Project name: D1171V_4D

Status: done

Started: 2026-05-15 06:34:27
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode Yes
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 minimization                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:28:22)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:44:17)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:45:32)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:46:44)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:47:53)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:49:01)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:50:12)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:51:23)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:52:33)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:53:45)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:54:53)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:56:08)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:57:18)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:58:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (21:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (21:01:59)
Show buried residues

Minimal score value
-4.8479
Maximal score value
6.014
Average score
-0.5892
Total score value
-1367.6047

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.9128
2 G A 0.0000
3 P A -0.5303
4 G A -0.7114
5 A A -0.8549
6 R A -1.7914
7 G A -2.1766
8 R A -3.2899
9 R A -4.3325
10 R A -4.4046
11 R A -4.8479
12 R A -4.3433
13 R A -3.2961
14 P A -1.8410
15 M A -0.5457
16 S A 0.0172
17 P A 0.0000
18 P A 0.4512
19 P A 0.1781
20 P A 0.0000
21 P A -0.7346
22 P A -1.0052
23 P A -1.0633
24 V A 0.0000
25 R A -2.5419
26 A A -1.3313
27 L A 0.0000
28 P A 0.8771
29 L A 2.1953
30 L A 3.0934
31 L A 3.0348
32 L A 2.6425
33 L A 2.5440
34 A A 0.0000
35 G A 0.8887
36 P A 0.3505
37 G A -0.5704
38 A A -0.8372
39 A A -1.3489
40 A A -1.3158
41 P A -1.1451
42 P A -0.8650
43 C A -0.1687
44 L A 0.5081
45 D A -0.5377
46 G A -0.6696
47 S A -0.8295
48 P A -0.7689
49 C A -1.1168
50 A A -1.5378
51 N A -1.8362
52 G A -1.4005
53 G A -1.2001
54 R A -1.5908
55 C A -0.3595
56 T A -0.4870
57 Q A -1.3126
58 L A -0.0676
59 P A -0.7718
60 S A -1.6636
61 R A -2.3128
62 E A -2.5525
63 A A -1.0913
64 A A 0.0000
65 C A 0.0000
66 L A 0.8244
67 C A -0.1828
68 P A -0.5609
69 P A -0.3514
70 G A -0.8957
71 W A 0.0000
72 V A 0.0000
73 G A -0.1989
74 E A -0.3772
75 R A 0.0000
76 C A -0.4543
77 Q A 0.0000
78 L A 0.0000
79 E A -1.2151
80 D A -1.0036
81 P A -0.8499
82 C A 0.0000
83 H A -0.4559
84 S A -0.4720
85 G A 0.0000
86 P A -0.1950
87 C A 0.0000
88 A A 0.0000
89 G A -0.1559
90 R A -0.6408
91 G A -0.3527
92 V A 0.5805
93 C A 0.0810
94 Q A -1.1851
95 S A -0.9019
96 S A -0.9906
97 V A -0.5700
98 V A -0.2707
99 A A 0.0000
100 G A 0.0000
101 T A -0.6781
102 A A 0.0000
103 R A -1.7191
104 F A -0.8512
105 S A -0.7362
106 C A -0.6763
107 R A -1.7438
108 C A 0.0000
109 P A -0.6752
110 R A -0.9001
111 G A 0.1324
112 F A 0.9925
113 R A -0.1600
114 G A -0.5543
115 P A -0.7382
116 D A -0.6649
117 C A -0.6201
118 S A 0.0000
119 L A 0.0000
120 P A -0.9557
121 D A 0.0000
122 P A -0.1120
123 C A 0.2453
124 L A 0.2729
125 S A -0.2371
126 S A -0.7563
127 P A -0.7637
128 C A 0.0000
129 A A -1.0311
130 H A -1.5461
131 G A -1.2578
132 A A -1.5182
133 R A -1.7805
