 0.1675
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Laboratory of Theory of Biopolymers 2018