Project name: RH1_90kDa

Status: done

Started: 2026-06-01 23:37:23
Settings
Chain sequence(s) A: DSSYKFDVYKDTSFLKNREYKELITMQYDYAYLEATKEVLYLIPKDKDYHKFYKNELEKILFNLKDSLKLLREGYIQSKLEMIRIHSDIDILNEFHQGNIINDNYFNNEIKKKKEDMEKYIREYNLYIYKYENQLKIKIQKLTNEVSINLNKSTCEKNCYNYILKLEKYKNIIKDKINKWKDLPEIYIDDKSFSYTFLKDVINNKIDIYKTISSFISTQKQLYYFEYIYIMNKNTLNLLSYNIQKTDINSSSKYTYTKSHFLKDNHILLSKYYTAKFIDILNKTYYYNLYKNKILLFNKYIIKLRNDLKEYAFKSIQFIQDKIKKHKDELSIENILQEVNNIYIKYDTSINEISKYNNLIINTDLQIVQQKLLEIKQKKNDITHKVQLINHIYKNIHDEILNKKNNEITKIIINNIKDHKKDLQDLLLFIQQIKQYNILTDHKITQCNNYYKEIIKMKEDINHIHIYIQPILNNLHTLKQVQNNKIKYEEHIKQILQKIYDKKESLKKIILLKDEAQLDITLLDDLIQKQTKKQTQTQTQTQKQTLIQNNETIQLISGQEDKHESNPFNHIQTYIQQKDTQNKNIQNLLKSLYNGNINTFIDTISKYILKQKDIELTQHVYTDEKINDYLEEIKNEQNKIDKTIDDIKIQETLKQITHIVNNIKT
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                                          (00:25:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:57)
Show buried residues

Minimal score value
-4.7203
Maximal score value
2.3189
Average score
-1.2586
Total score value
-836.9463

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 D A -1.8777
2 S A -1.2481
3 S A -1.1411
4 Y A -1.0433
5 K A -1.5006
6 F A -0.7606
7 D A -1.5937
8 V A -0.7821
9 Y A -0.5422
10 K A -2.3286
11 D A -2.2623
12 T A -1.3970
13 S A -1.2348
14 F A -1.1145
15 L A -1.8840
16 K A -2.9629
17 N A -2.4571
18 R A -3.1552
19 E A -2.4051
20 Y A 0.0000
21 K A -1.9944
22 E A 0.0000
23 L A 0.0000
24 I A 0.0000
25 T A -0.3525
26 M A 0.0000
27 Q A 0.0000
28 Y A -0.0146
29 D A 0.0000
30 Y A 0.0000
31 A A 0.0000
32 Y A 0.0000
33 L A 0.0000
34 E A -0.4294
35 A A 0.0000
36 T A 0.0000
37 K A -0.9114
38 E A -0.5840
39 V A 0.0000
40 L A -0.3317
41 Y A 0.8671
42 L A 0.0000
43 I A 0.0000
44 P A -1.8786
45 K A -3.4297
46 D A -3.6189
47 K A -3.4017
48 D A -3.4719
49 Y A 0.0000
50 H A -2.9412
51 K A -4.1922
52 F A -2.6499
53 Y A 0.0000
54 K A -3.9402
55 N A -3.7884
56 E A -3.5538
57 L A 0.0000
58 E A -2.3803
59 K A -2.3811
60 I A -0.8420
61 L A 0.0000
62 F A -0.2856
63 N A -1.5653
64 L A 0.0000
65 K A 0.0000
66 D A -1.7685
67 S A -1.0074
68 L A 0.0000
69 K A -1.1315
70 L A 0.3314
71 L A 0.0000
72 R A 0.0000
73 E A -1.0639
74 G A -0.6156
75 Y A 0.0000
76 I A 0.0000
77 Q A -1.6087
78 S A 0.0000
79 K A -0.7349
80 L A 0.0000
81 E A -0.7526
82 M A -0.9500
83 I A -0.8039
84 R A -1.0087
85 I A 0.0000
86 H A -1.7360
87 S A 0.0000
88 D A 0.0000
89 I A -1.9264
90 D A -2.3031
91 I A 0.0000
92 L A 0.0000
93 N A -1.9172
94 E A -2.1316
95 F A 0.0000
96 H A -2.0893
97 Q A -2.0620
98 G A -1.1861
99 N A -0.7922
100 I A 1.5351
101 I A 1.4154
102 N A -1.2876
103 D A -2.4829
104 N A -2.3851
105 Y A -1.0739
106 F A -1.4793
107 N A -2.7086
108 N A -2.6827
109 E A -2.1556
110 I A -2.8155
111 K A -3.8315
112 K A -4.2038
113 K A -3.9357
114 K A -4.6673
115 E A -4.7203
116 D A -3.8691
117 M A -3.2905
118 E A -3.3612
119 K A -3.2153
120 Y A -1.9128