134 C A -0.7963
135 S A -0.4001
136 V A 0.0000
137 G A 0.0000
138 P A -1.8516
139 D A -2.7834
140 G A -2.1155
141 R A -2.0722
142 F A -0.9620
143 L A -0.6475
144 C A 0.0000
145 S A -1.2061
146 C A -1.4881
147 P A -0.9910
148 P A -0.6677
149 G A -0.0619
150 Y A 0.0176
151 Q A 0.0000
152 G A -1.5710
153 R A -2.8225
154 S A -1.7580
155 C A -1.6221
156 R A -2.8939
157 S A -1.8251
158 D A -0.7340
159 V A 0.8000
160 D A 0.1835
161 E A 0.0000
162 C A 0.0000
163 R A -2.3167
164 V A -0.9857
165 G A -0.9022
166 E A -1.5941
167 P A -1.7059
168 C A 0.0000
169 R A -2.6804
170 H A -2.1867
171 G A -1.4089
172 G A -1.0929
173 T A -0.6226
174 C A 0.0000
175 L A 0.0000
176 N A -0.3207
177 T A -0.1018
178 P A -0.1924
179 G A -0.0436
180 S A -0.0083
181 F A 0.0000
182 R A -0.4117
183 C A 0.0000
184 Q A -0.1774
185 C A 0.0000
186 P A 0.0000
187 A A -0.0061
188 G A 0.0000
189 Y A 0.3019
190 T A -0.1428
191 G A -0.5999
192 P A -0.2671
193 L A -0.0389
194 C A 0.0000
195 E A -2.2136
196 N A 0.0000
197 P A -0.6738
198 A A -0.1995
199 V A -0.0739
200 P A -0.0840
201 C A 0.1418
202 A A 0.0000
203 P A -0.3324
204 S A 0.0000
205 P A 0.0000
206 C A 0.0000
207 R A -1.4901
208 N A -2.1234
209 G A -1.4090
210 G A -1.2580
211 T A -1.1014
212 C A -0.9815
213 R A -2.1736
214 Q A -1.3638
215 S A -0.8317
216 G A -1.0794
217 D A -1.2485
218 L A 0.5011
219 T A -0.4470
220 Y A -0.9812
221 D A -1.4113
222 C A -0.8663
223 A A -0.5309
224 C A -0.3612
225 L A 0.0000
226 P A -0.9673
227 G A -1.2387
228 F A -0.8289
229 E A -2.5361
230 G A -1.8601
231 Q A -2.5089
232 N A -2.0652
233 C A -1.1123
234 E A -1.9109
235 V A 0.0000
236 N A -1.6745
237 V A 0.0000
238 D A -1.9861
239 D A 0.0000
240 C A -1.2451
241 P A -1.2129
242 G A -1.2396
243 H A -0.9830
244 R A 0.0000
245 C A -0.6444
246 L A 0.0000
247 N A -1.8418
248 G A -1.2709
249 G A -1.0721
250 T A -0.5627
251 C A 0.0000
252 V A -0.4908
253 D A 0.0000
254 G A -0.9854
255 V A 0.0000
256 N A -1.6572
257 T A -0.6406
258 Y A 0.0147
259 N A -0.9216
260 C A -0.1068
261 Q A -0.2768
262 C A 0.0000
263 P A -1.1572
264 P A -1.3747
265 E A -1.5480
266 W A -1.1574
267 T A -0.9182
268 G A -0.8962
269 Q A -0.7460
270 F A 1.0180
271 C A 0.0000
272 T A -1.2449
273 E A -1.9720
274 D A -1.4848
275 V A -0.8681
276 D A 0.0000
277 E A -1.6804
278 C A 0.0000
279 Q A -0.9649
280 L A -0.0022
281 Q A -1.3463
282 P A -1.0562
283 N A -1.2529
284 A A -0.8204
285 C A -1.0436
286 H A -1.5902
287 N A -1.6346
288 G A -1.3788
289 G A -1.0746
290 T A 0.0000
291 C A 0.0301
292 F A 0.5958
293 N A -0.4429
294 T A -0.0596
295 L A 0.7469
296 G A 0.1142
297 G A -0.5797
298 H A -0.9512
299 S A -0.4750
300 C A -0.4052
301 V A 0.0000
302 C A 0.0000
303 V A 0.0000
304 N A -0.1605
305 G A -0.2749
306 W A -0.2026
307 T A -0.8105
308 G A -1.6525
309 E A -2.2239
310 S A -1.6870
311 C A -1.5811
312 S A -1.3211
313 Q A -1.5542
314 N A -0.8110
315 I A 0.0420
316 D A -0.5066
317 D A 0.0000
318 C A -0.1707
319 A A 0.3394
320 T A 0.4519
321 A A 1.1365
322 V A 1.5668
323 C A 1.1252
324 F A 1.5874
325 H A -0.1127
326 G A -0.1064
327 A A 0.5264
328 T A 0.2032
329 C A -0.0681
330 H A -1.2025
331 D A -1.5028
332 R A -1.5214
333 V A -0.4597
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.2149
338 C A 0.0000
339 A A 0.5680
340 C A 0.4049
341 P A -0.1401
342 M A -0.3742
343 G A -1.4483
344 K A -1.7428
