Project name: RH2b_70kDa

Status: done

Started: 2026-06-02 00:24:27
Settings
Chain sequence(s) A: GSNSVLDHIDVLRDNGTVVFSVQPYYLDIYTCKEAILFTTSFYKDLDKSSITKINEDIEKFNEEIIKNEEQCLVGGKTDFDNLLIVLENAEKANVRKTLFDNTFNDYKNKKSSFYNCLKNKKNDYDKKIKNIKNEITKLLKNIESTGNMCKTESYVMNNNLYLLRVNEVKSTPIDLYLNRAKELLESSSKLVNPIKMKLGDNKNMYSIGYIHDEIKDIIKRYNFHLKHIEKGKEYIKRITQANNIADKMKKDELIKKIFESSKHFASFKYSNEMISKLDSLFIKNEEILNNLFNNIFNIFKKKYETYVDMKTIESKYTTVMTLSEHLLEYAMDVLKANPQKPIDPKANLDSEVVKLQIKINEKSNELDNAISQVKTLIIIMKSFYDIIISEKASMDEMEKKELSLNNYIEKTDYILQTYNIFKSKSNIINNNSKNISSKYITIEGLKNDIDELNSLISYFKDSQETLIKDDELKKNMKTDYLNNVKYIEENVTHINEIILLKDSITQRIADIDELNSLNLININDFINEKNISQEKVSYNLNKLYKGSFEELESELSHFLDTKYLFHEKKSVNELQTILNTSNNECAKLNFMKSDNNNNNNNSNIINLLKTELSHLLSLKENIIKKLLN
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:53)
Show buried residues

Minimal score value
-4.5631
Maximal score value
1.5815
Average score
-1.3171
Total score value
-828.4601

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 G A -0.8768
2 S A -1.0972
3 N A -1.6647
4 S A 0.0000
5 V A 0.0000
6 L A 0.0000
7 D A -0.8766
8 H A 0.0000
9 I A 0.0000
10 D A 0.0000
11 V A 0.0000
12 L A -0.9106
13 R A -2.2825
14 D A -2.8827
15 N A -2.4863
16 G A -1.7711
17 T A -0.8980
18 V A -0.1939
19 V A 0.0000
20 F A 0.0000
21 S A 0.0000
22 V A 0.0000
23 Q A -0.3153
24 P A -0.5201
25 Y A 0.0244
26 Y A 0.0000
27 L A -0.6161
28 D A -1.6577
29 I A 0.0000
30 Y A -0.6536
31 T A 0.0000
32 C A 0.0000
33 K A -0.8816
34 E A -0.3675
35 A A 0.0000
36 I A 0.0000
37 L A 0.9867
38 F A 0.0000
39 T A 0.0000
40 T A -0.6695
41 S A -0.0036
42 F A -0.3863
43 Y A 0.0000
44 K A -3.0393
45 D A -3.7140
46 L A 0.0000
47 D A -3.5025
48 K A -3.4000
49 S A -2.0725
50 S A -2.3872
51 I A -1.9794
52 T A -2.2633
53 K A -3.3349
54 I A 0.0000
55 N A -2.8716
56 E A -3.9477
57 D A -4.4320
58 I A 0.0000
59 E A -4.5631
60 K A -4.2777
61 F A 0.0000
62 N A -2.8072
63 E A -3.5361
64 E A -2.6913
65 I A 0.0000
66 I A -1.7800
67 K A -3.0299
68 N A -2.3076
69 E A -1.9835
70 E A -3.0375
71 Q A -2.1995
72 C A 0.0000
73 L A 0.0000
74 V A 0.2924
75 G A -1.0000
76 G A -1.7549
77 K A -2.5369
78 T A -2.2583
79 D A -2.7958
80 F A 0.0000
81 D A -1.7700
82 N A -1.8445
83 L A -0.7835
84 L A 0.0000
85 I A 0.1042
86 V A -0.2879
87 L A 0.0000
88 E A -0.5606
89 N A -1.5125
90 A A 0.0000
91 E A -3.0257
92 K A -2.7398
93 A A -1.9785
94 N A -2.7489
95 V A 0.0000
96 R A -2.7607
97 K A -2.3372
98 T A -1.0350
99 L A -0.6336
100 F A 0.0000
101 D A -1.7415
102 N A -2.0915
103 T A 0.0000
104 F A -1.6114
105 N A -3.0602
106 D A -3.0744
107 Y A 0.0000
108 K A -3.1804
109 N A -3.0373
110 K A -2.2651
111 K A -1.6957
112 S A -1.6349
113 S A -1.1267
114 F A 0.0000
115 Y A -1.1040
116 N A -2.0009
117 C A -1.3315
118 L A 0.0000
