Project name: SAPPB

Status: done

Started: 2025-07-26 16:54:09
Settings
Chain sequence(s) A: MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKM
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                                          (00:10:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:30)
Show buried residues

Minimal score value
-4.6168
Maximal score value
3.6379
Average score
-1.1108
Total score value
-745.3521

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 1.7428
2 L A 1.8422
3 P A 0.8288
4 G A 0.7395
5 L A 1.7941
6 A A 1.9285
7 L A 2.9662
8 L A 3.6379
9 L A 3.5406
10 L A 2.7656
11 A A 1.4049
12 A A 0.9580
13 W A 1.2044
14 T A 0.1968
15 A A -0.6384
16 R A -1.7108
17 A A -0.2770
18 L A 0.7643
19 E A -0.4839
20 V A 0.9862
21 P A -0.2127
22 T A -1.1113
23 D A -2.2526
24 G A -2.0843
25 N A -1.9749
26 A A -0.9977
27 G A -0.4171
28 L A 0.0698
29 L A 0.8554
30 A A -0.3136
31 E A -0.6394
32 P A 0.0000
33 Q A -0.4051
34 I A 0.0000
35 A A 0.0000
36 M A 0.7716
37 F A 1.3908
38 C A 0.9324
39 G A -0.3074
40 R A -0.8055
41 L A 0.0000
42 N A 0.0000
43 M A 0.0000
44 H A -0.6290
45 M A -1.2600
46 N A -1.4460
47 V A 0.0000
48 Q A -1.5364
49 N A -1.7653
50 G A -1.5805
51 K A -2.4530
52 W A -1.6394
53 D A -1.7088
54 S A -1.1355
55 D A 0.0000
56 P A -0.8602
57 S A -0.7910
58 G A -1.6498
59 T A -1.2828
60 K A -1.0705
61 T A -0.6006
62 C A 0.1859
63 I A -0.7189
64 D A -2.0123
65 T A -1.7124
66 K A -1.7752
67 E A -2.4292
68 G A -1.8563
69 I A 0.0000
70 L A -1.4569
71 Q A -2.3773
72 Y A 0.0000
73 C A 0.0000
74 Q A -2.4232
75 E A -2.5303
76 V A -1.4037
77 Y A 0.0000
78 P A -1.9751
79 E A -2.4017
80 L A -1.7502
81 Q A -1.8825
82 I A 0.0000
83 T A -0.6430
84 N A 0.0000
85 V A 0.0000
86 V A 0.0000
87 E A -0.2792
88 A A -0.6377
89 N A -1.1585
90 Q A -1.3674
91 P A -0.0779
92 V A 0.3108
93 T A 0.5473
94 I A 0.0000
95 Q A -2.1737
96 N A -2.8188
97 W A 0.0000
98 C A 0.0000
99 K A -3.3288
100 R A -3.4206
101 G A -3.0253
102 R A -4.0637
103 K A -3.8092
104 Q A -3.2872
105 C A -3.0027
106 K A -2.6314
107 T A -1.9029
108 H A -1.5882
109 P A -1.2755
110 H A 0.0000
111 F A 1.4917
112 V A 0.0000
113 I A 0.8203
114 P A 0.0000
115 Y A -0.0268
116 R A -0.3141
117 C A 0.0000
118 L A 0.0576
119 V A -0.3830
120 G A -0.9943
121 E A -1.2963
122 F A 0.5080
123 V A 1.5277
124 S A 0.5612
125 D A -0.0415
126 A A 0.5153
127 L A 0.9764
128 L A 1.8468
129 V A 0.8311
130 P A -0.6845
131 D A -2.4838
132 K A -2.7771
133 C A -1.6112
134 K A -1.6784
135 F A 0.2510
136 L A -0.4034
137 H A -1.2044
138 Q A -1.6972
139 E A -1.8986
140 R A -1.9091
141 M A -0.5142
142 D A -1.6558
143 V A -0.9085
144 C A -0.6227
145 E A -0.7516
146 T A -0.3813
147 H A 0.0000
148 L A 0.4798
149 H A -0.2868
150 W A 0.0000
151 H A -0.6438
152 T A -0.8989