121 I A -1.4958
122 R A -2.6125
123 E A -1.7085
124 Y A -1.0031
125 N A -0.9928
126 L A -0.1951
127 Y A -0.0490
128 I A -0.3867
129 Y A -0.2752
130 K A -1.1175
131 Y A 0.0000
132 E A -1.7373
133 N A -2.1847
134 Q A -2.0505
135 L A 0.0000
136 K A -2.2055
137 I A -1.5774
138 K A -2.1840
139 I A 0.0000
140 Q A -2.5459
141 K A -3.0608
142 L A 0.0000
143 T A 0.0000
144 N A -2.2443
145 E A -1.8574
146 V A 0.0000
147 S A 0.0000
148 I A 0.0813
149 N A 0.0000
150 L A -0.5938
151 N A -1.1699
152 K A -2.2003
153 S A -1.4746
154 T A -1.2482
155 C A -1.8634
156 E A -3.0718
157 K A -2.9954
158 N A -2.2569
159 C A 0.0000
160 Y A -0.3588
161 N A -0.9040
162 Y A -0.5377
163 I A 0.0000
164 L A -0.2347
165 K A -1.0641
166 L A 0.0000
167 E A -1.9762
168 K A -2.1202
169 Y A -1.3288
170 K A -2.0537
171 N A -2.5694
172 I A -1.5541
173 I A 0.0000
174 K A -2.7409
175 D A -3.4710
176 K A -2.8912
177 I A 0.0000
178 N A -3.3744
179 K A -3.7293
180 W A -2.7994
181 K A -3.1878
182 D A -3.2210
183 L A 0.0000
184 P A -1.5996
185 E A -1.6562
186 I A -0.2517
187 Y A 0.0033
188 I A -0.6511
189 D A -1.9525
190 D A -2.0421
191 K A -2.1202
192 S A -1.3960
193 F A 0.0000
194 S A -0.2918
195 Y A 0.1520
196 T A -0.0592
197 F A -0.2826
198 L A 0.0000
199 K A -1.3780
200 D A -1.6883
201 V A 0.0000
202 I A 0.0000
203 N A -2.5009
204 N A -1.9790
205 K A -1.9778
206 I A 0.0000
207 D A -2.3505
208 I A 0.0000
209 Y A 0.0000
210 K A -1.9972
211 T A 0.0000
212 I A 0.0000
213 S A 0.0000
214 S A -0.4867
215 F A 0.0000
216 I A 0.0000
217 S A 0.0000
218 T A 0.0000
219 Q A -0.4940
220 K A -1.0999
221 Q A 0.0000
222 L A 0.0000
223 Y A -0.0592
224 Y A 0.0000
225 F A 0.0000
226 E A -0.2929
227 Y A 0.2917
228 I A 0.0000
229 Y A 0.0000
230 I A -0.0084
231 M A 0.0000
232 N A 0.0000
233 K A -1.1668
234 N A -1.4228
235 T A -0.5819
236 L A 0.0000
237 N A -1.0960
238 L A -0.2365
239 L A 0.0000
240 S A -0.5933
241 Y A 0.3184
242 N A -0.7780
243 I A 0.0000
244 Q A -2.0709
245 K A -2.3395
246 T A -1.9372
247 D A -2.9536
248 I A 0.0000
249 N A -2.2139
250 S A -1.4274
251 S A -0.8673
252 S A -0.6784
253 K A -1.0897
254 Y A 0.1062
255 T A -0.5816
256 Y A 0.0000
257 T A -1.5869
258 K A -2.1396
259 S A -1.5069
260 H A -1.2925
261 F A 0.0000
262 L A -0.9924
263 K A -1.6781
264 D A -1.2539
265 N A 0.0000
266 H A -0.4937
267 I A -0.1934
268 L A 0.0000
269 L A 0.0000
270 S A 0.0000
271 K A -0.2742
272 Y A 0.0000
273 Y A 0.0000
274 T A 0.0000
275 A A 0.0000
276 K A -0.3003
277 F A 0.1279
278 I A 0.0000
279 D A 0.0000
280 I A 0.3764
281 L A 0.0000
282 N A 0.0000
283 K A -0.9408
284 T A -0.4577
285 Y A -0.3763
286 Y A 0.0000
287 Y A -1.1295
288 N A -1.5030
289 L A -0.7314
290 Y A 0.0000
291 K A -1.2415
292 N A -1.3195
293 K A -0.7849
294 I A 0.0000
295 L A 0.1761
296 L A 0.0183
297 F A 0.0000
298 N A -0.6386
299 K A -1.1756
300 Y A -0.5401
301 I A 0.0000
302 I A -0.0279
303 K A -1.5272
304 L A 0.0000
305 R A -1.1371
