Project name: V237M_4D

Status: done

Started: 2026-05-15 06:37:31
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNMDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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 minimization                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:17:52)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (16:34:30)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (16:35:31)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (16:36:32)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (16:37:30)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (16:38:29)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (16:39:29)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (16:40:24)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (16:41:25)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (16:42:26)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (16:43:26)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (16:44:30)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (16:45:26)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (16:46:25)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (16:48:21)
[INFO]       Main:     Simulation completed successfully.                                          (16:49:20)
Show buried residues

Minimal score value
-4.1577
Maximal score value
5.2816
Average score
-0.5945
Total score value
-1379.8047

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 -0.8189
2 G A -0.9856
3 P A -1.0063
4 G A -1.4992
5 A A -1.5689
6 R A -2.4494
7 G A -2.2686
8 R A -3.1212
9 R A -3.0364
10 R A -3.9923
11 R A -4.0560
12 R A -3.3973
13 R A -2.1399
14 P A -0.9349
15 M A -0.8325
16 S A -0.8224
17 P A -0.6669
18 P A -0.9775
19 P A 0.0000
20 P A 0.0000
21 P A -0.0829
22 P A -0.2185
23 P A -0.1047
24 V A 0.5878
25 R A -1.0369
26 A A -0.5369
27 L A 0.2701
28 P A 0.6242
29 L A 1.3286
30 L A 2.3944
31 L A 2.3822
32 L A 1.2706
33 L A 0.8390
34 A A 0.6740
35 G A -0.0766
36 P A -0.4857
37 G A -0.6499
38 A A -0.3870
39 A A -0.1700
40 A A -0.7661
41 P A -0.6352
42 P A -0.3558
43 C A -0.4299
44 L A 0.5621
45 D A -1.3085
46 G A -1.0976
47 S A -0.7729
48 P A -0.5258
49 C A -0.2318
50 A A -0.0341
51 N A -0.7468
52 G A -1.0964
53 G A -0.9922
54 R A -0.5936
55 C A -0.5535
56 T A 0.0000
57 Q A -2.3584
58 L A 0.0000
59 P A -2.0396
60 S A -0.1940
61 R A -1.2733
62 E A -2.1188
63 A A -1.3395
64 A A 0.0000
65 C A 0.0000
66 L A -0.3266
67 C A 0.0000
68 P A 0.0000
69 P A -0.6220
70 G A -0.7380
71 W A -0.4496
72 V A -0.7820
73 G A -1.2252
74 E A -2.0968
75 R A -2.6341
76 C A 0.0000
77 Q A -1.6026
78 L A 0.0000
79 E A -1.9664
80 D A -2.4544
81 P A -1.3048
82 C A -0.3332
83 H A -1.0055
84 S A -0.8465
85 G A -0.5145
86 P A -0.4951
87 C A -0.2704
88 A A -0.7237
89 G A -1.8437
90 R A -2.2520
