Project name: JEV E

Status: done

Started: 2026-04-01 03:13:31
Settings
Chain sequence(s) A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAGSGSGHMHHHHHHSSGLVPRGSGMKETAAAKFERQHMDSPDLGTDDDDKAMADIGSMFNCLGMGNRDFIEGASGATWVDLVLEGDSCLTIMANDKPTLDVRMINIEASQLAEVRSYCYHASVTDISTVARCPMTGEAHNEKRADSSYVCKQGFTDRGWGNGCGLFGKGSIDTCAKFSCTSKAIGRTIQPENIKYEVGIFVHGTTTSENHGNYSAQVGASQAAKFTVTPNAPSITLKLGDYGEVTLDCEPRSGLNTEAFYVMTVGSKSFLVHREWFHDLALPWTSPSSTAWRNRELLMEFEGAHATKQSVVALGSQEGGLHHALAGAIVVEYSSSVMLTSGHLKCRLKMDKLALKGTTYGMCTEKFSFAKNPADTGHGTVVIELSYSGRDGPCKIPIVSVASLNDMTPVGRLVTVNPFVATSSANSKVLVEMEPPFGDSYIVVGRGDKQINHHWHKAGSTLGKAFLTTLKGAQRLAALGDTAWDFGSIGGVFNSIGKAVHQVFGGAFRTLFGGMSWITQGLMGALLLWMGVNARDRSIALAFLATGGVLVFLATNVHALEHHHHHH
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                                          (00:06:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:53)
Show buried residues

Minimal score value
-4.6773
Maximal score value
3.1757
Average score
-0.6305
Total score value
-424.9378

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 0.2216
2 S A -1.2304
3 D A -1.9880
4 K A -2.0408
5 I A 0.0000
6 I A -0.3375
7 H A -0.8145
8 L A 0.0000
9 T A -1.6081
10 D A -2.0871
11 D A -2.5573
12 S A -1.7875
13 F A 0.0000
14 D A -2.3333
15 T A -1.7461
16 D A -1.7366
17 V A 0.0000
18 L A -1.9594
19 K A -2.9594
20 A A -2.3438
21 D A -2.7267
22 G A -2.1658
23 A A -1.5005
24 I A 0.0000
25 L A 0.0000
26 V A 0.0000
27 D A 0.0000
28 F A 0.0000
29 W A -0.2484
30 A A 0.0000
31 E A -0.9359
32 W A 0.0801
33 C A 0.0000
34 G A -0.3447
35 P A -0.2412
36 C A 0.0000
37 K A -0.4631
38 M A -0.3305
39 I A 0.0000
40 A A -0.1770
41 P A -0.3899
42 I A 0.0000
43 L A 0.0000
44 D A -1.6777
45 E A -2.6282
46 I A 0.0000
47 A A 0.0000
48 D A -3.9821
49 E A -3.7570
50 Y A 0.0000
51 Q A -3.3386
52 G A -2.3575
53 K A -2.6566
54 L A 0.0000
55 T A -1.2373
56 V A 0.0000
57 A A 0.0000
58 K A 0.0000
59 L A 0.0000
60 N A -1.2499
61 I A -1.2453
62 D A -2.3005
63 Q A -2.2587
64 N A 0.0000
65 P A -1.4678
66 G A -1.3721
67 T A 0.0000
68 A A 0.0000
69 P A -1.4888
70 K A -1.8279
71 Y A -0.8787
72 G A -1.4259
73 I A 0.0000
74 R A -1.9360
75 G A -0.9717
76 I A -0.0305
77 P A 0.0000
78 T A 0.0000
79 L A 0.0000
80 L A 0.0000
81 L A 0.0000
82 F A 0.0000
83 K A -1.8726
84 N A -2.6635
85 G A -2.3248
86 E A -2.0256
87 V A -0.2361
88 A A -0.3972
89 A A -0.2269
90 T A 0.2410
91 K A 0.2155
92 V A 1.1465
93 G A 0.4596
94 A A -0.0826
95 L A 0.0000
96 S A -1.0985
97 K A -1.4777
98 G A -1.9220
99 Q A -2.4966
100 L A 0.0000
101 K A -2.6904
102 E A -3.1640
103 F A 0.0000
104 L A 0.0000
105 D A -2.2860
106 A A -1.3746
107 N A -1.2065
108 L A 0.0000
109 A A -1.0158
110 G A -0.9433
111 S A -1.0803
112 G A -1.2627
113 S A -0.9329
114 G A -1.0216
115 H A -1.2609
116 M A -0.5495
117 H A -1.7409
118 H A -2.2090
119 H A -2.5237
120 H A -2.6879
121 H A -2.4819
122 H A -2.1023
123 S A -1.1319
124 S A -0.3201