306 N A -1.7874
307 D A -1.9809
308 L A 0.0000
309 K A -1.8037
310 E A -2.3012
311 Y A -1.5326
312 A A 0.0000
313 F A -0.4775
314 K A -1.0177
315 S A -0.4222
316 I A 0.0000
317 Q A -0.5493
318 F A 0.6607
319 I A 0.0000
320 Q A -1.1400
321 D A -1.6246
322 K A -1.9020
323 I A 0.0000
324 K A -3.5524
325 K A -4.1868
326 H A -3.3527
327 K A -3.7123
328 D A -4.3521
329 E A -3.7140
330 L A 0.0000
331 S A -1.9420
332 I A 0.0000
333 E A -3.0078
334 N A -2.8551
335 I A 0.0000
336 L A -1.8816
337 Q A -2.7751
338 E A -2.6940
339 V A 0.0000
340 N A -1.5969
341 N A -1.3690
342 I A 0.0000
343 Y A -0.6283
344 I A 0.1458
345 K A -1.2968
346 Y A 0.0000
347 D A -1.1028
348 T A -1.2374
349 S A 0.0000
350 I A 0.0000
351 N A -2.5963
352 E A -2.9229
353 I A 0.0000
354 S A -1.6668
355 K A -2.6478
356 Y A -1.5144
357 N A -1.3303
358 N A -1.0056
359 L A 0.0000
360 I A 0.9328
361 I A 1.6779
362 N A 0.2896
363 T A -0.0762
364 D A -0.7318
365 L A 0.0000
366 Q A -1.1133
367 I A -0.8468
368 V A 0.0000
369 Q A -1.4861
370 Q A -1.5708
371 K A -1.3710
372 L A 0.0000
373 L A -1.0974
374 E A -2.5036
375 I A 0.0000
376 K A -2.5875
377 Q A -3.1388
378 K A -3.4508
379 K A -2.7347
380 N A -3.4847
381 D A -3.4267
382 I A 0.0000
383 T A -1.9194
384 H A -2.3046
385 K A -1.8720
386 V A 0.0000
387 Q A -1.4932
388 L A -0.8765
389 I A 0.0000
390 N A -1.7347
391 H A -1.9274
392 I A -1.6102
393 Y A 0.0000
394 K A -3.2115
395 N A -3.2063
396 I A 0.0000
397 H A -2.6384
398 D A -3.3983
399 E A -3.0420
400 I A 0.0000
401 L A -1.6817
402 N A -2.2696
403 K A 0.0000
404 K A -2.2189
405 N A -2.3489
406 N A -2.3027
407 E A -1.7919
408 I A 0.0000
409 T A -1.1490
410 K A -1.7287
411 I A -0.3963
412 I A 1.0502
413 I A 1.5659
414 N A -0.4976
415 N A 0.0000
416 I A 1.2027
417 K A -1.2948
418 D A -1.9732
419 H A -1.4042
420 K A -2.1224
421 K A -2.4078
422 D A 0.0000
423 L A 0.0000
424 Q A -1.0736
425 D A -0.7810
426 L A 0.0000
427 L A 0.0000
428 L A 0.4662
429 F A 0.0000
430 I A 0.0000
431 Q A -0.8896
432 Q A -0.9822
433 I A 0.0000
434 K A -0.7404
435 Q A -0.8336
436 Y A 0.0000
437 N A -0.3642
438 I A 0.5808
439 L A 0.2053
440 T A 0.0000
441 D A -1.6149
442 H A -1.5848
443 K A -1.5020
444 I A -1.3976
445 T A -1.6396
446 Q A -1.9991
447 C A 0.0000
448 N A -2.1117
449 N A -2.5400
450 Y A -1.6366
451 Y A -1.8101
452 K A -3.0119
453 E A -2.9713
454 I A 0.0000
455 I A -2.1460
456 K A -3.4939
457 M A -3.2207
458 K A -3.0399
459 E A -3.7789
460 D A -3.8181
461 I A 0.0000
462 N A -1.8550
463 H A -1.3621
464 I A -0.6532
465 H A -0.0572
466 I A 1.7965
467 Y A 1.3959
468 I A 0.0000
469 Q A -0.1700
470 P A -0.6413
471 I A -0.6411
472 L A 0.0000
473 N A -2.1531
474 N A -2.1994
475 L A 0.0000
476 H A -1.6978
477 T A -1.1732
478 L A -0.5539
479 K A -1.6062
480 Q A -1.2881
481 V A -0.4113
482 Q A -0.6664
483 N A -0.9342
484 N A -1.2934
485 K A -1.3520
486 I A -1.0723
487 K A -2.3819
488 Y A -2.4268