153 V A -0.8942
154 A A 0.0000
155 K A -3.0626
156 E A -3.4365
157 T A -2.5812
158 C A 0.0000
159 S A -2.9674
160 E A -3.6502
161 K A -3.0746
162 S A -2.0426
163 T A -1.9501
164 N A -2.1256
165 L A -1.6418
166 H A -0.9460
167 D A -0.5640
168 Y A 0.0000
169 G A 0.0000
170 M A 0.0000
171 L A 0.0438
172 L A 0.8869
173 P A 0.4109
174 C A 0.2485
175 G A -0.3192
176 I A -0.2715
177 D A 0.0000
178 K A -0.5370
179 F A 0.0000
180 R A -0.9768
181 G A 0.0000
182 V A 0.0000
183 E A -0.7597
184 F A 0.0000
185 V A 0.0000
186 C A 0.0000
187 C A -1.3076
188 P A -1.2983
189 L A -0.2904
190 A A -1.1609
191 E A -2.7391
192 E A -3.2626
193 S A -2.8117
194 D A -3.0209
195 N A -1.9449
196 V A -0.2355
197 D A -1.4786
198 S A -1.2180
199 A A -1.3452
200 D A -2.4810
201 A A -2.0813
202 E A -3.5461
203 E A -4.2167
204 D A -4.2020
205 D A -3.4589
206 S A -1.8735
207 D A -1.6580
208 V A 0.9877
209 W A 0.7951
210 W A 0.5907
211 G A -0.3340
212 G A -0.6983
213 A A -1.1490
214 D A -2.2218
215 T A -1.4541
216 D A -2.1033
217 Y A -0.3798
218 A A -1.0627
219 D A -2.3922
220 G A -2.3161
221 S A -2.6081
222 E A -3.5968
223 D A -2.9630
224 K A -2.1739
225 V A 0.7899
226 V A 1.5412
227 E A -0.0064
228 V A 1.1063
229 A A -0.9474
230 E A -2.8328
231 E A -3.9626
232 E A -3.6001
233 E A -2.2104
234 V A 0.1676
235 A A -0.1258
236 E A -0.9534
237 V A -0.4451
238 E A -2.5147
239 E A -3.6615
240 E A -4.0752
241 E A -3.3979
242 A A -2.4570
243 D A -3.3860
244 D A -4.0087
245 D A -4.4098
246 E A -4.2778
247 D A -4.2370
248 D A -4.2413
249 E A -4.0064
250 D A -3.6692
251 G A -3.0084
252 D A -2.9406
253 E A -2.3288
254 V A -0.7223
255 E A -2.6625
256 E A -3.3716
257 E A -3.6191
258 A A -2.5167
259 E A -3.0872
260 E A -2.5561
261 P A -1.2863
262 Y A -0.4224
263 E A -2.1319
264 E A -2.4393
265 A A -1.9303
266 T A -1.7398
267 E A -2.8252
268 R A -2.8497
269 T A -1.5360
270 T A -0.3899
271 S A 0.7307
272 I A 1.9056
273 A A 0.9343
274 T A 0.3610
275 T A -0.1537
276 T A -0.1660
277 T A -0.1908
278 T A -0.1962
279 T A -0.6082
280 T A -1.1684
281 E A -2.3267
282 S A -1.4066
283 V A -0.4965
284 E A -2.7798
285 E A -3.2258
286 V A -1.3766
287 V A -1.6688
288 R A -3.2179
289 E A -3.4245
290 V A 0.0000
291 C A 0.0000
292 S A -1.6761
293 E A -2.3019
294 Q A -1.9317
295 A A -1.3476
296 E A -1.6535
297 T A -0.5367
298 G A -0.8701
299 P A -0.8639
300 C A -0.7800
301 R A -1.2874
302 A A 0.0346
303 M A 1.3096
304 I A 1.0408
305 S A 0.4504
306 R A -0.4671
307 W A -0.6607
308 Y A -0.7973
309 F A 0.0000
310 D A -1.0881
311 V A -0.1987
312 T A -0.8173
313 E A -2.1421
314 G A -1.4076
315 K A -1.9077
316 C A 0.0000
317 A A -0.8158
318 P A -0.3121
319 F A 0.7941
320 F A 1.4969
321 Y A 0.5373
322 G A 0.0000
323 G A -0.1783
324 C A -0.4799
325 G A -0.9566
326 G A -1.4760
327 N A -1.9643
