Project name: 1ssss

Status: done

Started: 2026-03-30 08:59:08
Settings
Chain sequence(s) A: MFSMRIVCLVLSVVGTAWTADSGEGDFLAEGGGVRGPRVVERHQSACKDSDWPFCSDEDWNYKCPSGCRMKGLIDEVNQDFTNRINKLKNSLFEYQKNNKDSHSLTTNIMEILRGDFSSANNRDNTYNRVSEDLRSRIEVLKRKVIEKVQHIQLLQKNVRAQLVDMKRLEVDIDIKIRSCRGSCSRALAREVDLKDYEDQQKQLEQVIAKDLLPSRDRQHLPLIKMKPVPDLVPGNFKSQLQKVPPEWKALTDMPQMRMELERPGGNEITRGGSTSYGTGSETESPRNPSSAGSWNSGSSGPGSTGNRNPGSSGTGGTATWKPGSSGPGSTGSWNSGSSGTGSTGNQNPGSPRPGSTGTWNPGSSERGSAGHWTSESSVSGSTGQWHSESGSFRPDSPGSGNARPNNPDWGTFEEVSGNVSPGTRREYHTEKLVTSKGDKELRTGKEKVTSGSTTTTRRSCSKTVTKTVIGPDGHKEVTKEVVTSEDGSDCPEAMDLGTLSGIGTLDGFRHRHPDEAAFFDTASTGKTFPGFFSPMLGEFVSETESRGSESGIFTNTKESSSHHPGIAEFPSRGKSSSYSKQFTSSTSYNRGDSTFESKSYKMADEAGSEADHEGTHSTKRGHAKSRPVRDCDDVLQTHPSGTQSGIFNIKLPGSSKIFSVYCDQETSLGGWLLIQQRMDGSLNFNRTWQDYKRGFGSLNDEGEGEFWLGNDYLHLLTQRGSVLRVELEDWAGNEAYAEYHFRVGSEAEGYALQVSSYEGTAGDALIEGSVEEGAEYTSHNNMQFSTFDRDADQWEENCAEVYGGGWWYNNCQAANLNGIYYPGGSYDPRNNSPYEIENGVVWVSFRGADYSLRAVRMKIRPLVTQ
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                                          (00:10:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:40)
Show buried residues

Minimal score value
-4.4493
Maximal score value
4.3579
Average score
-1.0086
Total score value
-873.4614

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 1.8914
2 F A 2.3961
3 S A 1.5448
4 M A 1.6933
5 R A 0.6371
6 I A 2.4893
7 V A 2.9270
8 C A 2.8282
9 L A 3.7801
10 V A 4.3579
11 L A 4.1670
12 S A 3.0499
13 V A 3.7356
14 V A 3.5206
15 G A 1.6293
16 T A 1.2460
17 A A 1.2000
18 W A 1.0694
19 T A 0.0270
20 A A -0.5954
21 D A -2.0835
22 S A -1.7847
23 G A -2.2861
24 E A -2.7096
25 G A -1.6969
26 D A -1.3397
27 F A 1.1199
28 L A 1.4024
29 A A -0.1715
30 E A -1.7079
31 G A -1.0061
32 G A -1.1708
33 G A -0.7375
34 V A 0.3718
35 R A -1.6321
36 G A -1.2630
37 P A -0.8913
38 R A -1.1921
39 V A 0.8954
40 V A 0.6198
41 E A -2.0116
42 R A -2.8109
43 H A -2.8012
44 Q A -2.2792
45 S A -1.2098
46 A A -0.8304
47 C A -0.7467
48 K A -2.2725
49 D A -2.7469
50 S A -2.0181
51 D A -1.5544
52 W A 0.3916
53 P A 0.9367
54 F A 1.9491
55 C A 0.9437
56 S A -0.8456
57 D A -2.6615
58 E A -3.3891
59 D A -2.6309
60 W A -0.9092
61 N A -1.3846
62 Y A 0.0754
63 K A -0.8576
64 C A -0.0019
65 P A -0.5745
66 S A -1.0531
67 G A -1.0970
68 C A -0.7059
69 R A -1.8319
70 M A -0.7861
71 K A -1.6212
72 G A -1.3454
73 L A -0.2297
74 I A 0.1148
75 D A -2.0266
76 E A -2.3314
77 V A -0.8726
78 N A -2.0223
79 Q A -2.7003
80 D A -2.4889
81 F A -0.7388
82 T A -1.3046