345 T A -0.8814
346 G A -0.5237
347 L A 0.3303
348 L A 0.0000
349 C A 0.4333
350 H A -1.1968
351 L A 0.0000
352 D A 0.0000
353 D A -0.7157
354 A A 0.0000
355 C A 0.0000
356 V A 1.4046
357 S A 0.5618
358 N A 0.4492
359 P A -0.5158
360 C A 0.0000
361 H A -2.2431
362 E A -2.9250
363 D A -2.5344
364 A A -0.9222
365 I A 1.2250
366 C A 0.5931
367 D A -0.3925
368 T A -0.7090
369 N A 0.0000
370 P A -0.5973
371 V A 0.1366
372 N A -0.8956
373 G A -1.5477
374 R A -1.9879
375 A A 0.0000
376 I A 0.5341
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A 0.3273
381 P A -0.0103
382 G A 0.0784
383 F A 0.0000
384 T A -0.7204
385 G A -0.9667
386 G A -0.8471
387 A A -0.3514
388 C A -0.8000
389 D A -1.4642
390 Q A -1.3782
391 D A -1.1714
392 V A 0.4509
393 D A -0.3900
394 E A -0.2028
395 C A 0.0000
396 S A 0.5139
397 I A 1.3798
398 G A 0.5752
399 A A 0.8067
400 N A 0.0000
401 P A 0.0000
402 C A 0.0000
403 E A 0.0000
404 H A -1.0997
405 L A -0.3582
406 G A -1.0227
407 R A -1.4926
408 C A 0.0966
409 V A 0.3362
410 N A -0.2807
411 T A -0.7330
412 Q A -1.5972
413 G A 0.0000
414 S A -0.4150
415 F A 0.3112
416 L A 0.8148
417 C A 0.0148
418 Q A -1.0259
419 C A -0.8400
420 G A -1.3654
421 R A -2.3050
422 G A -1.3643
423 Y A -0.2930
424 T A -0.8273
425 G A -0.6800
426 P A -0.7543
427 R A -0.8633
428 C A 0.0000
429 E A -1.6276
430 T A -1.6196
431 D A -2.2947
432 V A -2.0683
433 N A -1.8643
434 E A -1.4895
435 C A -0.2815
436 L A 0.0727
437 S A -0.3801
438 G A -0.2272
439 P A -0.3776
440 C A 0.0000
441 R A -2.0202
442 N A -1.9266
443 Q A -1.6959
444 A A 0.0000
445 T A 0.2738
446 C A 0.5723
447 L A 0.6759
448 D A -1.2907
449 R A -1.7969
450 I A -0.1882
451 G A -1.4372
452 Q A -1.6864
453 F A -0.2499
454 T A 0.3176
455 C A 1.4429
456 I A 2.6073
457 C A 1.2950
458 M A 1.2011
459 A A 0.2466
460 G A -0.5410
461 F A -0.1746
462 T A -0.4404
463 G A 0.0653
464 T A 0.0093
465 Y A 1.0540
466 C A 0.0000
467 E A -1.0075
468 V A 0.0000
469 D A -1.4873
470 I A 0.0000
471 D A -2.6411
472 E A -2.0017
473 C A -1.0560
474 Q A -0.7947
475 S A -0.2924
476 S A 0.1090
477 P A -0.1727
478 C A 0.2434
479 V A 0.5176
480 N A -0.8025
481 G A -0.5086
482 G A 0.0621
483 V A 0.6151
484 C A -0.5524
485 K A -2.3046
486 D A -2.7801
487 R A -2.6095
488 V A -0.5341
489 N A -0.9948
490 G A -1.4913
491 F A 0.0000
492 S A -1.2734
493 C A 0.0000
494 T A -0.1496
495 C A 0.0000
496 P A -0.3951
497 S A -1.5191
498 G A -2.0190
499 F A -1.1537
500 S A -0.8084
501 G A 0.0000
502 S A -0.5548
503 T A -0.6793
504 C A 0.0000
505 Q A -1.2079
506 L A -0.9100
507 D A -2.2294
508 V A 0.0000
509 D A -3.8816
510 E A -3.5077
511 C A 0.0000
512 A A -1.2776
513 S A -0.7842
514 T A -0.5023
515 P A -0.1411
516 C A -0.9112
517 R A -2.5732
518 N A -2.6770
519 G A -2.0834
520 A A -2.2375
521 K A -2.5347
522 C A -1.4306
523 V A -1.3006
524 D A -2.2730
525 Q A -2.5350
526 P A -2.6246
527 D A -3.3563
528 G A -1.9039
529 Y A -1.1851
530 E A -1.9750
531 C A -1.1585
532 R A -2.3334
533 C A -1.8539
534 A A -2.0021
535 E A -2.2092
536 G A -1.2475
537 F A 0.2736
538 E A -0.3332
539 G A -0.1030
540 T A 0.8812
541 L A 1.7004
542 C A 1.1386
543 D A 0.0000
544 R A -1.5869
545 N A -1.0310
546 V A -0.5321
547 D A -1.9050
548 D A -1.6027
549 C A -0.9241
550 S A -1.2084
551 P A -1.6842
552 D A -2.4671
553 P A -2.2715
554 C A 0.0000
555 H A -2.1732
556 H A -1.4050
