Project name: T577I_4D

Status: done

Started: 2026-05-15 06:37:04
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGIRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:18:36)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (17:17:48)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (17:18:51)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (17:19:53)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (17:20:48)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (17:21:48)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (17:22:46)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (17:23:42)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (17:24:40)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (17:25:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (17:26:47)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (17:27:49)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (17:28:49)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (17:29:45)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (17:31:39)
[INFO]       Main:     Simulation completed successfully.                                          (17:32:33)
Show buried residues

Minimal score value
-4.6405
Maximal score value
5.1322
Average score
-0.5489
Total score value
-1274.0837

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 0.6577
2 G A -0.4132
3 P A -0.7391
4 G A -1.2525
5 A A -1.5662
6 R A -2.8026
7 G A -2.0792
8 R A -2.3316
9 R A -3.4054
10 R A 0.0000
11 R A -3.8825
12 R A -3.9820
13 R A -3.4948
14 P A -1.7655
15 M A -0.1270
16 S A 0.2639
17 P A 1.1169
18 P A 0.9661
19 P A 0.0000
20 P A 0.0000
21 P A -0.4247
22 P A 0.0000
23 P A 0.3318
24 V A 0.9134
25 R A 0.4051
26 A A 0.5240
27 L A 0.9897
28 P A 0.9848
29 L A 2.0084
30 L A 2.9632
31 L A 2.8292
32 L A 2.2638
33 L A 1.6972
34 A A 0.8471
35 G A -0.4109
36 P A -0.7421
37 G A -1.0096
38 A A -0.8940
39 A A -0.4570
40 A A -0.1625
41 P A -0.6151
42 P A -0.4075
43 C A -0.2458
44 L A 1.1651
45 D A -0.0185
46 G A -0.2125
47 S A -0.1433
48 P A -0.3944
49 C A 0.0000
50 A A -0.6112
51 N A -1.2188
52 G A -1.2296
53 G A -1.6848
54 R A -2.4247
55 C A -1.3827
56 T A 0.0000
57 Q A -1.1833
58 L A 0.1397
59 P A -0.0301
60 S A -0.9864
61 R A -2.2837
62 E A -2.4935
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.9709
69 P A -0.6695
70 G A -0.4103
71 W A -0.3811
72 V A 0.0000
73 G A 0.0000
74 E A 0.0000
75 R A 0.0000
76 C A 0.0000
77 Q A -0.9937
78 L A 0.0000
79 E A -1.0657
80 D A -1.1731
81 P A -0.8796
82 C A -0.3169
83 H A 0.0000
84 S A -1.1271
85 G A -0.4085
86 P A -0.1417
87 C A -0.6378
88 A A -0.7419
89 G A 0.0000
90 R A -1.8253
91 G A -0.6477
92 V A 0.6582
93 C A 0.8872
94 Q A 0.5958
95 S A 0.6647
96 S A 0.0000
97 V A 0.0000
98 V A -0.1514
99 A A -0.0238
100 G A -1.0317
101 T A 0.0000
102 A A 0.0000
103 R A 0.0000
104 F A 0.0306
105 S A 0.0000
106 C A 0.2409
107 R A -0.4928
108 C A 0.0000
109 P A -1.8800
110 R A -2.7515
111 G A -1.5406
112 F A 0.0000
113 R A -2.2890
114 G A -1.3327
115 P A -1.4344
116 D A -1.3180
117 C A 0.0000
118 S A -0.7279
119 L A -0.5559
120 P A -0.9992
121 D A -1.2084
122 P A -0.8679
123 C A 0.0833
124 L A 1.2116
125 S A 0.2411
126 S A 0.0325
127 P A -0.2109
128 C A -0.1900
129 A A -0.2299
130 H A -0.4269
131 G A -0.7632
132 A A -0.8301
133 R A -1.2860
134 C A 0.1450
135 S A 0.4599
136 V A 0.0156
137 G A -0.5583
138 P A -1.1290
139 D A -2.2340
140 G A -1.4606
141 R A -1.4344
142 F A 0.3632
143 L A 1.2942
144 C A 0.4665
145 S A 0.0518
146 C A 0.0891
147 P A -0.2811
148 P A -0.4013
149 G A -0.5898
150 Y A -0.8042
151 Q A -1.1478
152 G A 0.0000
153 R A -0.6477