328 R A -2.7339
329 N A 0.0000
330 N A -1.4938
331 F A 0.0000
332 D A -2.1609
333 T A -1.7635
334 E A -2.2659
335 E A -1.9444
336 Y A -0.2989
337 C A 0.0000
338 M A -0.4423
339 A A 0.0303
340 V A 0.1706
341 C A 0.0000
342 G A -0.2818
343 S A -0.3497
344 A A -0.9231
345 M A 0.0614
346 S A -0.0333
347 Q A -0.5058
348 S A 0.1352
349 L A 1.4367
350 L A 1.1236
351 K A -0.9525
352 T A -0.6452
353 T A -1.1703
354 Q A -2.4048
355 E A -2.3018
356 P A -0.8265
357 L A 0.5055
358 A A -0.5700
359 R A -2.2023
360 D A -2.5443
361 P A -0.9138
362 V A 0.4973
363 K A -0.4434
364 L A 1.0043
365 P A 0.1847
366 T A -0.0951
367 T A 0.0361
368 A A -0.0683
369 A A -0.1050
370 S A -0.3549
371 T A -0.7064
372 P A -1.5213
373 D A -1.7180
374 A A -2.1922
375 V A 0.0000
376 D A -2.4367
377 K A -2.8708
378 Y A 0.0000
379 L A -1.2044
380 E A -2.4635
381 T A -1.6040
382 P A -1.5676
383 G A -1.8574
384 D A -2.4959
385 E A -3.0495
386 N A -2.7537
387 E A 0.0000
388 H A -1.9428
389 A A -1.5893
390 H A -1.9727
391 F A 0.0000
392 Q A -2.1022
393 K A -2.5359
394 A A 0.0000
395 K A -2.6479
396 E A -3.5723
397 R A -3.6839
398 L A 0.0000
399 E A -3.1592
400 A A -2.9500
401 K A -2.8772
402 H A -3.2107
403 R A -3.6792
404 E A -3.6260
405 R A -2.6803
406 M A -2.3524
407 S A -2.3963
408 Q A -2.5494
409 V A 0.0000
410 M A -1.6210
411 R A -3.2655
412 E A -2.8708
413 W A -2.7811
414 E A -4.1961
415 E A -4.3898
416 A A -3.2448
417 E A -3.9977
418 R A -4.6168
419 Q A -3.7428
420 A A 0.0000
421 K A -3.6747
422 N A -2.8591
423 L A -1.9210
424 P A -2.0435
425 K A -2.9548
426 A A -1.9572
427 D A -2.6682
428 K A -3.0506
429 K A -2.9778
430 A A -2.0355
431 V A -1.5889
432 I A -1.7429
433 Q A -2.8021
434 H A -2.6957
435 F A 0.0000
436 Q A -2.7308
437 E A -3.6302
438 K A -2.7431
439 V A -2.6852
440 E A -3.8721
441 S A -2.8865
442 L A -2.6120
443 E A -3.3414
444 Q A -3.3989
445 E A -2.9700
446 A A -2.7735
447 A A -2.5959
448 N A -3.0571
449 E A -2.7960
450 R A -2.8364
451 Q A -2.5444
452 Q A -2.1835
453 L A 0.0000
454 V A -1.3714
455 E A -1.9694
456 T A -0.9986
457 H A -0.9125
458 M A -0.8027
459 A A -0.9216
460 R A -1.2178
461 V A 0.0000
462 E A -2.2519
463 A A -1.6710
464 M A -2.1558
465 L A 0.0000
466 N A -2.3316
467 D A -2.8987
468 R A -2.8440
469 R A -2.3115
470 R A -2.1711
471 L A -0.6629
472 A A 0.0000
473 L A -0.9076
474 E A -1.0315
475 N A -0.9010
476 Y A 0.0000
477 I A 0.0917
478 T A -0.3936
479 A A 0.0000
480 L A 0.0000
481 Q A -0.9856
482 A A -0.1230
483 V A 1.0176
484 P A 0.1196
485 P A -1.0041
486 R A -2.5055
487 P A -2.7371
488 R A -3.2813
489 H A -2.4035
490 V A 0.0000
491 F A 0.0000
492 N A -2.0424
493 M A -1.4043
494 L A 0.0000
495 K A -1.9932
496 K A -2.2253
497 Y A 0.0000
498 V A 0.0000
499 R A -1.9969
500 A A -1.8937
501 E A 0.0000