91 G A -1.1665
92 V A 0.6839
93 C A -0.0790
94 Q A -0.6527
95 S A -0.4301
96 S A -0.4816
97 V A -0.1083
98 V A 0.7369
99 A A -0.1783
100 G A -0.6776
101 T A -0.4584
102 A A -0.9883
103 R A -1.6583
104 F A -0.8083
105 S A -0.4083
106 C A 0.0000
107 R A -1.5665
108 C A 0.0000
109 P A -2.0719
110 R A -2.9441
111 G A -1.8801
112 F A -1.8700
113 R A -2.5612
114 G A -1.8247
115 P A -1.1775
116 D A -1.2213
117 C A -0.7207
118 S A -0.9226
119 L A -0.9697
120 P A -1.5827
121 D A -1.4428
122 P A -0.3646
123 C A 0.7235
124 L A 1.3652
125 S A 0.5574
126 S A -0.0417
127 P A -0.5884
128 C A 0.0000
129 A A -0.7665
130 H A -1.4401
131 G A -1.1808
132 A A -1.1262
133 R A -1.2394
134 C A -0.5920
135 S A -0.8918
136 V A 0.0000
137 G A -0.9333
138 P A -1.5077
139 D A -2.7221
140 G A -2.0821
141 R A -2.5384
142 F A -0.6974
143 L A -0.1531
144 C A 0.0000
145 S A -1.0721
146 C A -1.4813
147 P A -1.4954
148 P A -1.0762
149 G A -1.1591
150 Y A -1.6272
151 Q A -2.1338
152 G A -2.1485
153 R A -2.2328
154 S A -1.3342
155 C A 0.0000
156 R A -2.6108
157 S A -2.0165
158 D A -1.4235
159 V A 0.3393
160 D A -0.6670
161 E A -1.0815
162 C A -0.5193
163 R A -1.5962
164 V A -0.9283
165 G A -1.1351
166 E A -1.8353
167 P A -1.8336
168 C A 0.0000
169 R A -2.8527
170 H A -2.4336
171 G A -1.5688
172 G A -1.2871
173 T A 0.0000
174 C A -0.8683
175 L A -0.5098
176 N A -1.3874
177 T A -1.0866
178 P A -1.0221
179 G A -1.4425
180 S A -0.7313
181 F A -0.5844
182 R A -1.4954
183 C A 0.0000
184 Q A -1.5621
185 C A 0.0000
186 P A -0.6565
187 A A -0.4871
188 G A -0.7440
189 Y A 0.0000
190 T A -1.0130
191 G A 0.0000
192 P A -0.5990
193 L A 0.4581
194 C A 0.0000
195 E A -1.7403
196 N A -1.6425
197 P A -0.8529
198 A A -0.6821
199 V A -0.6448
200 P A -0.9315
201 C A 0.0000
202 A A -0.3099
203 P A -0.3959
204 S A -0.9850
205 P A -0.9139
206 C A 0.0000
207 R A -2.5150
208 N A -2.0483
209 G A -1.5870
210 G A -1.5372
211 T A -1.6025
212 C A -1.9732
213 R A -2.7254
214 Q A -2.0272
215 S A -1.6681
216 G A -1.3640
217 D A -1.6694
218 L A 0.1284
219 T A -0.6078
220 Y A -1.3984
221 D A -2.2483
222 C A -1.7836
223 A A -1.2850
224 C A 0.0000
225 L A 0.0000
226 P A -0.9083
227 G A -0.7369
228 F A -0.9694
229 E A -2.1050
230 G A -1.9261
231 Q A -2.0687
232 N A -2.2528
233 C A -1.9258
234 E A -1.5329
235 V A -0.6373
236 N A -0.8595
237 M A -0.1655
238 D A -0.7269
239 D A -1.6338
240 C A 0.0000
241 P A -1.1563
242 G A -1.1705
243 H A -1.0603
244 R A -1.8559
245 C A -0.7220
246 L A -0.1170
247 N A -1.2973
248 G A -0.9280
249 G A -0.8238
250 T A 0.0000
251 C A -0.2423
252 V A 0.3340
253 D A -0.6487
254 G A -0.3302
255 V A -0.2946
256 N A -1.2032
257 T A -0.5677
258 Y A -0.5121
259 N A -1.0137
260 C A -0.3888
261 Q A -0.9648
262 C A -1.1551
263 P A -0.6790
264 P A -1.2466
265 E A -2.0581
266 W A -0.7459
267 T A -0.3568
268 G A -0.4112