83 N A -2.5131
84 R A -2.2715
85 I A 0.1230
86 N A -1.4499
87 K A -1.7401
88 L A 0.2585
89 K A -0.3791
90 N A -1.0858
91 S A 0.0242
92 L A 1.0930
93 F A 0.4379
94 E A -1.6639
95 Y A -0.8444
96 Q A -2.2774
97 K A -3.6010
98 N A -3.4749
99 N A -3.6578
100 K A -4.2193
101 D A -3.1446
102 S A -2.3586
103 H A -2.3117
104 S A -1.2401
105 L A 0.1362
106 T A -0.4652
107 T A -0.5555
108 N A -0.3373
109 I A 0.8706
110 M A 0.0000
111 E A -1.2697
112 I A 0.7173
113 L A 0.1353
114 R A -0.9845
115 G A -0.9727
116 D A -1.6441
117 F A -0.8838
118 S A -1.2141
119 S A -2.1156
120 A A -2.0905
121 N A -2.3523
122 N A -3.0055
123 R A -3.1336
124 D A -2.8009
125 N A -2.8333
126 T A -1.9733
127 Y A -1.0299
128 N A -2.0623
129 R A -2.4880
130 V A -0.5021
131 S A -1.0229
132 E A -2.3626
133 D A -1.7317
134 L A -0.1422
135 R A -0.6155
136 S A -0.7882
137 R A -0.5779
138 I A 0.2839
139 E A -0.6708
140 V A 0.3086
141 L A 0.3601
142 K A -1.2215
143 R A -2.3842
144 K A -2.3947
145 V A -1.0149
146 I A -1.0114
147 E A -3.2626
148 K A -2.8746
149 V A 0.0000
150 Q A -1.6233
151 H A -1.5715
152 I A -0.3128
153 Q A -0.6028
154 L A -0.1787
155 L A 0.5924
156 Q A -0.5713
157 K A -2.0728
158 N A -1.7826
159 V A -1.1324
160 R A -2.9241
161 A A -2.0640
162 Q A -2.5263
163 L A 0.0000
164 V A -1.5351
165 D A -2.3520
166 M A -1.2625
167 K A -1.9592
168 R A -2.0790
169 L A 0.1083
170 E A -0.6154
171 V A -0.1278
172 D A -0.3889
173 I A 0.1458
174 D A -0.6067
175 I A 0.7146
176 K A -1.2937
177 I A -1.0363
178 R A -1.9691
179 S A -1.1986
180 C A -1.5789
181 R A -2.5995
182 G A -1.6600
183 S A -1.2273
184 C A -1.2441
185 S A -1.6457
186 R A -1.7266
187 A A -0.4489
188 L A 0.5442
189 A A -0.5768
190 R A -2.2898
191 E A -2.6764
192 V A -2.1673
193 D A -3.2343
194 L A -2.0927
195 K A -3.6675
196 D A -4.0568
197 Y A -3.2014
198 E A -4.4091
199 D A -4.2213
200 Q A -4.1432
201 Q A -4.2368
202 K A -4.4493
203 Q A -3.4622
204 L A -2.7340
205 E A -3.5002
206 Q A -2.6601
207 V A -0.9907
208 I A -0.9750
209 A A -1.4367
210 K A -2.1673
211 D A -1.7566
212 L A -0.1136
213 L A 0.3448
214 P A -1.1289
215 S A -2.4385
216 R A -3.8128
217 D A -4.1698
218 R A -4.1399
219 Q A -3.7076
220 H A -2.7363
221 L A -0.8916
222 P A -1.1590
223 L A -0.7166
224 I A -0.4424
225 K A -1.4933
226 M A -1.3193
227 K A -1.8488
228 P A -1.4935
229 V A -1.3075
230 P A -1.1316
231 D A -1.7499
232 L A -0.3069
233 V A 0.0319
234 P A -0.4957
235 G A -1.1751
236 N A -1.1637
237 F A 0.1083
238 K A -1.5986
239 S A -1.6870
240 Q A -1.8832
