Project name: Jaskiran Kaur

Status: done

Started: 2026-01-14 09:43:17
Settings
Chain sequence(s) A: MGGWKGPGQRRGKEGPEARRRAAERGGGGGGGGVPAPRSPAREPRPRSCLLLPPPWGAAMTPDLLNFKKGWMSILDEPGEPPSPSLTTTSTSQWKKHWFVLTDSSLKYYRDSTAEEADELDGEIDLRSCTDVTEYAVQRNYGFQIHTKDAVYTLSAMTSGIRRNWIEALRKTVRPTSAPDVTKLSDSNKENALHSYSTQKGPLKAGEQRAGSEVISRGGPRKADGQRQALDYVELSPLTQASPQRARTPARTPDRLAKQEELERDLAQRSEERRKWFEATDSRTPEVPAGEGPRRGLGAPLTEDQQNRLSEEIEKKWQELEKLPLRENKRVPLTALLNQSRGERRGPPSDGHEALEKEVQALRAQLEAWRLQGEAPQSALRSQEDGHIPPGYISQEACERSLAEMESSHQQVMEELQRHHERELQRLQQEKEWLLAEETAATASAIEAMKKAYQEELSRELSKTRSLQQGPDGLRKQHQSDVEALKRELQVLSEQYSQKCLEIGALMRQAEEREHTLRRCQQEGQELLRHNQELHGRLSEEIDQLRGFIASQGMGNGCGRSNERSSCELEVLLRVKENELQYLKKEVQCLRDELQMMQKDKRFTSGKYQDVYVELSHIKTRSEREIEQLKEHLRLAMAALQEKESMRNSLAE
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                                          (00:21:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:41)
Show buried residues

Minimal score value
-4.8295
Maximal score value
3.0976
Average score
-1.6017
Total score value
-1044.3205

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 0.6767
2 G A 0.1739
3 G A -0.2762
4 W A -0.0982
5 K A -1.5792
6 G A -1.3644
7 P A -1.4900
8 G A -1.9232
9 Q A -2.8377
10 R A -3.5456
11 R A -3.5988
12 G A -2.9854
13 K A -3.4231
14 E A -3.1346
15 G A -2.1781
16 P A -1.6915
17 E A -2.4053
18 A A -2.2406
19 R A -3.4448
20 R A -3.6901
21 R A -3.1841
22 A A -1.5447
23 A A -1.5208
24 E A -2.8562
25 R A -3.1426
26 G A -2.2442
27 G A -1.4316
28 G A -1.1524
29 G A -1.1513
30 G A -1.1555
31 G A -1.1499
32 G A -0.7029
33 G A 0.0005
34 V A 1.3381
35 P A 0.5934
36 A A -0.1944
37 P A -1.2415
38 R A -2.1116
39 S A -1.2762
40 P A -1.1362
41 A A -1.4506
42 R A -2.7884
43 E A -3.2753
44 P A -2.6544
45 R A -2.9712
46 P A -2.2406
47 R A -2.3504
48 S A -0.4586
49 C A 1.4381
50 L A 2.9456
51 L A 3.0976
52 L A 2.5406
53 P A 1.0112
54 P A 0.2869
55 P A 0.1937
56 W A 0.7668
57 G A 0.1669
58 A A 0.3514
59 A A 0.5934
60 M A 0.6654
61 T A 0.0004
62 P A -0.2549
63 D A -0.3547
64 L A 1.5099
65 L A 1.7507
66 N A 0.2936
67 F A 1.2617
68 K A -0.3019
69 K A -1.0300
70 G A -0.4030
71 W A -0.2059
72 M A 0.0000
73 S A 0.0000
74 I A 0.0000
75 L A -1.4417
76 D A -2.6338
77 E A -2.8707
78 P A -2.2603
79 G A -2.1896
80 E A -2.5326
81 P A -1.4401
82 P A -1.0794
83 S A -0.6013
84 P A -0.2572
85 S A 0.2914
86 L A 1.3140
87 T A 0.5262
88 T A 0.1269
89 T A -0.2764
90 S A -0.9819
91 T A -1.0205
92 S A -1.7313
93 Q A -2.2307
94 W A -1.7847
95 K A -2.3617
96 K A -2.2724
97 H A 0.0000
98 W A -1.0911
99 F A 0.0000
100 V A 0.0000
101 L A 0.0000
102 T A -0.6313
103 D A -1.7407
104 S A -1.7194
105 S A -1.7185
106 L A 0.0000
107 K A -1.4380
108 Y A -1.7033
109 Y A 0.0000
110 R A -3.0255
111 D A -2.4080
112 S A -1.5986
113 T A -1.9460
114 A A -2.6481
115 E A -2.7794
116 E A -2.9875
117 A A -2.2467
118 D A -3.1670
119 E A -3.1869