125 G A 0.4197
126 L A 1.8319
127 V A 1.7346
128 P A -0.0847
129 R A -1.6820
130 G A -1.2915
131 S A -1.1285
132 G A -1.0204
133 M A -0.5038
134 K A -2.2293
135 E A -2.4758
136 T A -1.2472
137 A A -0.7776
138 A A -0.2693
139 A A -0.3782
140 K A -1.4405
141 F A -0.4172
142 E A -2.7007
143 R A -3.0866
144 Q A -2.7746
145 H A -2.3196
146 M A -1.0556
147 D A -2.1688
148 S A -1.2404
149 P A -1.1843
150 D A -1.6377
151 L A 0.0492
152 G A -1.1372
153 T A -1.8262
154 D A -3.4861
155 D A -4.4760
156 D A -4.6773
157 D A -4.1934
158 K A -3.1344
159 A A -1.3604
160 M A -0.1365
161 A A -0.1838
162 D A -0.3859
163 I A 0.0000
164 G A -0.6014
165 S A -0.4881
166 M A -0.0576
167 F A 0.0000
168 N A 0.0000
169 C A 0.0000
170 L A -0.0166
171 G A -0.8704
172 M A 0.0000
173 G A -1.5651
174 N A -2.1515
175 R A 0.0000
176 D A -0.5341
177 F A -0.2254
178 I A 0.0000
179 E A -1.9816
180 G A -1.1577
181 A A -0.7930
182 S A -1.2234
183 G A -0.8735
184 A A -0.6289
185 T A -1.2057
186 W A -0.6152
187 V A 0.0000
188 D A 0.0000
189 L A 0.0000
190 V A 0.0000
191 L A 0.0000
192 E A -1.1942
193 G A -1.4110
194 D A -2.4820
195 S A -1.6442
196 C A 0.0000
197 L A 0.0000
198 T A 0.0000
199 I A 0.0000
200 M A 0.0000
201 A A -1.7200
202 N A -2.5569
203 D A -2.4561
204 K A -1.8440
205 P A 0.0000
206 T A 0.0000
207 L A 0.0000
208 D A 0.0000
209 V A 0.0000
210 R A 0.0000
211 M A 0.0000
212 I A 0.0000
213 N A -0.9332
214 I A 0.0000
215 E A -1.0028
216 A A 0.0000
217 S A -1.3249
218 Q A -1.6428
219 L A -0.7910
220 A A -0.7070
221 E A -0.8754
222 V A -0.2567
223 R A -0.4952
224 S A 0.0000
225 Y A 0.0000
226 C A 0.0000
227 Y A 0.0000
228 H A -1.1474
229 A A 0.0000
230 S A -0.0874
231 V A -0.0186
232 T A -0.4223
233 D A -1.0646
234 I A 0.2986
235 S A -0.3995
236 T A -0.5071
237 V A -0.8438
238 A A -0.7769
239 R A -1.3715
240 C A -0.5425
241 P A 0.0000
242 M A 0.6077
243 T A -0.2739
244 G A -1.3530
245 E A -2.2030
246 A A 0.0000
247 H A -2.4529
248 N A 0.0000
249 E A -2.6485
250 K A -2.2095
251 R A -2.3584
252 A A -1.5859
253 D A -1.9010
254 S A -0.9687
255 S A -0.7151
256 Y A -0.7309
257 V A -0.8743
258 C A -1.2385
259 K A -2.2117
260 Q A -1.4082
261 G A -0.3090
262 F A 0.3548
263 T A 0.0000
264 D A -1.9177
265 R A 0.0000
266 G A 0.0000
267 W A 1.1077
268 G A -0.0781
269 N A -0.7219
270 G A -0.5465
271 C A 0.0000
272 G A 0.4770
273 L A 1.6269
274 F A 1.7423
275 G A 0.0255
276 K A -1.3048
277 G A 0.0000
278 S A 0.0000
279 I A 0.0000
280 D A 0.0000
281 T A 0.0000
282 C A 0.0000
283 A A 0.0000
284 K A -0.7722
285 F A 0.0000
286 S A -0.1911
287 C A -0.2707
288 T A -0.4730
289 S A -1.0861
290 K A -1.3816
291 A A 0.0000
292 I A -0.2339
293 G A 0.0000
294 R A -0.4547
295 T A -0.6767
296 I A 0.0000
297 Q A -1.6972
298 P A -2.3394
299 E A -2.9720
300 N A -2.1041
301 I A 0.0000
302 K A -1.7721
303 Y A 0.0000
304 E A -0.7611
305 V A 0.0000
306 G A 0.0000
307 I A 0.0000
308 F A 0.0000
309 V A 0.0000