489 E A -2.9372
490 E A -3.7753
491 H A -3.3642
492 I A 0.0000
493 K A -3.6904
494 Q A -3.1912
495 I A 0.0000
496 L A 0.0000
497 Q A -2.4969
498 K A -2.8538
499 I A 0.0000
500 Y A -1.3894
501 D A -2.6011
502 K A -2.5788
503 K A -2.1804
504 E A -2.7630
505 S A -2.1391
506 L A 0.0000
507 K A -2.3922
508 K A -1.9156
509 I A 0.0000
510 I A -1.1667
511 L A -0.6831
512 L A -0.9499
513 K A -1.7463
514 D A -2.1579
515 E A -1.7230
516 A A 0.0000
517 Q A -0.8571
518 L A -0.0068
519 D A -0.6514
520 I A 0.0000
521 T A 0.3594
522 L A 1.4196
523 L A 0.4670
524 D A -0.5309
525 D A -0.6542
526 L A -0.0307
527 I A 0.0000
528 Q A -1.9755
529 K A -2.7979
530 Q A -2.6027
531 T A -2.2530
532 K A -3.5727
533 K A -4.0401
534 Q A -3.3016
535 T A -2.8192
536 Q A -3.4331
537 T A -2.3708
538 Q A -2.5130
539 T A -2.1370
540 Q A -2.1944
541 T A -1.8363
542 Q A -2.7316
543 K A -2.9953
544 Q A -2.0648
545 T A 0.1117
546 L A 2.0487
547 I A 1.8785
548 Q A -0.7515
549 N A -2.4992
550 N A -3.1341
551 E A -2.3713
552 T A -0.4553
553 I A 1.3343
554 Q A 1.0229
555 L A 2.3189
556 I A 2.3079
557 S A 0.4961
558 G A -0.9223
559 Q A -2.9834
560 E A -4.0352
561 D A -4.2471
562 K A -4.2223
563 H A -3.5629
564 E A -3.4851
565 S A -2.4394
566 N A -1.9847
567 P A -1.0761
568 F A 0.1972
569 N A -1.5888
570 H A -1.9509
571 I A -0.9430
572 Q A -1.4876
573 T A -1.5827
574 Y A 0.0000
575 I A -1.0444
576 Q A -2.2123
577 Q A -2.6752
578 K A -2.2710
579 D A -2.4828
580 T A -2.3674
581 Q A -2.3983
582 N A -2.7545
583 K A -3.3415
584 N A -2.7699
585 I A 0.0000
586 Q A -2.8875
587 N A -2.6805
588 L A -1.8886
589 L A 0.0000
590 K A -2.5090
591 S A -1.4703
592 L A 0.0000
593 Y A -1.3377
594 N A -2.0953
595 G A -1.8130
596 N A -2.2902
597 I A 0.0000
598 N A -2.2377
599 T A -1.6223
600 F A -1.2961
601 I A 0.0000
602 D A -2.4253
603 T A -1.5066
604 I A 0.0000
605 S A -1.1501
606 K A -2.1473
607 Y A -1.3555
608 I A 0.0000
609 L A -0.8967
610 K A -2.4823
611 Q A 0.0000
612 K A -2.7050
613 D A -2.4522
614 I A -1.2356
615 E A -1.5619
616 L A 0.0531
617 T A -0.3734
618 Q A -1.0702
619 H A -1.0671
620 V A -0.9605
621 Y A -0.1879
622 T A -1.3141
623 D A -2.2266
624 E A -3.3126
625 K A -3.3201
626 I A 0.0000
627 N A -3.5282
628 D A -4.3170
629 Y A -3.0070
630 L A 0.0000
631 E A -4.2711
632 E A -4.0566
633 I A 0.0000
634 K A -3.4479
635 N A -3.4645
636 E A -3.1807
637 Q A -3.0189
638 N A -3.2578
639 K A -3.4323
640 I A 0.0000
641 D A -3.3351
642 K A -3.3699
643 T A -2.1447
644 I A 0.0000
645 D A -2.3219
646 D A -2.3113
647 I A -0.1072
648 K A -1.2827
649 I A 0.0000
650 Q A -1.9611
651 E A -1.9970
652 T A 0.0000
653 L A -1.4639
654 K A -2.3437
655 Q A -2.0089
656 I A 0.0000
657 T A -1.6955
658 H A -2.1161
659 I A 0.0000
660 V A -2.0578
661 N A -2.0149
662 N A -2.4177
663 I A -1.9069
664 K A -2.3555
665 T A -1.3928
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Laboratory of Theory of Biopolymers 2018