241 L A -1.3852
242 Q A -2.4287
243 K A -2.7050
244 V A -1.4768
245 P A -1.2449
246 P A -1.6157
247 E A -1.8589
248 W A -1.4763
249 K A -2.5445
250 A A -1.4119
251 L A -0.5967
252 T A -1.3964
253 D A -2.1608
254 M A -1.0903
255 P A -1.5287
256 Q A -2.0014
257 M A -1.8573
258 R A -2.1811
259 M A -0.9264
260 E A -1.4502
261 L A -0.3799
262 E A -2.0616
263 R A -2.7627
264 P A -2.0471
265 G A -2.1903
266 G A -2.3575
267 N A -2.1719
268 E A -1.9655
269 I A -0.0092
270 T A -0.8712
271 R A -1.8024
272 G A -1.3640
273 G A -1.2204
274 S A -0.6238
275 T A -0.2176
276 S A 0.1607
277 Y A 0.9004
278 G A -0.0329
279 T A -0.2401
280 G A -1.0021
281 S A -1.4611
282 E A -2.4566
283 T A -2.0950
284 E A -2.4069
285 S A -1.6629
286 P A -1.9022
287 R A -2.6793
288 N A -2.3809
289 P A -1.3615
290 S A -0.6740
291 S A -0.4455
292 A A -0.3614
293 G A -0.4287
294 S A -0.2000
295 W A 0.3106
296 N A -1.0132
297 S A -0.8960
298 G A -0.9865
299 S A -0.7373
300 S A -0.7433
301 G A -0.9026
302 P A -0.8673
303 G A -0.8265
304 S A -0.7133
305 T A -0.8193
306 G A -1.6261
307 N A -2.7942
308 R A -3.3826
309 N A -2.8194
310 P A -1.5390
311 G A -0.9840
312 S A -0.6970
313 S A -0.6629
314 G A -0.7508
315 T A -0.6877
316 G A -0.8402
317 G A -0.7246
318 T A -0.3918
319 A A 0.1444
320 T A 0.1543
321 W A 0.2231
322 K A -1.3861
323 P A -1.2163
324 G A -0.9993
325 S A -0.6862
326 S A -0.6966
327 G A -0.8392
328 P A -0.7942
329 G A -0.8129
330 S A -0.6225
331 T A -0.5563
332 G A -0.3978
333 S A -0.1774
334 W A 0.3208
335 N A -0.9511
336 S A -0.9127
337 G A -1.0341
338 S A -0.6902
339 S A -0.6561
340 G A -0.7407
341 T A -0.6211
342 G A -0.7340
343 S A -0.6324
344 T A -0.7922
345 G A -1.3768
346 N A -2.3411
347 Q A -2.5903
348 N A -2.3472
349 P A -1.4873
350 G A -1.0286
351 S A -1.0409
352 P A -1.4207
353 R A -2.2556
354 P A -1.6108
355 G A -1.1008
356 S A -0.6168
357 T A -0.5065
358 G A -0.3583
359 T A -0.0228
360 W A 0.3073
361 N A -0.8381
362 P A -0.8775
363 G A -0.9961
364 S A -0.9962
365 S A -1.8149
366 E A -3.0355
367 R A -3.1090
368 G A -1.8353
369 S A -0.9529
370 A A -0.5948
371 G A -0.6998
372 H A -0.6467
373 W A 0.5306
374 T A -0.2313
375 S A -1.0209
376 E A -2.0995
377 S A -0.8532
378 S A 0.0921
379 V A 1.4084
380 S A 0.2749
381 G A -0.2894
382 S A -0.6198
383 T A -0.7774
384 G A -0.8630
385 Q A -1.0832
386 W A -0.0116
387 H A -1.1489
388 S A -1.4366
389 E A -2.3364
390 S A -1.4517
391 G A -0.7166
392 S A 0.0661
393 F A 0.5721
394 R A -1.4538
395 P A -1.5835
396 D A -2.2523