120 L A -1.7308
121 D A -2.3572
122 G A -1.6259
123 E A -2.0861
124 I A 0.0000
125 D A -2.4156
126 L A 0.0000
127 R A -2.8113
128 S A -2.2774
129 C A 0.0000
130 T A -1.8018
131 D A -2.0552
132 V A 0.0000
133 T A -1.4858
134 E A -1.6839
135 Y A 0.0318
136 A A -0.2931
137 V A -0.7259
138 Q A -1.7410
139 R A -1.8042
140 N A -1.5324
141 Y A -0.4815
142 G A 0.0000
143 F A 0.0000
144 Q A -0.3864
145 I A 0.0000
146 H A -0.9637
147 T A -1.9646
148 K A -2.9591
149 D A -2.5360
150 A A -1.0114
151 V A 0.0107
152 Y A 0.0732
153 T A 0.0000
154 L A 0.0000
155 S A 0.0000
156 A A 0.0000
157 M A 0.1677
158 T A -0.1766
159 S A -0.7990
160 G A -1.0351
161 I A -0.3250
162 R A -1.7083
163 R A -3.0446
164 N A -2.7144
165 W A 0.0000
166 I A 0.0000
167 E A -3.0611
168 A A -2.0891
169 L A 0.0000
170 R A -3.5729
171 K A -3.5904
172 T A -2.8493
173 V A 0.0000
174 R A -3.3545
175 P A -1.8758
176 T A -1.1782
177 S A -0.9438
178 A A -0.4487
179 P A -0.8393
180 D A -1.2485
181 V A 0.6507
182 T A -0.2643
183 K A -1.1365
184 L A 0.3365
185 S A -0.7536
186 D A -2.3096
187 S A -1.9819
188 N A -3.0300
189 K A -3.7154
190 E A -3.5468
191 N A -2.2730
192 A A -0.7688
193 L A 0.9126
194 H A -0.1896
195 S A 0.3437
196 Y A 1.0316
197 S A 0.0299
198 T A -0.8483
199 Q A -2.2069
200 K A -2.6175
201 G A -1.5506
202 P A -0.4157
203 L A 0.5196
204 K A -1.0657
205 A A -1.1327
206 G A -2.0458
207 E A -3.0679
208 Q A -3.2074
209 R A -2.9660
210 A A -1.3661
211 G A -1.3420
212 S A -0.9935
213 E A -0.6481
214 V A 1.6272
215 I A 2.0083
216 S A 0.2721
217 R A -1.9065
218 G A -1.8309
219 G A -1.5640
220 P A -1.7886
221 R A -2.9520
222 K A -3.0890
223 A A -2.2300
224 D A -2.5723
225 G A -2.2971
226 Q A -2.8971
227 R A -2.9259
228 Q A -2.1081
229 A A -0.6719
230 L A 0.6783
231 D A -0.3315
232 Y A 1.2552
233 V A 1.6834
234 E A -0.1599
235 L A 0.9315
236 S A 0.4809
237 P A 0.4276
238 L A 1.0402
239 T A 0.0238
240 Q A -0.9122
241 A A -0.6486
242 S A -1.1288
243 P A -1.4466
244 Q A -2.2568
245 R A -2.8925
246 A A -2.0784
247 R A -2.3207
248 T A -1.0617
249 P A -1.0648
250 A A -0.9959
251 R A -2.6277
252 T A -1.6651
253 P A -1.7175
254 D A -2.9177
255 R A -3.1767
256 L A -1.3445
257 A A -2.2953
258 K A -3.7206
259 Q A -3.5018
260 E A -3.5505
261 E A -3.6942
262 L A -2.0798
263 E A -3.2256
264 R A -3.9891
265 D A -3.2851
266 L A -1.2053
267 A A -2.2142
268 Q A -3.2453
269 R A -3.0842
270 S A -2.7371
271 E A -3.7144
272 E A -2.9542
273 R A -2.9288
274 R A -3.6133
275 K A -3.0901
276 W A -0.8380
277 F A -0.3999
278 E A -2.5955
279 A A -1.8406
280 T A -1.3279
281 D A -2.4215
282 S A -2.0870
283 R A -2.9289
284 T A -1.6026
285 P A -1.2339
286 E A -1.3701
287 V A 0.7121
288 P A 0.0561
289 A A -0.4887
290 G A -1.4858
291 E A -2.3168
292 G A -2.2008
293 P A -2.2493
294 R A -3.0824
295 R A -2.7625
296 G A -1.2032
297 L A 0.6556
298 G A 0.0133
299 A A 0.2493