269 Q A -0.4100
270 F A 0.6428
271 C A 0.0000
272 T A -0.8786
273 E A -1.4516
274 D A -1.8830
275 V A -0.9391
276 D A -1.4083
277 E A -0.8673
278 C A -0.7213
279 Q A -1.3797
280 L A -0.7846
281 Q A -1.5607
282 P A -1.2076
283 N A -1.5645
284 A A -0.9597
285 C A -0.9811
286 H A -1.6343
287 N A -2.1534
288 G A -1.1126
289 G A -0.4511
290 T A 0.3103
291 C A 0.5155
292 F A 1.4777
293 N A 0.1848
294 T A 0.5455
295 L A 0.9763
296 G A 0.3135
297 G A 0.0704
298 H A -0.4442
299 S A -0.0834
300 C A 0.0000
301 V A 0.2284
302 C A 0.0000
303 V A -0.4616
304 N A -1.4053
305 G A 0.0000
306 W A -0.3538
307 T A 0.0000
308 G A 0.0000
309 E A -1.5227
310 S A 0.0000
311 C A -1.0383
312 S A -1.3239
313 Q A -1.9473
314 N A -1.8454
315 I A -1.1043
316 D A -1.2111
317 D A -0.8398
318 C A -0.0840
319 A A 0.0000
320 T A 1.3608
321 A A 1.3556
322 V A 1.9430
323 C A 1.9657
324 F A 1.3409
325 H A 0.3087
326 G A -0.1671
327 A A 0.0000
328 T A -0.2215
329 C A 0.0316
330 H A -1.1229
331 D A -2.3461
332 R A -2.2168
333 V A -1.1728
334 A A -0.8748
335 S A -0.5944
336 F A -0.1333
337 Y A 0.6573
338 C A 1.0484
339 A A 0.1871
340 C A 0.1521
341 P A 0.0000
342 M A 0.0000
343 G A 0.0578
344 K A 0.0000
345 T A 0.5678
346 G A 0.8268
347 L A 2.3734
348 L A 2.8337
349 C A 0.0000
350 H A 0.0000
351 L A 1.3953
352 D A 0.0572
353 D A -0.2548
354 A A -0.6261
355 C A 0.1118
356 V A 0.3900
357 S A 0.0000
358 N A -0.6901
359 P A -0.8550
360 C A 0.0000
361 H A 0.0000
362 E A -1.4332
363 D A -1.7105
364 A A -0.2242
365 I A 1.2978
366 C A 0.5929
367 D A -0.7957
368 T A -0.9748
369 N A 0.0000
370 P A -0.4556
371 V A 0.6874
372 N A -1.2056
373 G A -1.4385
374 R A -2.2532
375 A A -1.2265
376 I A -0.1481
377 C A 0.0000
378 T A 0.1580
379 C A 0.0000
380 P A -0.7674
381 P A -0.8589
382 G A -0.9044
383 F A -1.2657
384 T A -0.6049
385 G A -0.6057
386 G A -0.1066
387 A A 0.0000
388 C A 0.0000
389 D A -0.3464
390 Q A -0.5924
391 D A -1.4432
392 V A -0.9959
393 D A -1.4717
394 E A -1.8189
395 C A -0.4959
396 S A -0.2098
397 I A -0.5463
398 G A 0.0000
399 A A -0.9897
400 N A -1.3332
401 P A -0.8955
402 C A -1.0508
403 E A -2.1653
404 H A -2.1468
405 L A 0.0000
406 G A -1.4517
407 R A -1.5080
408 C A 0.0000
409 V A 1.3249
410 N A 0.5006
411 T A 0.2307
412 Q A -0.5577
413 G A 0.0000
414 S A 0.2571
415 F A 1.2597
416 L A 1.4831
417 C A 0.4528
418 Q A -1.0040
419 C A -1.5333
420 G A -1.5039
421 R A -2.1529
422 G A -1.0514
423 Y A 0.0987
424 T A 0.0000
425 G A 0.0000
426 P A -0.5505
427 R A -1.3426
428 C A -0.6726
429 E A -1.3654
430 T A 0.0000
431 D A -0.8678
432 V A 0.0000
433 N A -0.0403
434 E A -0.0943
435 C A 0.0000
436 L A -0.4028
437 S A -0.2511
438 G A -0.1260
439 P A -0.0419
440 C A 0.0000
441 R A -0.2633
442 N A 0.0000
443 Q A 0.3803
444 A A 0.7414
445 T A 0.7828
446 C A 0.0000
447 L A 0.9955
448 D A 0.0000