397 S A -1.3756
398 P A -1.0506
399 G A -0.8520
400 S A -1.0220
401 G A -1.2940
402 N A -1.9656
403 A A -1.7201
404 R A -2.7506
405 P A -2.3177
406 N A -2.6290
407 N A -2.6740
408 P A -2.0384
409 D A -1.7908
410 W A -0.1153
411 G A 0.1066
412 T A 0.3072
413 F A 0.5476
414 E A -1.4176
415 E A -1.5303
416 V A 0.1211
417 S A -0.2708
418 G A -0.4989
419 N A -0.5803
420 V A 0.7959
421 S A 0.0846
422 P A -0.5407
423 G A -1.1473
424 T A -2.0004
425 R A -3.2512
426 R A -3.4783
427 E A -2.9922
428 Y A -1.0930
429 H A -1.9428
430 T A -1.6941
431 E A -2.2048
432 K A -1.6914
433 L A 0.5300
434 V A 1.0908
435 T A 0.1341
436 S A -0.7239
437 K A -2.2710
438 G A -2.6165
439 D A -3.6772
440 K A -3.3797
441 E A -2.7854
442 L A -0.6453
443 R A -2.0976
444 T A -1.4017
445 G A -2.2984
446 K A -3.4582
447 E A -3.1864
448 K A -2.1847
449 V A 0.4477
450 T A 0.1332
451 S A -0.3155
452 G A -0.7138
453 S A -0.5557
454 T A -0.3804
455 T A -0.4664
456 T A -0.8816
457 T A -1.5160
458 R A -3.1114
459 R A -3.4975
460 S A -2.9437
461 C A -2.2995
462 S A -1.2306
463 K A -1.1532
464 T A -0.7486
465 V A -0.7586
466 T A -0.8611
467 K A -0.7154
468 T A 0.4000
469 V A 1.5287
470 I A 1.0432
471 G A -0.6549
472 P A -0.9842
473 D A -2.2537
474 G A -1.5229
475 H A -1.9554
476 K A -1.7470
477 E A -1.2032
478 V A 0.2356
479 T A -0.9928
480 K A -1.6705
481 E A -1.3804
482 V A 0.7697
483 V A 0.3400
484 T A -0.6538
485 S A -2.0971
486 E A -3.5766
487 D A -3.8358
488 G A 0.0000
489 S A -2.3377
490 D A -3.0348
491 C A -2.0535
492 P A -1.3901
493 E A -2.0634
494 A A -0.6599
495 M A -0.0116
496 D A -0.8880
497 L A 0.8807
498 G A 0.2066
499 T A 0.4799
500 L A 1.5846
501 S A 0.7250
502 G A 0.6550
503 I A 1.8308
504 G A 0.6018
505 T A 0.6444
506 L A 0.8112
507 D A -1.6418
508 G A -1.1109
509 F A -0.3909
510 R A -2.9309
511 H A -2.9377
512 R A -3.3414
513 H A -3.2130
514 P A -2.7801
515 D A -2.9670
516 E A -1.8684
517 A A -0.7309
518 A A 0.3214
519 F A 1.9163
520 F A 1.8685
521 D A -0.4390
522 T A -0.1122
523 A A -0.4034
524 S A -0.7859
525 T A -0.8429
526 G A -1.3635
527 K A -1.5912
528 T A -0.1435
529 F A 1.3357
530 P A 0.8374
531 G A 1.3423
532 F A 2.5088
533 F A 2.6019
534 S A 1.1860
535 P A 0.8510
536 M A 1.5318
537 L A 1.3150
538 G A 0.3834
539 E A -0.3024
540 F A 1.4985
541 V A 1.7033
542 S A -0.3421
543 E A -1.7212
544 T A -1.7994
545 E A -2.7471
546 S A -2.1744
547 R A -2.6026
548 G A -1.9634
549 S A -1.8526
550 E A -2.2449
551 S A -0.9496
552 G A 0.3576
553 I A 2.7137
554 F A 2.5737