300 P A -0.2207
301 L A -0.7117
302 T A -2.0636
303 E A -3.6789
304 D A -4.0580
305 Q A -3.5291
306 Q A -3.8795
307 N A -4.2835
308 R A -4.4605
309 L A -2.5556
310 S A -3.0467
311 E A -4.2852
312 E A -3.8072
313 I A -1.9023
314 E A -3.5360
315 K A -4.1621
316 K A -3.2535
317 W A -2.0319
318 Q A -3.3455
319 E A -3.1988
320 L A -1.3597
321 E A -2.4864
322 K A -2.2186
323 L A -0.0622
324 P A -0.1532
325 L A -0.1310
326 R A -2.4481
327 E A -3.6895
328 N A -3.5162
329 K A -3.4894
330 R A -2.3025
331 V A 0.4888
332 P A 0.8013
333 L A 2.2222
334 T A 1.5274
335 A A 1.3976
336 L A 2.0026
337 L A 1.3477
338 N A -1.1158
339 Q A -1.6612
340 S A -2.0504
341 R A -3.1593
342 G A -3.0190
343 E A -3.9336
344 R A -4.1296
345 R A -3.4691
346 G A -2.1895
347 P A -1.4358
348 P A -1.4721
349 S A -2.0183
350 D A -2.8104
351 G A -2.2998
352 H A -2.8764
353 E A -3.6735
354 A A -2.3909
355 L A -1.5196
356 E A -3.2486
357 K A -3.3247
358 E A -2.4842
359 V A -0.9573
360 Q A -2.1798
361 A A -1.1510
362 L A -0.1651
363 R A -1.7527
364 A A -0.9566
365 Q A -0.9291
366 L A -0.5779
367 E A -1.9036
368 A A -0.7523
369 W A -0.4161
370 R A -1.9817
371 L A -0.5389
372 Q A -1.5229
373 G A -1.7671
374 E A -2.4097
375 A A -1.4061
376 P A -1.4158
377 Q A -1.4245
378 S A -0.6789
379 A A -0.0376
380 L A 0.4308
381 R A -1.7866
382 S A -1.7529
383 Q A -3.1564
384 E A -3.8096
385 D A -3.1582
386 G A -1.9067
387 H A -0.9239
388 I A 1.6000
389 P A 0.8602
390 P A 0.4668
391 G A 0.7642
392 Y A 2.2285
393 I A 2.2576
394 S A 0.0434
395 Q A -2.0924
396 E A -3.1157
397 A A -1.7282
398 C A -1.6895
399 E A -3.4877
400 R A -3.6866
401 S A -2.2062
402 L A -1.4045
403 A A -2.2019
404 E A -3.0008
405 M A -2.1099
406 E A -2.9668
407 S A -2.2796
408 S A -1.9685
409 H A -2.4402
410 Q A -2.5938
411 Q A -2.1133
412 V A -0.5946
413 M A -0.4866
414 E A -2.2713
415 E A -2.3394
416 L A -0.9939
417 Q A -2.7302
418 R A -3.9629
419 H A -3.7307
420 H A -3.8050
421 E A -4.3604
422 R A -4.5393
423 E A -3.5680
424 L A -2.0922
425 Q A -3.5809
426 R A -3.9056
427 L A -2.0191
428 Q A -2.9917
429 Q A -3.3795
430 E A -2.9024
431 K A -3.0040
432 E A -2.9057
433 W A -1.4347
434 L A -0.9015
435 L A -0.6731
436 A A -1.0482
437 E A -1.9669
438 E A -2.0311
439 T A -0.9431
440 A A -0.7476
441 A A -0.9157
442 T A -0.6331
443 A A -0.0624
444 S A -0.3772
445 A A 0.0344
446 I A 0.2953
447 E A -1.1187
448 A A -0.6882
449 M A -0.1904
450 K A -2.3192
451 K A -2.8484
452 A A -1.6341
453 Y A -1.3508
454 Q A -2.9580
455 E A -3.5915
456 E A -3.6739
457 L A -2.2787
458 S A -2.5774
459 R A -4.1845
460 E A -3.9806
461 L A -2.0587
462 S A -2.7150
463 K A -3.1992
464 T A -2.2862
465 R A -3.0712
466 S A -1.8223
467 L A -0.6008
468 Q A -2.1640
469 Q A -2.6138
470 G A -1.9673
471 P A -2.0291
472 D A -3.5439
473 G A -3.0059
474 L A -2.5244
475 R A -4.5043
476 K A -4.3812
477 Q A -3.9491
478 H A -3.8071