449 R A 0.6648
450 I A 1.2339
451 G A 0.2038
452 Q A 0.3862
453 F A 1.9905
454 T A 1.4356
455 C A 1.8077
456 I A 2.0530
457 C A 1.4449
458 M A 1.5302
459 A A 0.8007
460 G A 0.0247
461 F A 0.7444
462 T A -0.0590
463 G A 0.0644
464 T A 0.4202
465 Y A 1.5469
466 C A 0.0000
467 E A -0.0664
468 V A 0.0000
469 D A -1.1702
470 I A -1.0685
471 D A -3.1002
472 E A -2.6857
473 C A -1.8442
474 Q A -1.3125
475 S A -0.5647
476 S A 0.0000
477 P A -0.1640
478 C A -0.2296
479 V A -0.4497
480 N A -1.3223
481 G A -0.9138
482 G A -0.6612
483 V A -0.3808
484 C A -1.3988
485 K A -3.2104
486 D A -4.1554
487 R A -3.3982
488 V A 0.0000
489 N A 0.0000
490 G A -1.5070
491 F A 0.0000
492 S A -1.6821
493 C A 0.0000
494 T A -0.3663
495 C A 0.0000
496 P A -0.3403
497 S A 0.0000
498 G A 0.0000
499 F A 0.2143
500 S A 0.0000
501 G A 0.0000
502 S A -0.0959
503 T A 0.0000
504 C A 0.0000
505 Q A 0.3271
506 L A 0.8144
507 D A 0.4470
508 V A 0.4525
509 D A 0.0000
510 E A 0.0000
511 C A -0.4313
512 A A -0.6808
513 S A -0.6448
514 T A 0.0000
515 P A 0.0000
516 C A -1.6169
517 R A -2.5748
518 N A -2.3934
519 G A -1.9494
520 A A 0.0000
521 K A -2.5431
522 C A -1.4434
523 V A -0.2055
524 D A -0.7798
525 Q A -1.6755
526 P A -1.0809
527 D A -1.2898
528 G A -1.0996
529 Y A -0.9558
530 E A -2.1338
531 C A -2.0160
532 R A -2.8100
533 C A -1.8181
534 A A -0.6248
535 E A -0.8725
536 G A -0.3499
537 F A 0.5234
538 E A -0.4638
539 G A -0.3141
540 T A -0.1362
541 L A 1.0164
542 C A 0.5958
543 D A -0.8186
544 R A -1.5543
545 N A -0.9117
546 V A -0.8659
547 D A -1.9677
548 D A -1.8909
549 C A -2.0778
550 S A -1.7029
551 P A -1.8664
552 D A -2.4889
553 P A -1.7794
554 C A 0.0000
555 H A -2.4730
556 H A -2.4017
557 G A -1.8152
558 R A -2.1172
559 C A -1.4069
560 V A 0.3190
561 D A -0.6822
562 G A -0.0559
563 I A 1.1343
564 A A 0.6045
565 S A 0.7813
566 F A 0.0149
567 S A -0.2661
568 C A -1.2156
569 A A -0.9534
570 C A -1.1645
571 A A -0.6691
572 P A -0.4419
573 G A -0.3064
574 Y A -0.5129
575 T A -0.9027
576 G A -1.5558
577 T A -1.6074
578 R A -2.8516
579 C A -2.1893
580 E A -2.6200
581 S A -1.7971
582 Q A -1.5868
583 V A -0.8243
584 D A -1.6498
585 E A -1.8523
586 C A 0.0000
587 R A -2.3692
588 S A -1.6012
589 Q A -1.5391
590 P A -1.1154
591 C A -1.4288
592 R A -1.6027
593 H A -1.8073
594 G A -1.7810
595 G A -2.0861
596 K A -2.5078
597 C A -1.3833
598 L A -0.1276
599 D A 0.0000
600 L A 1.1468
601 V A 0.7160
602 D A -1.5486
603 K A -1.1180
604 Y A -0.8346
605 L A -0.4061
606 C A -1.1764
607 R A -1.9586
608 C A 0.0000
609 P A -1.1685
610 S A 0.0000
611 G A -0.0068
612 T A 0.3436
613 T A 0.5435
614 G A 0.3006
615 V A 1.1925
616 N A -0.2667
617 C A -0.0380
618 E A 0.4444
619 V A 1.4407
620 N A 0.7102
621 I A 1.4636
622 D A 0.0000
623 D A -0.9406
624 C A -0.2944
625 A A -0.5034
626 S A -0.5837
627 N A -0.8796
628 P A -0.2912
