Project name: iav_HA

Status: done

Started: 2026-07-16 15:29:41
Settings
Chain sequence(s) A: MENIVLLLATVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHMLSRINHFEKILIIPKSSWPNHETSLGVSAACSYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPTTYISVGTSTLNQRLTPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPLREKRRKRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLKDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISGVKLESVGTYQILSIYSTAASSLALAIMMAGLSLWMCSNGSLQCRICIKGENLYFQGHHHHHH
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:50)
Show buried residues

Minimal score value
-4.9266
Maximal score value
3.9433
Average score
-0.8068
Total score value
-469.5364

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 0.5855
2 E A -0.6009
3 N A 0.2523
4 I A 2.4001
5 V A 3.3400
6 L A 3.3559
7 L A 3.7654
8 L A 3.9433
9 A A 2.9507
10 T A 2.5294
11 V A 3.0962
12 S A 1.9145
13 L A 2.2947
14 V A 1.6311
15 K A -1.0151
16 S A -1.1663
17 D A -2.1596
18 Q A -1.8876
19 I A 0.0000
20 C A 0.0577
21 I A -0.1412
22 G A -0.3832
23 Y A -0.2578
24 H A -1.3041
25 A A -1.3160
26 N A -2.4569
27 N A -2.2029
28 S A -1.8627
29 T A -1.5709
30 E A -2.5875
31 Q A -2.6626
32 V A 0.0000
33 D A -1.8112
34 T A -0.9419
35 I A 0.3266
36 M A 0.0888
37 E A -2.3563
38 K A -3.1107
39 N A -3.1133
40 V A 0.0000
41 T A -2.0620
42 V A 0.0000
43 T A -1.6855
44 H A -1.6954
45 A A -1.2454
46 Q A -1.1430
47 D A -0.9733
48 I A 0.0000
49 L A 0.0000
50 E A -1.5851
51 K A -1.8687
52 T A -1.3791
53 H A -1.6231
54 N A -1.3285
55 G A -1.1416
56 K A -1.7831
57 L A 0.0000
58 C A 0.0000
59 D A -1.9567
60 L A -1.9686
61 N A -2.5484
62 G A -1.6568
63 V A -1.2241
64 K A -2.1708
65 P A -0.8767
66 L A 0.0000
67 I A -1.0664
68 L A 0.0000
69 K A -2.7269
70 D A -2.4293
71 C A 0.0000
72 S A 0.0000
73 V A 0.0000
74 A A 0.0000
75 G A 0.0000
76 W A 0.0000
77 L A 0.0000
78 L A 0.0000
79 G A 0.0000
80 N A 0.0000
81 P A 0.0000
82 M A -0.2208
83 C A 0.0000
84 D A -1.3444
85 E A -2.1010
86 F A 0.0000
87 I A -1.0122
88 R A -1.9941
89 V A 0.0000
90 P A -1.5305
91 E A -2.0834
92 W A 0.0000
93 S A 0.0000
94 Y A 0.0000
95 I A 0.0000
96 V A 0.0000
97 E A 0.0000
98 R A -2.9492
99 A A -1.8276
100 N A -2.2435
101 P A -2.1386
102 A A -1.2988
103 N A -1.1411
104 D A -1.1533
105 L A -0.3536
106 C A 0.0000
107 Y A 0.0000
108 P A 0.0000
109 G A -0.4045
110 S A -0.6745
111 L A 0.0000
112 N A -1.7811
113 D A -3.0274
114 Y A -2.4013
115 E A -3.5397
116 E A -3.6900
117 L A 0.0000
118 K A -2.3416
119 H A -2.5228
120 M A -1.9206
121 L A 0.0000
122 S A -2.1759
123 R A -3.4334
124 I A 0.0000
125 N A -2.1296
126 H A -1.6550
127 F A 0.0000
128 E A -1.1525
129 K A -0.3019
130 I A 0.6391
131 L A 1.3816
132 I A 0.0000
133 I A 0.0000
134 P A -0.4823
135 K A -1.5830
136 S A -1.1162
137 S A -0.8485
138 W A 0.0000
139 P A -1.3549
140 N A -2.0282
141 H A 0.0000
142 E A -1.1184
143 T A -0.4642
144 S A 0.4212
145 L A 1.4106
146 G A 0.0000
147 V A 1.1547
148 S A 0.0000
149 A A -0.1818
150 A A 0.0000
151 C A 0.0000
152 S A -0.0615
153 Y A -0.1563
154 Q A -1.1295
155 G A -0.9220
156 A A -0.4045
157 P A 0.0338
158 S A 0.2546
159 F A 0.4757
160 F A 0.0000
161 R A -0.4310
162 N A 0.0000
163 V A 0.0000
164 V A 0.0000
165 W A 0.0000
166 L A 0.0000
167 I A 0.0000
168 K A -2.2362
169 K A -2.7247
170 N A -2.8907