119 K A -2.5146
120 N A -2.8304
121 K A -2.6443
122 K A -3.0004
123 N A -3.4173
124 D A -3.4857
125 Y A 0.0000
126 D A -3.3875
127 K A -4.1141
128 K A -3.7891
129 I A 0.0000
130 K A -4.1877
131 N A -4.0558
132 I A 0.0000
133 K A -3.3687
134 N A -3.6707
135 E A -3.6487
136 I A 0.0000
137 T A -2.8116
138 K A -3.2266
139 L A 0.0000
140 L A 0.0000
141 K A -2.9629
142 N A -3.1153
143 I A 0.0000
144 E A -3.0692
145 S A -2.4059
146 T A -1.4901
147 G A -1.4661
148 N A -2.6410
149 M A -2.5887
150 C A 0.0000
151 K A -3.6492
152 T A 0.0000
153 E A -2.4146
154 S A -0.7533
155 Y A 0.0000
156 V A -0.0304
157 M A 0.4354
158 N A 0.0000
159 N A 0.0000
160 N A 0.1909
161 L A 0.5863
162 Y A 0.0000
163 L A -0.5544
164 L A 0.2560
165 R A -1.2359
166 V A 0.0000
167 N A -2.2517
168 E A -2.6919
169 V A -2.0567
170 K A -2.5998
171 S A -1.7275
172 T A -0.8002
173 P A -0.4856
174 I A 0.0000
175 D A -1.2397
176 L A 0.2250
177 Y A -0.3878
178 L A 0.0000
179 N A -1.6400
180 R A -2.1186
181 A A 0.0000
182 K A -2.9712
183 E A -3.3220
184 L A -2.0395
185 L A -2.5262
186 E A -3.2101
187 S A -2.2757
188 S A 0.0000
189 S A -1.8390
190 K A -2.5077
191 L A 0.0000
192 V A -1.1970
193 N A -1.8919
194 P A -1.4233
195 I A 0.0000
196 K A -1.9675
197 M A -0.6224
198 K A -1.2029
199 L A -1.1056
200 G A -1.7834
201 D A -2.6745
202 N A -2.0374
203 K A -2.4056
204 N A 0.0000
205 M A 0.0000
206 Y A -1.0722
207 S A 0.0000
208 I A 0.0000
209 G A -0.6780
210 Y A 0.0000
211 I A 0.0000
212 H A 0.0000
213 D A -2.4347
214 E A -1.8435
215 I A 0.0000
216 K A -2.8888
217 D A -2.3139
218 I A 0.0000
219 I A -1.5071
220 K A -1.7744
221 R A 0.0000
222 Y A 0.0000
223 N A -1.0043
224 F A -0.4555
225 H A 0.0000
226 L A -1.4913
227 K A -2.2528
228 H A -2.2599
229 I A 0.0000
230 E A -3.5212
231 K A -3.4862
232 G A 0.0000
233 K A -2.9606
234 E A -3.1888
235 Y A -2.4005
236 I A 0.0000
237 K A -2.3203
238 R A -2.9019
239 I A -1.6149
240 T A -1.3513
241 Q A -2.4236
242 A A -1.9993
243 N A -2.2351
244 N A -1.9599
245 I A -1.2080
246 A A -1.9762
247 D A -3.2147
248 K A -3.4262
249 M A 0.0000
250 K A -3.1867
251 K A -3.4931
252 D A -3.1433
253 E A -3.3186
254 L A 0.0000
255 I A 0.0000
256 K A -3.4256
257 K A -2.8538
258 I A 0.0000
259 F A 0.0000
260 E A -2.6617
261 S A 0.0000
262 S A 0.0000
263 K A -2.2161
264 H A -1.7216
265 F A 0.0000
266 A A 0.0000
267 S A -1.1799
268 F A 0.0000
269 K A -1.1161
270 Y A 0.0000
271 S A 0.0000
272 N A -0.8126
273 E A -0.9821
274 M A 0.0000
275 I A 0.0000
276 S A -0.7959
277 K A -0.9646
278 L A 0.0000
279 D A -0.4316
280 S A -0.6038
281 L A 0.0000
282 F A 0.0000
283 I A -0.3118
284 K A -1.1648
285 N A 0.0000
286 E A -1.4823
287 E A -2.3440
288 I A -1.5402
289 L A 0.0000
290 N A -1.7525
291 N A -2.0574