310 H A 0.0000
311 G A 0.0000
312 T A -0.2392
313 T A 0.0000
314 T A -0.9183
315 S A -0.9812
316 E A -1.4463
317 N A -1.1950
318 H A 0.0000
319 G A -0.5351
320 N A -0.4150
321 Y A 0.2033
322 S A 0.0501
323 A A -0.1733
324 Q A 0.0000
325 V A 0.7302
326 G A -0.0063
327 A A -0.1251
328 S A -0.5512
329 Q A 0.0000
330 A A 0.0000
331 A A -0.0275
332 K A -0.0429
333 F A -0.0815
334 T A -0.4387
335 V A 0.0000
336 T A -1.7714
337 P A 0.0000
338 N A -1.9693
339 A A -0.9826
340 P A -1.2798
341 S A -0.8520
342 I A 0.0740
343 T A -0.5688
344 L A -0.9145
345 K A -2.4972
346 L A 0.0000
347 G A -1.9594
348 D A -2.4573
349 Y A 0.0000
350 G A -2.2554
351 E A -2.5922
352 V A 0.0000
353 T A -1.2396
354 L A 0.0000
355 D A -1.3766
356 C A 0.0000
357 E A -2.8143
358 P A 0.0000
359 R A -3.1608
360 S A -1.9817
361 G A 0.0000
362 L A -1.1939
363 N A -2.0249
364 T A 0.0000
365 E A -2.2164
366 A A -1.4585
367 F A -0.6940
368 Y A 0.0000
369 V A 0.0000
370 M A 0.0000
371 T A -0.6364
372 V A 0.0000
373 G A -1.2350
374 S A -1.1445
375 K A -1.4519
376 S A 0.0000
377 F A 0.0000
378 L A 0.0000
379 V A 0.0000
380 H A -1.0727
381 R A -1.7240
382 E A -2.4158
383 W A -1.3692
384 F A 0.0000
385 H A -1.8928
386 D A -2.2841
387 L A -0.8761
388 A A -0.2432
389 L A 0.0000
390 P A 0.0000
391 W A -0.6718
392 T A -0.6490
393 S A -0.5290
394 P A -0.5214
395 S A -0.4676
396 S A -0.4789
397 T A -0.3721
398 A A -0.4789
399 W A -1.0043
400 R A -2.1248
401 N A -1.6121
402 R A -1.4444
403 E A -2.2707
404 L A -0.7455
405 L A 0.0000
406 M A 0.0000
407 E A -1.9958
408 F A -1.7649
409 E A -2.1210
410 G A -1.5566
411 A A -1.4454
412 H A -1.9762
413 A A -1.7176
414 T A -1.3143
415 K A -2.2572
416 Q A -1.4690
417 S A -0.9978
418 V A 0.0000
419 V A 0.0645
420 A A -0.2402
421 L A -0.3642
422 G A -0.6776
423 S A -1.2506
424 Q A -1.7583
425 E A -2.2298
426 G A -1.6620
427 G A -1.6304
428 L A 0.0000
429 H A -1.6305
430 H A -1.6338
431 A A -0.8210
432 L A 0.0000
433 A A -0.6286
434 G A -0.8743
435 A A -0.2842
436 I A 0.2893
437 V A 0.2838
438 V A 0.0000
439 E A -1.7198
440 Y A -0.8488
441 S A -0.5922
442 S A -0.6550
443 S A -0.7924
444 V A 0.0000
445 M A -0.5819
446 L A 0.0000
447 T A -0.8521
448 S A -0.4531
449 G A -0.6925
450 H A -0.7073
451 L A 0.0000
452 K A -1.5284
453 C A 0.0000
454 R A -1.3434
455 L A 0.0000
456 K A -1.7311
457 M A 0.0000
458 D A -2.8486
459 K A -2.9177
460 L A 0.0000
461 A A -1.5549
462 L A -0.7654
463 K A -0.8718
464 G A -0.5683
465 T A -0.4256
466 T A -0.0730
467 Y A 0.0342
468 G A -0.1940
469 M A 0.1610
470 C A 0.0000
471 T A -1.2844
472 E A -2.0492
473 K A -2.1252
474 F A 0.0000
475 S A -0.8682
476 F A -0.6504
477 A A -1.1518
478 K A -2.0511
479 N A -2.0701
480 P A 0.0000
481 A A -1.3694
482 D A -2.2350
483 T A -1.2438
484 G A -1.4300
485 H A -1.2784
486 G A -1.0127
487 T A 0.0000
488 V A 0.0000
489 V A -0.5503
490 I A 0.0000
491 E A 0.0000
492 L A 0.0000
493 S A -1.0844