171 D A -3.2026
172 A A -2.3440
173 Y A 0.0000
174 P A -1.1577
175 T A -0.7643
176 I A 0.0000
177 K A -1.9405
178 I A -0.9204
179 S A -1.0068
180 Y A -0.7149
181 N A -2.0814
182 N A 0.0000
183 T A -1.8469
184 N A -2.2157
185 R A -2.7554
186 E A -2.1284
187 D A 0.0000
188 L A 0.0000
189 L A 0.0000
190 I A 0.0000
191 L A 0.0000
192 W A 0.0000
193 G A 0.0000
194 I A 0.0000
195 H A 0.0000
196 H A 0.0000
197 S A 0.0000
198 N A 0.0000
199 N A -1.4181
200 A A -1.3980
201 E A -2.5079
202 E A -1.8339
203 Q A 0.0000
204 T A -2.1606
205 N A -2.2701
206 L A -1.5053
207 Y A 0.0000
208 K A -2.4871
209 N A -1.0692
210 P A -1.0183
211 T A -0.2989
212 T A 0.0000
213 Y A -0.3430
214 I A 0.0000
215 S A -1.6138
216 V A 0.0000
217 G A -1.2688
218 T A -0.8032
219 S A -0.7344
220 T A -0.4182
221 L A -0.4702
222 N A -1.8592
223 Q A -1.8080
224 R A -2.2530
225 L A -0.9667
226 T A -0.6256
227 P A -0.6461
228 K A -1.3749
229 I A -0.4789
230 A A -0.5105
231 T A -0.8894
232 R A -1.0366
233 S A -1.2479
234 Q A -1.7829
235 V A -0.6456
236 N A -1.4404
237 G A -1.4200
238 Q A -1.4958
239 R A -1.9784
240 G A 0.0000
241 R A -0.9274
242 M A 0.0000
243 D A -0.6063
244 F A 0.0000
245 F A -0.2327
246 W A 0.0716
247 T A 0.2688
248 I A 0.1347
249 L A 0.0000
250 K A -2.7483
251 P A -2.7962
252 D A -3.1094
253 D A -2.0578
254 A A -1.6175
255 I A 0.0000
256 H A -1.5689
257 F A 0.0000
258 E A -1.4481
259 S A 0.0000
260 N A -0.7326
261 G A 0.0000
262 N A 0.0000
263 F A 0.0000
264 I A 0.0000
265 A A 0.0000
266 P A 0.0000
267 E A 0.0000
268 Y A 0.7420
269 A A 0.0000
270 Y A 0.0000
271 K A -0.5935
272 I A 0.0000
273 V A -0.8902
274 K A -2.4432
275 K A -3.0518
276 G A -2.7468
277 D A -3.0963
278 S A 0.0000
279 T A -0.9141
280 I A -0.3638
281 M A 0.0000
282 K A -1.5816
283 S A -1.4500
284 G A -1.6663
285 V A -1.1608
286 E A -2.1421
287 Y A -1.2907
288 G A -1.3493
289 H A -1.6394
290 C A -1.2452
291 N A -2.3791
292 T A 0.0000
293 K A -3.2287
294 C A 0.0000
295 Q A 0.0000
296 T A 0.0000
297 P A 0.0000
298 V A -0.1855
299 G A 0.0000
300 A A 0.0000
301 I A 0.0000
302 N A -2.0011
303 S A -1.1959
304 S A -0.4562
305 M A -0.5495
306 P A 0.0000
307 F A 0.0000
308 H A 0.0000
309 N A -1.7724
310 I A -0.8093
311 H A -0.4834
312 P A -0.3409
313 L A 0.4780
314 T A -0.2046
315 I A 0.0000
316 G A -2.2218
317 E A -2.7294
318 C A -1.5640
319 P A -0.8972
320 K A -0.8350
321 Y A -0.5888
322 V A 0.0000
323 K A -2.5614
324 S A -2.2605
325 N A -2.7170
326 K A -2.9041
327 L A 0.0000
328 V A -1.1071
329 L A 0.0000
330 A A 0.0000
331 T A 0.0000
332 G A 0.0000
333 L A -0.4387
334 R A -1.2966
335 N A -1.3406
336 S A -1.0686
337 P A -0.8803
338 L A -0.4566
339 R A -2.9908
340 E A -4.2430
341 K A -4.6098
342 R A -4.9266
343 R A -4.7483
344 K A -4.1892
345 R A -2.9089
346 G A -0.5465
347 L A 2.2433
348 F A 2.9541
349 G A 1.4991
350 A A 2.7514
351 I A 3.3829
352 A A 1.7566
353 G A 1.1946
354 F A 2.1560
355 I A 2.1414
356 E A -0.5867
357 G A -0.4098
358 G A 0.5898
359 W A 0.9046
360 Q A -0.6248
361 G A 0.1569
362 M A 1.1892
363 V A 1.1575
364 D A -0.0003
365 G A 0.3182
366 W A 1.3930
367 Y A 1.5789
368 G A 0.4924
369 Y A 0.6436
370 H A -1.0020
371 H A -1.6764
372 S A -2.3008
373 N A -3.0147
374 E A -3.2299
375 Q A -2.8348
376 G A -2.4474
377 S A -1.6614
378 G A -0.4838
379 Y A 0.3248