629 C A 0.9322
630 T A 1.3195
631 F A 2.3933
632 G A 1.8631
633 V A 2.4837
634 C A 1.1863
635 R A -0.8394
636 D A -0.5493
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1969 D A -3.2520
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1973 E A -2.4414
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A -1.5235
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -3.3021
1982 E A -2.7424
1983 G A -1.6704
1984 S A 0.0000
1985 Y A 0.0075
1986 E A -0.3795
1987 A A 0.0000
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1990 L A -0.5413
1991 L A 0.0000
1992 L A -1.0507
1993 D A -2.1281
1994 H A -1.8331
1995 F A -1.0540
1996 A A -1.2988
1997 N A -1.7591
1998 R A 0.0000
1999 E A -1.8384
2000 I A 0.0000
2001 T A -2.7248
2002 D A -3.0310
2003 H A -2.8062
2004 L A 0.0000
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2006 R A -2.4354
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2008 P A 0.0000
2009 R A -2.9412
2010 D A -2.6534
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.0816
2015 R A -2.8528
2016 L A -0.6945
2017 H A -2.1849
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2255 W A 0.4617
2256 A A 0.1874
2257 S A 0.0000
2258 P A 0.4663
2259 S A 0.0000
2260 P A 0.0000
2261 P A 0.3336
2262 S A 0.5397
2263 L A 1.0684
2264 S A 0.1520
2265 D A -0.1886
2266 W A 0.0000
2267 S A -0.1020
2268 E A -0.1204
2269 S A 0.0000
2270 T A -0.0117
2271 P A -0.0325
2272 S A -0.4566
2273 P A -0.8734
2274 A A -0.9685
2275 T A -0.9562
2276 A A -0.4908
2277 T A -0.5204
2278 G A -0.2656
2279 A A 0.2682
2280 M A 0.6925
2281 A A -0.0446
2282 T A 0.1826
2283 T A -0.1305
2284 T A -0.0871
2285 G A -0.1599
2286 A A 0.3987
2287 L A 0.9482
2288 P A 0.1945
2289 A A -0.1224
2290 Q A -0.6745
2291 P A 0.0913
2292 L A 1.4246
2293 P A 1.1485
2294 L A 1.7855
2295 S A 0.6761
2296 V A 0.5500
2297 P A -0.1319
2298 S A -0.0059
2299 S A 0.2824
2300 L A 1.0085
2301 A A -0.5302
2302 Q A -0.5323
2303 A A -0.6946
2304 Q A -1.2462
2305 T A -0.5114
2306 Q A -0.8467
2307 L A 0.7041
2308 G A 0.0274
2309 P A -0.4383
2310 Q A -0.7752
2311 P A -1.3001
2312 E A 0.0000
2313 V A 0.0000
2314 T A 0.0000
2315 P A -1.3110
2316 K A -2.4088
2317 R A -2.9608
2318 Q A -2.2092
2319 V A -0.7424
2320 L A 0.5487
2321 A A 0.3623
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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, -0.5945 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 -0.5945 View CSV PDB
model_1 -0.6037 View CSV PDB
model_4 -0.6075 View CSV PDB
model_0 -0.6131 View CSV PDB
model_3 -0.6149 View CSV PDB
model_10 -0.6158 View CSV PDB
CABS_average -0.6363 View CSV PDB
model_9 -0.6405 View CSV PDB
model_7 -0.641 View CSV PDB
model_5 -0.669 View CSV PDB
model_6 -0.6744 View CSV PDB
model_11 -0.6776 View CSV PDB
model_8 -0.6832 View CSV PDB
input -0.7537 View CSV PDB