292 L A 0.0000
293 F A 0.0000
294 N A -0.9475
295 N A -0.9709
296 I A 0.0000
297 F A 0.0000
298 N A -1.1192
299 I A -0.7696
300 F A 0.0000
301 K A -2.0982
302 K A -2.9269
303 K A -2.3084
304 Y A 0.0000
305 E A -3.4000
306 T A -2.0027
307 Y A -1.5526
308 V A 0.0000
309 D A -2.7986
310 M A -2.2336
311 K A -2.7935
312 T A -2.0219
313 I A 0.0000
314 E A -1.8695
315 S A -1.5493
316 K A -1.8633
317 Y A 0.0000
318 T A -0.6402
319 T A -0.4779
320 V A -0.1085
321 M A -0.2844
322 T A -0.2748
323 L A -0.0080
324 S A 0.0000
325 E A -2.2742
326 H A -1.7616
327 L A -1.4231
328 L A -1.7553
329 E A -2.4968
330 Y A -1.5012
331 A A 0.0000
332 M A -1.5710
333 D A -2.3559
334 V A 0.0000
335 L A -1.6812
336 K A -2.2070
337 A A -1.3211
338 N A 0.0000
339 P A -1.5059
340 Q A -1.9475
341 K A -1.4684
342 P A -0.7842
343 I A -0.1723
344 D A -1.8936
345 P A -1.5847
346 K A -2.3994
347 A A -1.6373
348 N A -1.9131
349 L A -0.9465
350 D A -1.7801
351 S A -1.5969
352 E A -1.7167
353 V A 0.0000
354 V A -0.8512
355 K A -1.7735
356 L A -1.1305
357 Q A 0.0000
358 I A -0.5699
359 K A -1.6444
360 I A 0.0000
361 N A -2.1016
362 E A -3.0579
363 K A -2.9277
364 S A 0.0000
365 N A -3.3744
366 E A -3.8541
367 L A 0.0000
368 D A -3.0137
369 N A -3.0542
370 A A 0.0000
371 I A 0.0000
372 S A -1.6876
373 Q A -1.2165
374 V A 0.0000
375 K A -1.0896
376 T A -0.0221
377 L A 0.0000
378 I A 0.0000
379 I A 1.5815
380 I A 0.9489
381 M A 0.0000
382 K A -0.3706
383 S A 0.0662
384 F A -0.0047
385 Y A -0.1475
386 D A -0.6475
387 I A 0.4351
388 I A 0.0000
389 I A 0.0341
390 S A -0.1738
391 E A -0.4635
392 K A -0.9371
393 A A -0.8649
394 S A -1.3571
395 M A 0.0000
396 D A -2.7093
397 E A -3.2977
398 M A -2.1847
399 E A -2.4215
400 K A -3.0553
401 K A -2.6068
402 E A -1.5542
403 L A -0.2186
404 S A -0.7555
405 L A -0.8486
406 N A -1.3017
407 N A -1.1976
408 Y A -0.9734
409 I A 0.0000
410 E A -1.4254
411 K A -1.0732
412 T A 0.0000
413 D A -1.4122
414 Y A -0.9531
415 I A 0.0000
416 L A 0.0000
417 Q A -1.3828
418 T A -0.7596
419 Y A -1.0514
420 N A -1.3517
421 I A -0.3567
422 F A 0.0000
423 K A -1.4513
424 S A -0.8702
425 K A -0.7683
426 S A 0.0000
427 N A -1.4591
428 I A -0.6145
429 I A 0.0000
430 N A -1.9225
431 N A -2.2691
432 N A -1.4365
433 S A 0.0000
434 K A -2.5400
435 N A -1.6067
436 I A 0.0000
437 S A -0.6225
438 S A -0.3268
439 K A -0.2133
440 Y A 0.5018
441 I A 1.3065
442 T A 0.2084
443 I A 0.0000
444 E A -1.1676
445 G A -1.4019
446 L A -1.9074
447 K A -2.5294
448 N A -3.5678
449 D A -3.9391
450 I A 0.0000
451 D A -2.7483
452 E A -3.2933
453 L A 0.0000
454 N A -1.3825
455 S A -0.8513
456 L A -0.3605
457 I A 0.0000
458 S A -0.3137
459 Y A 0.3726
460 F A 0.0000
461 K A -1.4284
462 D A -2.0665
463 S A -1.3961