557 G A -1.5781
558 R A -1.8529
559 C A -0.4912
560 V A -0.0218
561 D A -0.2470
562 G A 0.9208
563 I A 2.1745
564 A A 0.9813
565 S A 0.5093
566 F A 1.0989
567 S A 0.0000
568 C A 0.0000
569 A A -0.8191
570 C A 0.0000
571 A A -0.6976
572 P A -0.5639
573 G A -1.0067
574 Y A 0.0000
575 T A -0.9150
576 G A -0.7074
577 T A -0.5839
578 R A 0.0000
579 C A -1.8990
580 E A -2.6366
581 S A -1.4545
582 Q A -1.4105
583 V A -0.9792
584 D A -1.7313
585 E A -1.8799
586 C A 0.0000
587 R A -2.0493
588 S A -1.8539
589 Q A -2.5339
590 P A -2.0566
591 C A 0.0000
592 R A -2.0741
593 H A -1.7025
594 G A -1.4677
595 G A -1.5930
596 K A -1.5332
597 C A -0.7267
598 L A 0.3776
599 D A -0.2930
600 L A 1.0315
601 V A 1.3571
602 D A -0.7044
603 K A -1.1840
604 Y A -0.8330
605 L A -0.6036
606 C A 0.0000
607 R A -1.9270
608 C A -1.6283
609 P A -1.0094
610 S A -0.6514
611 G A -0.7554
612 T A -0.1227
613 T A -0.2047
614 G A -0.1933
615 V A -0.4162
616 N A -1.4253
617 C A -1.3608
618 E A -0.4579
619 V A 1.1893
620 N A 0.0000
621 I A 0.3935
622 D A -1.4697
623 D A -1.6032
624 C A -1.1801
625 A A -0.8096
626 S A -0.6795
627 N A -0.6811
628 P A -0.4507
629 C A 0.4786
630 T A 0.6899
631 F A 1.2389
632 G A 0.6180
633 V A 0.4513
634 C A -0.3427
635 R A -2.0687
636 D A -1.9011
637 G A 0.0000
638 I A -0.1548
639 N A -1.8791
640 R A -2.6324
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1997 N A -0.8050
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2260 P A -0.3450
2261 P A -0.1936
2262 S A -0.2494
2263 L A 0.4714
2264 S A -0.0006
2265 D A -1.1420
2266 W A 0.0000
2267 S A -1.2864
2268 E A -1.5217
2269 S A -0.9454
2270 T A -0.5512
2271 P A -0.3881
2272 S A -0.4994
2273 P A -0.4855
2274 A A -0.2661
2275 T A -0.2274
2276 A A -0.1733
2277 T A -0.2694
2278 G A -0.3623
2279 A A 0.1037
2280 M A 0.6354
2281 A A 0.3514
2282 T A 0.0000
2283 T A -0.8161
2284 T A 0.0000
2285 G A 0.0000
2286 A A 0.0000
2287 L A -2.4929
2288 P A -1.6892
2289 A A -0.5644
2290 Q A -0.6141
2291 P A -0.3892
2292 L A 0.1442
2293 P A 0.1356
2294 L A 0.6563
2295 S A 0.2524
2296 V A 0.5104
2297 P A 0.2019
2298 S A 0.0501
2299 S A 0.0165
2300 L A 0.0911
2301 A A -0.3378
2302 Q A -0.6284
2303 A A -0.7963
2304 Q A -1.3628
2305 T A -0.5920
2306 Q A -0.3134
2307 L A 1.0300
2308 G A 0.3598
2309 P A -0.3005
2310 Q A -1.1093
2311 P A -1.3678
2312 E A -2.1342
2313 V A 0.0000
2314 T A -1.9740
2315 P A -2.2710
2316 K A -3.0386
2317 R A -3.4672
2318 Q A -2.7417
2319 V A -1.4585
2320 L A -0.8603
2321 A A -0.5651
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CABS-flex predictions of flexibility of input structure

In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted by CABS-flex method, models are numbered from 0 to 11) and the input model. Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.5892 in this case) with the input model (the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).

Model
Average A4D Score
model_2 -0.5892 View CSV PDB
model_0 -0.6081 View CSV PDB
model_4 -0.6213 View CSV PDB
model_1 -0.6242 View CSV PDB
model_7 -0.6249 View CSV PDB
model_6 -0.6326 View CSV PDB
CABS_average -0.6346 View CSV PDB
model_5 -0.6377 View CSV PDB
model_10 -0.6448 View CSV PDB
model_3 -0.6528 View CSV PDB
model_9 -0.6587 View CSV PDB
model_8 -0.6589 View CSV PDB
model_11 -0.6624 View CSV PDB
input -0.7568 View CSV PDB