555 T A 0.6077
556 N A -1.2862
557 T A -2.0003
558 K A -2.9925
559 E A -2.8696
560 S A -1.5381
561 S A -0.9551
562 S A -1.0299
563 H A -1.7055
564 H A -1.7568
565 P A -0.7287
566 G A 0.2902
567 I A 1.3876
568 A A 0.5377
569 E A -0.5187
570 F A 0.9142
571 P A -0.0542
572 S A -0.9241
573 R A -2.5897
574 G A -2.3257
575 K A -2.5077
576 S A -1.4291
577 S A -0.5218
578 S A 0.2077
579 Y A 0.6452
580 S A -0.7310
581 K A -1.6500
582 Q A -1.1401
583 F A 0.8782
584 T A 0.2481
585 S A 0.0704
586 S A -0.2160
587 T A -0.0341
588 S A -0.1693
589 Y A 0.1755
590 N A -1.9083
591 R A -2.9519
592 G A -2.6412
593 D A -2.5721
594 S A -0.9879
595 T A -0.1461
596 F A 0.5422
597 E A -1.5090
598 S A -1.6285
599 K A -2.3656
600 S A -1.5503
601 Y A -0.5372
602 K A -1.8118
603 M A -1.2046
604 A A -1.8317
605 D A -3.0374
606 E A -2.8720
607 A A -1.7167
608 G A -1.7351
609 S A -1.5064
610 E A -2.4014
611 A A -1.9810
612 D A -3.0115
613 H A -2.8521
614 E A -3.0224
615 G A -1.7905
616 T A -1.2037
617 H A -1.6245
618 S A -1.3055
619 T A -1.6751
620 K A -3.0463
621 R A -3.1861
622 G A -2.4798
623 H A -2.4033
624 A A -1.8857
625 K A -2.6185
626 S A -2.1217
627 R A -2.5938
628 P A -1.6738
629 V A -1.2078
630 R A -1.4265
631 D A 0.0000
632 C A 0.0000
633 D A 0.0000
634 D A -1.0146
635 V A 0.0000
636 L A -0.5165
637 Q A -1.3328
638 T A -1.1571
639 H A -1.1669
640 P A -0.8781
641 S A -0.9366
642 G A -1.3401
643 T A -1.3789
644 Q A -1.9067
645 S A -1.5504
646 G A 0.0000
647 I A -0.5348
648 F A -0.0830
649 N A -0.8992
650 I A 0.0000
651 K A -0.8881
652 L A 0.0000
653 P A -1.0047
654 G A -0.7029
655 S A -0.5582
656 S A -0.6098
657 K A -1.2192
658 I A 0.1645
659 F A 0.0000
660 S A -0.0207
661 V A 0.0000
662 Y A -0.6276
663 C A 0.0000
664 D A -0.6587
665 Q A 0.0000
666 E A -1.9036
667 T A -0.6038
668 S A 0.0433
669 L A 1.0589
670 G A 0.0000
671 G A 0.0000
672 W A 0.0000
673 L A 0.0000
674 L A 0.0000
675 I A 0.0000
676 Q A 0.0000
677 Q A 0.0000
678 R A 0.0000
679 M A -1.2077
680 D A -2.1153
681 G A -1.2770
682 S A -1.0215
683 L A -0.8350
684 N A -1.3532
685 F A 0.0000
686 N A -0.9641
687 R A -1.2058
688 T A -0.9479
689 W A 0.0000
690 Q A -1.7627
691 D A -1.5117
692 Y A 0.0000
693 K A -1.8494
694 R A -2.5873
695 G A -1.2882
696 F A -0.8096
697 G A -0.4180
698 S A -0.9297
699 L A 0.0000
700 N A -2.9348
701 D A -3.2206
702 E A -3.4846
703 G A -2.4986
704 E A -3.0924
705 G A -1.8543
706 E A 0.0000
707 F A 0.0000
708 W A 0.0000
709 L A 0.0000
710 G A 0.0000
711 N A 0.0000
712 D A -1.2789