494 Y A 0.0000
495 S A -1.6855
496 G A 0.0000
497 R A -2.7966
498 D A -2.1072
499 G A -1.3628
500 P A -0.7721
501 C A 0.0000
502 K A -0.1643
503 I A 0.0000
504 P A 0.0000
505 I A 0.0000
506 V A 0.0000
507 S A 0.0000
508 V A 0.0000
509 A A -0.4775
510 S A -0.7934
511 L A -0.5076
512 N A -1.7305
513 D A -2.0734
514 M A -0.5774
515 T A -0.4231
516 P A -0.0802
517 V A 0.7055
518 G A -0.0182
519 R A -0.4718
520 L A -0.0085
521 V A 0.0000
522 T A 0.0000
523 V A -0.1149
524 N A -0.3108
525 P A 0.0000
526 F A 0.0000
527 V A 0.0000
528 A A -0.3832
529 T A -0.9437
530 S A -1.5537
531 S A -1.4360
532 A A -1.6226
533 N A -1.8745
534 S A -1.3937
535 K A -1.4810
536 V A 0.0000
537 L A 0.0000
538 V A 0.0000
539 E A 0.0000
540 M A 0.0000
541 E A -0.5714
542 P A 0.0000
543 P A -0.3124
544 F A -0.3833
545 G A -1.1282
546 D A -2.1410
547 S A 0.0000
548 Y A -0.3455
549 I A 0.0000
550 V A 0.0000
551 V A 0.0000
552 G A 0.0000
553 R A -2.8187
554 G A -2.5611
555 D A -2.9944
556 K A -2.7553
557 Q A -2.3445
558 I A -1.1108
559 N A -0.6563
560 H A -0.7648
561 H A -1.2169
562 W A -1.3570
563 H A -1.9103
564 K A 0.0000
565 A A -0.6113
566 G A -0.6291
567 S A 0.0291
568 T A 0.4310
569 L A 1.4968
570 G A 0.5948
571 K A -0.2022
572 A A 0.9787
573 F A 2.2385
574 L A 1.4490
575 T A 0.5459
576 T A 0.5704
577 L A 0.6959
578 K A -0.1133
579 G A 0.0711
580 A A 0.1262
581 Q A -0.1561
582 R A -0.3104
583 L A 0.1889
584 A A 0.2629
585 A A 0.0509
586 L A 0.0000
587 G A -0.4840
588 D A -0.5888
589 T A -0.5214
590 A A -0.0790
591 W A 0.0914
592 D A 0.0000
593 F A 0.1989
594 G A -0.2242
595 S A 0.0000
596 I A 0.4239
597 G A 0.4088
598 G A 1.4753
599 V A 2.9688
600 F A 3.1658
601 N A 1.9958
602 S A 1.9649
603 I A 3.1757
604 G A 1.7176
605 K A 0.8568
606 A A 1.4723
607 V A 2.3708
608 H A 0.9730
609 Q A 0.2397
610 V A 1.9878
611 F A 1.4704
612 G A 0.1578
613 G A -0.0745
614 A A 0.3383
615 F A 0.0741
616 R A -1.5012
617 T A -0.3202
618 L A 0.8044
619 F A 0.0000
620 G A -1.0200
621 G A -0.6820
622 M A 0.1644
623 S A 0.7733
624 W A 1.7610
625 I A 2.4339
626 T A 1.5483
627 Q A 1.4723
628 G A 1.9831
629 L A 2.4875
630 M A 1.8331
631 G A 0.0000
632 A A 1.7263
633 L A 2.2718
634 L A 0.0000
635 L A 2.4802
636 W A 2.3499
637 M A 1.5752
638 G A 0.0000
639 V A 1.9864
640 N A -0.3717
641 A A -0.9225
642 R A -2.9654
643 D A -3.1841
644 R A -2.3928
645 S A -0.7170
646 I A 0.4619
647 A A 0.0000
648 L A 1.5242
649 A A 1.2420
650 F A 2.0069
651 L A 2.2853
652 A A 1.1334
653 T A 0.9878
654 G A 0.0000
655 G A 0.8690
656 V A 1.1836
657 L A 0.0000
658 V A 1.8192
659 F A 1.2525
660 L A 1.0434
661 A A 0.0000
662 T A 0.8661
663 N A 0.0000
664 V A 0.3951
665 H A -0.2225
666 A A -0.7558
667 L A -0.9592
668 E A -1.8390
669 H A -2.2384
670 H A -2.4407
671 H A -2.5024
672 H A -2.1874
673 H A -2.5176
674 H A -2.4870
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Laboratory of Theory of Biopolymers 2018