502 Q A 0.0000
503 K A -1.4671
504 D A 0.0000
505 R A 0.0000
506 Q A -1.0226
507 H A -1.5462
508 T A -1.2315
509 L A 0.0000
510 K A -1.9020
511 H A -1.4282
512 F A 0.0000
513 E A -1.1782
514 H A -0.3449
515 V A 0.0000
516 R A -0.6115
517 M A 1.1663
518 V A 1.3679
519 D A -0.5148
520 P A -1.3075
521 K A -2.5627
522 K A -2.3925
523 A A 0.0000
524 A A -1.7615
525 Q A -2.2677
526 I A -1.4815
527 R A -1.3971
528 S A -1.1773
529 Q A -1.7485
530 V A 0.0000
531 M A -0.8306
532 T A -1.1143
533 H A -1.1936
534 L A 0.0000
535 R A -2.1923
536 V A -1.2545
537 I A 0.0000
538 Y A -1.5676
539 E A -2.8348
540 R A -1.9749
541 M A -1.5180
542 N A -2.2453
543 Q A -2.1794
544 S A 0.0000
545 L A -0.5524
546 S A -0.3206
547 L A 0.1878
548 L A 0.0000
549 Y A 0.6329
550 N A -0.6009
551 V A -0.3869
552 P A -0.7249
553 A A -1.0407
554 V A 0.0000
555 A A -1.6140
556 E A -2.9548
557 E A -3.6184
558 I A 0.0000
559 Q A -3.1918
560 D A -3.8937
561 E A -3.7728
562 V A 0.0000
563 D A -2.4626
564 E A -3.5165
565 L A 0.0000
566 L A -2.0275
567 Q A -2.2512
568 K A -2.2646
569 E A 0.0000
570 Q A -2.0699
571 N A -2.1148
572 Y A -0.4905
573 S A 0.0000
574 D A -1.8959
575 D A -2.1798
576 V A -0.9830
577 L A -0.3801
578 A A -0.7700
579 N A -1.3496
580 M A 0.0000
581 I A 1.1130
582 S A -0.4347
583 E A -1.1083
584 P A -0.9358
585 R A -1.1377
586 I A 1.1216
587 S A 0.5128
588 Y A 0.7313
589 G A -0.8222
590 N A -1.5940
591 D A -1.7248
592 A A -0.1689
593 L A 1.2463
594 M A 1.3593
595 P A 0.8823
596 S A 0.8235
597 L A 1.0943
598 T A -0.2718
599 E A -1.9729
600 T A -1.8350
601 K A -2.2103
602 T A -0.8970
603 T A -0.0528
604 V A 1.0340
605 E A 0.2291
606 L A 1.7504
607 L A 2.1584
608 P A 1.5150
609 V A 1.0442
610 N A -1.0032
611 G A -1.2313
612 E A -1.2929
613 F A 1.0670
614 S A 0.6866
615 L A 0.8416
616 D A -1.6951
617 D A -2.0048
618 L A -0.4208
619 Q A -0.8650
620 P A -0.2501
621 W A 0.3016
622 H A -0.1829
623 S A 0.3166
624 F A 1.4211
625 G A 0.0828
626 A A -0.6728
627 D A -1.6189
628 S A -0.3041
629 V A 1.2045
630 P A 0.3172
631 A A -0.3439
632 N A -1.7309
633 T A -1.9198
634 E A -3.1600
635 N A -2.8463
636 E A -2.4600
637 V A -0.2916
638 E A -1.1086
639 P A -0.3768
640 V A 0.4159
641 D A -1.3322
642 A A -1.5037
643 R A -2.2980
644 P A -1.0853
645 A A -0.8001
646 A A -1.3796
647 D A -2.7254
648 R A -2.6019
649 G A -0.9701
650 L A 0.8767
651 T A 0.1877
652 T A -0.8944
653 R A -2.1053
654 P A -1.4045
655 G A -1.1512
656 S A -0.4288
657 G A 0.1511
658 L A 0.9137
659 T A 0.4693
660 N A -0.3882
661 I A 0.5418
662 K A -1.4828
663 T A -1.7985
664 E A -2.6966
665 E A -1.8008
666 I A 0.4671
667 S A -0.2965
668 E A -0.9861
669 V A 0.4812
670 K A -0.8290
671 M A 0.4530
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Laboratory of Theory of Biopolymers 2018