479 Q A -3.5022
480 S A -2.9830
481 D A -2.9376
482 V A -1.7191
483 E A -2.9466
484 A A -1.9868
485 L A -0.6754
486 K A -2.4686
487 R A -2.9373
488 E A -1.8232
489 L A -0.7388
490 Q A -1.7442
491 V A -0.5855
492 L A -0.3787
493 S A -1.0392
494 E A -2.0863
495 Q A -1.2211
496 Y A -0.1911
497 S A -0.6455
498 Q A -1.6396
499 K A -1.1410
500 C A 0.5921
501 L A 1.0161
502 E A -0.2596
503 I A 1.2620
504 G A 0.5987
505 A A 0.2374
506 L A 0.6280
507 M A -0.2248
508 R A -2.8451
509 Q A -2.8912
510 A A -2.9822
511 E A -4.3737
512 E A -4.7514
513 R A -4.6488
514 E A -4.5259
515 H A -3.5212
516 T A -2.5841
517 L A -1.8410
518 R A -3.3730
519 R A -3.6041
520 C A -2.0860
521 Q A -3.0811
522 Q A -3.6302
523 E A -3.5576
524 G A -2.4578
525 Q A -2.7486
526 E A -3.1795
527 L A -1.1940
528 L A -0.9941
529 R A -3.2812
530 H A -2.8070
531 N A -2.7080
532 Q A -3.3290
533 E A -3.4840
534 L A -2.3097
535 H A -2.9954
536 G A -2.8552
537 R A -3.4357
538 L A -1.8302
539 S A -2.3251
540 E A -3.8842
541 E A -3.5024
542 I A -1.8493
543 D A -3.1543
544 Q A -2.1781
545 L A -0.1276
546 R A -1.5466
547 G A -0.5921
548 F A 1.3200
549 I A 1.5382
550 A A 0.4814
551 S A 0.2566
552 Q A -0.5102
553 G A -0.1554
554 M A 0.1019
555 G A -1.0617
556 N A -1.6090
557 G A -1.0976
558 C A -0.7583
559 G A -1.8217
560 R A -2.9201
561 S A -2.6046
562 N A -3.3741
563 E A -3.5159
564 R A -3.4007
565 S A -2.2281
566 S A -1.6405
567 C A -0.9727
568 E A -1.3959
569 L A 0.5379
570 E A -0.3687
571 V A 1.3565
572 L A 1.7177
573 L A 0.0947
574 R A -1.1099
575 V A 0.4066
576 K A -1.3257
577 E A -1.7006
578 N A -1.9369
579 E A -2.2006
580 L A -1.3213
581 Q A -1.9582
582 Y A -1.0915
583 L A -0.9598
584 K A -2.4927
585 K A -2.7772
586 E A -2.3419
587 V A -1.4838
588 Q A -2.3152
589 C A -1.4465
590 L A -0.7276
591 R A -2.2781
592 D A -2.2009
593 E A -1.1669
594 L A -0.5379
595 Q A -2.1280
596 M A -1.9963
597 M A -1.6816
598 Q A -2.6948
599 K A -2.7365
600 D A -2.3068
601 K A -3.1436
602 R A -2.8159
603 F A -0.6592
604 T A -1.3513
605 S A -1.6425
606 G A -1.4471
607 K A -1.4121
608 Y A 0.0520
609 Q A -0.6426
610 D A -1.5559
611 V A 0.1279
612 Y A 1.3593
613 V A 0.8682
614 E A -0.6395
615 L A 0.2432
616 S A -0.3052
617 H A -1.2440
618 I A -0.8316
619 K A -2.8164
620 T A -2.9965
621 R A -3.8304
622 S A -3.4895
623 E A -4.3075
624 R A -4.8295
625 E A -4.2187
626 I A -2.4648
627 E A -3.9035
628 Q A -3.1270
629 L A -1.3527
630 K A -2.5604
631 E A -2.1340
632 H A -1.1072
633 L A -0.0483
634 R A -1.2548
635 L A 0.3136
636 A A 0.3305
637 M A 0.5113
638 A A -0.4159
639 A A -0.4978
640 L A -0.2150
641 Q A -2.2430
642 E A -3.2183
643 K A -3.1338
644 E A -3.7253
645 S A -2.7221
646 M A -1.8644
647 R A -3.2787
648 N A -2.8352
649 S A -1.3848
650 L A -0.1637
651 A A -0.9350
652 E A -1.9126
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Laboratory of Theory of Biopolymers 2018