464 Q A 0.0000
465 E A -2.7186
466 T A -1.9417
467 L A -1.6465
468 I A -1.9170
469 K A -2.9944
470 D A -2.5149
471 D A -3.0235
472 E A -3.6173
473 L A -2.4423
474 K A -3.2993
475 K A -4.0755
476 N A -3.4105
477 M A 0.0000
478 K A -2.9362
479 T A -2.2284
480 D A -3.0507
481 Y A 0.0000
482 L A -1.0611
483 N A -1.7993
484 N A -1.8960
485 V A -1.7524
486 K A -2.5767
487 Y A -1.5607
488 I A 0.0000
489 E A -2.9570
490 E A -2.9515
491 N A 0.0000
492 V A -1.5855
493 T A -1.6173
494 H A -1.4056
495 I A 0.0000
496 N A -0.7915
497 E A -0.8670
498 I A 0.0000
499 I A -0.3954
500 L A 0.4735
501 L A -0.4539
502 K A -1.1681
503 D A -1.8147
504 S A -1.1555
505 I A 0.0000
506 T A -1.3328
507 Q A -2.0349
508 R A -1.6735
509 I A -1.3458
510 A A -1.5653
511 D A -1.8126
512 I A 0.0000
513 D A -2.3684
514 E A -2.6716
515 L A -1.1129
516 N A -1.7424
517 S A -1.2727
518 L A -0.1044
519 N A -0.7060
520 L A 1.1600
521 I A 0.1604
522 N A -1.6575
523 I A 0.0000
524 N A -2.8381
525 D A -3.1887
526 F A -1.9939
527 I A -1.9319
528 N A -2.3057
529 E A -1.9650
530 K A 0.0000
531 N A -1.3504
532 I A -0.0311
533 S A 0.0000
534 Q A -1.2835
535 E A -1.7543
536 K A -1.1647
537 V A 0.0000
538 S A -0.8022
539 Y A -0.5280
540 N A 0.0000
541 L A 0.0000
542 N A -1.8480
543 K A -2.0183
544 L A 0.0000
545 Y A -1.4392
546 K A -2.2707
547 G A -1.7967
548 S A -1.6060
549 F A 0.0000
550 E A -2.4073
551 E A -2.9805
552 L A 0.0000
553 E A -2.0957
554 S A -2.2045
555 E A -2.8496
556 L A 0.0000
557 S A -2.1009
558 H A -2.3439
559 F A 0.0000
560 L A -1.8299
561 D A -2.0971
562 T A -0.9989
563 K A -0.9025
564 Y A 0.0534
565 L A -0.4735
566 F A 0.0000
567 H A -1.9940
568 E A -2.7395
569 K A -3.0129
570 K A -2.4324
571 S A -1.9005
572 V A -1.4446
573 N A -2.1069
574 E A -2.3809
575 L A 0.0000
576 Q A -1.6759
577 T A -1.3219
578 I A -1.1269
579 L A 0.0000
580 N A -1.6871
581 T A -1.1970
582 S A 0.0000
583 N A -2.1454
584 N A -2.2353
585 E A -1.9322
586 C A -1.6034
587 A A -1.7388
588 K A -1.9290
589 L A 0.0000
590 N A -1.9964
591 F A -1.4112
592 M A 0.0000
593 K A -3.0534
594 S A -3.6194
595 D A -4.0624
596 N A -3.6002
597 N A -3.4415
598 N A -3.5435
599 N A -3.7215
600 N A -3.7506
601 N A -3.1883
602 N A -1.9954
603 S A -1.8733
604 N A -2.3151
605 I A 0.0000
606 I A -1.5142
607 N A -1.9250
608 L A -1.0957
609 L A 0.0000
610 K A -1.7634
611 T A -0.9657
612 E A 0.0000
613 L A -0.7175
614 S A -0.5235
615 H A -0.8093
616 L A 0.0000
617 L A -0.4426
618 S A -0.9270
619 L A 0.0000
620 K A -1.7317
621 E A -2.6132
622 N A -2.1975
623 I A 0.0000
624 I A -0.9324
625 K A -1.9759
626 K A -1.6227
627 L A 0.1037
628 L A 0.4846
629 N A -0.9477
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Laboratory of Theory of Biopolymers 2018