713 Y A -0.4772
714 L A 0.0000
715 H A -0.9275
716 L A -0.4903
717 L A -0.8034
718 T A 0.0000
719 Q A -1.9244
720 R A -2.1560
721 G A -1.3901
722 S A 0.0000
723 V A 0.0873
724 L A 0.0000
725 R A 0.0000
726 V A 0.0000
727 E A -0.7522
728 L A 0.0000
729 E A -1.5572
730 D A 0.0000
731 W A -0.5180
732 A A -0.6451
733 G A -1.3788
734 N A -2.0131
735 E A -2.4015
736 A A 0.0000
737 Y A -0.7291
738 A A 0.0000
739 E A -0.9858
740 Y A 0.0000
741 H A -1.0655
742 F A 0.0000
743 R A -2.0429
744 V A 0.0000
745 G A 0.0000
746 S A -1.3073
747 E A -1.4904
748 A A -1.1279
749 E A -2.1082
750 G A 0.0000
751 Y A 0.0000
752 A A -1.5932
753 L A 0.0000
754 Q A -1.7230
755 V A 0.0000
756 S A -0.8299
757 S A -0.6912
758 Y A -1.0524
759 E A -1.9836
760 G A -1.0435
761 T A -0.8460
762 A A 0.0000
763 G A -0.6804
764 D A -0.9254
765 A A 0.0000
766 L A 0.0000
767 I A -0.9818
768 E A -1.6115
769 G A -1.0307
770 S A 0.0000
771 V A -0.1811
772 E A -1.8350
773 E A -2.2543
774 G A -1.4415
775 A A -1.2509
776 E A -1.6417
777 Y A -0.5052
778 T A 0.0000
779 S A -0.7590
780 H A 0.0000
781 N A -1.3223
782 N A -1.7719
783 M A -1.4120
784 Q A -1.7255
785 F A 0.0000
786 S A 0.0000
787 T A 0.0000
788 F A -1.0604
789 D A -1.4697
790 R A -2.2442
791 D A -2.7088
792 A A -1.4088
793 D A -1.9345
794 Q A -2.0170
795 W A -1.9609
796 E A -2.9000
797 E A -3.2311
798 N A -2.3987
799 C A 0.0000
800 A A 0.0000
801 E A -1.3972
802 V A -0.4709
803 Y A -0.0857
804 G A 0.0000
805 G A 0.0000
806 G A 0.0000
807 W A 0.0000
808 W A 0.0000
809 Y A 0.0000
810 N A 0.0000
811 N A -1.2116
812 C A 0.0000
813 Q A 0.0000
814 A A 0.0000
815 A A 0.0000
816 N A 0.0000
817 L A 0.0000
818 N A 0.0000
819 G A 0.0000
820 I A 0.1459
821 Y A -0.3271
822 Y A -0.3240
823 P A -0.7181
824 G A -0.5509
825 G A 0.0000
826 S A -0.8939
827 Y A -1.4574
828 D A -2.4784
829 P A -2.8106
830 R A -3.4523
831 N A -2.8903
832 N A -2.1556
833 S A -1.6391
834 P A -1.0460
835 Y A -1.1450
836 E A -2.8036
837 I A -1.5405
838 E A -1.4879
839 N A 0.0000
840 G A 0.0000
841 V A 0.0000
842 V A 0.0000
843 W A 0.0000
844 V A -0.1627
845 S A -0.0673
846 F A -0.3544
847 R A -0.6359
848 G A -0.9293
849 A A -1.0007
850 D A -2.0072
851 Y A -1.1075
852 S A 0.0000
853 L A 0.0000
854 R A -1.1638
855 A A 0.0000
856 V A 0.0000
857 R A -0.5384
858 M A 0.0000
859 K A 0.0000
860 I A 0.0000
861 R A 0.0834
862 P A 0.0395
863 L A 0.6193
864 V A 1.3841
865 T A 0.0739
866 Q A -0.7078
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Laboratory of Theory of Biopolymers 2018