380 A A -0.2674
381 A A -1.5148
382 D A -3.0224
383 K A -3.7304
384 E A -3.7575
385 S A -2.7125
386 T A -2.7094
387 Q A -3.1924
388 K A -3.2115
389 A A -1.9118
390 I A 0.0000
391 D A -2.5016
392 G A -2.2151
393 V A 0.0000
394 T A -1.7777
395 N A -2.2469
396 K A -1.9712
397 V A 0.0000
398 N A -1.7909
399 S A -1.6096
400 I A -1.1545
401 I A -1.6155
402 D A -2.9051
403 K A -2.7787
404 M A -1.9636
405 N A -2.3627
406 T A -2.2532
407 Q A -2.1145
408 F A -1.4342
409 E A -2.5395
410 A A -1.7680
411 V A -1.3314
412 G A -2.2625
413 R A -3.3976
414 E A -2.9684
415 F A -1.7302
416 N A -2.8026
417 N A -2.3655
418 L A -1.0955
419 E A -3.0733
420 R A -3.8256
421 R A -3.4296
422 I A -3.2082
423 E A -4.2224
424 N A -3.8130
425 L A -3.1319
426 N A -3.7156
427 K A -4.5262
428 K A -4.1422
429 M A -3.1348
430 E A -3.9795
431 D A -3.9213
432 G A -2.1548
433 F A -0.6421
434 L A -1.2654
435 D A -1.4769
436 V A 0.8053
437 W A 0.0000
438 T A 0.0000
439 Y A 0.8516
440 N A 0.4052
441 A A 0.0000
442 E A -0.4316
443 L A 0.4851
444 L A 0.0000
445 V A 0.0000
446 L A 0.1084
447 M A 0.4627
448 E A -0.2964
449 N A 0.0000
450 E A -0.3688
451 R A -0.5051
452 T A 0.0000
453 L A 0.0000
454 D A -0.5375
455 F A 0.4910
456 H A 0.0000
457 D A -1.4317
458 S A -1.4255
459 N A -1.9848
460 V A -1.3548
461 K A -2.4966
462 N A -2.4218
463 L A -1.2253
464 Y A -1.0393
465 D A -1.5287
466 K A -1.7790
467 V A 0.0000
468 R A -1.8390
469 L A -0.2571
470 Q A -1.2807
471 L A 0.0000
472 K A -2.3745
473 D A -2.2777
474 N A 0.0000
475 A A 0.0000
476 K A -2.4081
477 E A -2.0749
478 L A -0.7199
479 G A -1.3181
480 N A -1.6850
481 G A -0.9117
482 C A 0.0000
483 F A 0.0000
484 E A -1.6446
485 F A 0.0000
486 Y A -1.6442
487 H A 0.0000
488 K A -2.3413
489 C A 0.0000
490 D A -3.4196
491 N A -3.3150
492 E A -3.7195
493 C A 0.0000
494 M A -3.0992
495 E A -4.0630
496 S A -3.1041
497 V A 0.0000
498 R A -3.4321
499 N A -2.9567
500 G A -2.2104
501 T A -1.7865
502 Y A 0.0000
503 D A -2.1583
504 Y A -1.4717
505 P A -1.6090
506 Q A -2.1901
507 Y A -2.0674
508 S A -2.3391
509 E A -3.0463
510 E A -2.9691
511 A A 0.0000
512 R A -3.0839
513 L A -1.9269
514 K A -2.5032
515 R A -2.6276
516 E A -2.6308
517 E A -2.0710
518 I A 0.1053
519 S A -0.7547
520 G A -0.6315
521 V A 0.6277
522 K A -0.6090
523 L A 0.4332
524 E A -1.1483
525 S A -0.0375
526 V A 1.6109
527 G A 0.8038
528 T A 1.2433
529 Y A 2.1721
530 Q A 1.5032
531 I A 2.6168
532 L A 3.0265
533 S A 2.1596
534 I A 3.2152
535 Y A 2.7191
536 S A 1.5843
537 T A 1.2286
538 A A 1.3829
539 A A 1.1515
540 S A 0.6563
541 S A 1.2489
542 L A 2.5547
543 A A 2.3691
544 L A 2.8159
545 A A 2.7449
546 I A 3.6254
547 M A 3.3878
548 M A 3.0454
549 A A 2.3862
550 G A 2.3577
551 L A 2.6134
552 S A 2.2047
553 L A 2.6518
554 W A 2.0990
555 M A 1.1950
556 C A 0.9796
557 S A 0.2135
558 N A -0.8226
559 G A -0.8406
560 S A -0.3042
561 L A 0.3203
562 Q A -0.7636
563 C A 0.3816
564 R A -0.3125
565 I A 1.8838
566 C A 1.6686
567 I A 1.5524
568 K A -1.1340
569 G A -1.6572
570 E A -2.3861
571 N A -1.1046
572 L A 1.4813
573 Y A 2.0418
574 F A 2.0426
575 Q A -0.1567
576 G A -1.1600
577 H A -1.9360
578 H A -2.2805
579 H A -2.4212
580 H A -2.4142
581 H A -2.1997
582 H A -1.6869
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Laboratory of Theory of Biopolymers 2018