154 S A -0.3482
155 C A -0.3302
156 R A -1.9584
157 S A -1.6363
158 D A -2.1410
159 V A -1.2511
160 D A -1.9003
161 E A 0.0000
162 C A -1.4001
163 R A -2.0262
164 V A -0.1351
165 G A -1.1639
166 E A -2.1653
167 P A -1.9493
168 C A -2.1578
169 R A -2.5451
170 H A -2.3377
171 G A -1.6163
172 G A -1.4312
173 T A -1.4804
174 C A 0.0000
175 L A -0.0575
176 N A -1.1026
177 T A -0.9577
178 P A -1.1258
179 G A -1.0611
180 S A -0.4287
181 F A -0.3166
182 R A -1.3376
183 C A 0.0000
184 Q A -1.8738
185 C A -1.7847
186 P A -1.0992
187 A A -0.4547
188 G A 0.0140
189 Y A -0.0314
190 T A -0.2056
191 G A -0.6791
192 P A 0.0000
193 L A 0.3154
194 C A 0.0000
195 E A -2.5002
196 N A -1.9148
197 P A -0.4894
198 A A 0.1780
199 V A 0.5800
200 P A 0.6696
201 C A 0.4937
202 A A 0.0400
203 P A -0.1926
204 S A -0.7211
205 P A -0.6986
206 C A 0.0000
207 R A -1.7844
208 N A -1.5130
209 G A -1.2525
210 G A -1.3486
211 T A -1.2043
212 C A -0.8709
213 R A -1.6749
214 Q A -0.8842
215 S A -0.8748
216 G A -1.1454
217 D A -1.2147
218 L A 0.3603
219 T A -0.0257
220 Y A 0.2000
221 D A -0.8043
222 C A -0.5118
223 A A -0.1860
224 C A -0.0733
225 L A -0.2752
226 P A -1.0754
227 G A -1.0091
228 F A -1.6976
229 E A -2.6449
230 G A -2.1143
231 Q A -2.3486
232 N A -1.8119
233 C A -0.9859
234 E A -1.5443
235 V A -1.4026
236 N A -2.5607
237 V A -2.4655
238 D A -2.9602
239 D A -2.4942
240 C A 0.0000
241 P A -1.4234
242 G A -1.3270
243 H A -1.3481
244 R A -1.9725
245 C A 0.0000
246 L A -0.1099
247 N A -1.3392
248 G A -1.0993
249 G A -0.7521
250 T A 0.0000
251 C A -0.8668
252 V A -0.6822
253 D A -2.3743
254 G A -1.9797
255 V A -2.0604
256 N A -2.2305
257 T A -1.4263
258 Y A -1.2120
259 N A -1.0192
260 C A 0.0000
261 Q A -0.9968
262 C A -0.9222
263 P A -0.7899
264 P A -0.8522
265 E A -1.6286
266 W A -0.5656
267 T A -0.6392
268 G A -0.8139
269 Q A -0.8034
270 F A 0.2070
271 C A 0.0000
272 T A -0.5639
273 E A -0.9310
274 D A -0.9671
275 V A -0.6576
276 D A -1.3463
277 E A -2.3354
278 C A 0.0000
279 Q A -1.4645
280 L A -0.1587
281 Q A -1.2972
282 P A -0.9962
283 N A -0.9814
284 A A -0.8085
285 C A -0.3432
286 H A -1.1473
287 N A -0.8421
288 G A -0.9257
289 G A -0.6383
290 T A 0.0000
291 C A 0.1940
292 F A 1.3038
293 N A -0.6317
294 T A 0.2061
295 L A 1.0519
296 G A -0.4807
297 G A -0.6584
298 H A -0.9629
299 S A -0.3877
300 C A -0.1246
301 V A 0.2679
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A -0.5223
306 W A 0.0000
307 T A 0.0000
308 G A -1.3770
309 E A -1.9485
310 S A -1.5114
311 C A 0.0000
312 S A 0.0000
313 Q A 0.0000
314 N A -0.5510
315 I A -0.0373
316 D A -0.5026
317 D A -0.4588
318 C A 0.0639
319 A A 0.0135
320 T A -0.2074
321 A A 0.0000
322 V A 1.6390
323 C A 0.0000
324 F A 1.4836
325 H A -0.1924
326 G A -0.0712
327 A A 0.2953
328 T A 0.0000
329 C A 0.5126
330 H A -0.5101
331 D A -1.1372
332 R A -1.2812
333 V A -0.4434
334 A A -0.1723
335 S A 0.0000
336 F A 0.0000
337 Y A 0.3851
338 C A 0.0000
339 A A 0.4511
340 C A 0.4219
341 P A -0.0198
342 M A 0.2622
343 G A -0.2608
344 K A 0.0000
345 T A 0.0000
346 G A 0.5378
347 L A 0.3281
348 L A 0.0000
349 C A 0.5304
350 H A 0.0666
351 L A 0.0000
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 0.4104
356 V A 0.0000
357 S A -0.1280
358 N A 0.0000
359 P A 0.0000
360 C A 0.0000
361 H A 0.0000
362 E A -0.6845
363 D A -1.3261
364 A A 0.0000
365 I A 1.3546
366 C A 1.0542
367 D A 0.1126
368 T A 0.0000
369 N A 0.0000
370 P A -0.3710
371 V A -1.1428
372 N A -2.7616
373 G A 0.0000
374 R A -1.7676
375 A A 0.0000
376 I A 1.0348
377 C A 1.1645
378 T A 0.4654
379 C A 0.1965
380 P A 0.0000
381 P A -0.3720
382 G A -0.0141
383 F A 0.0000
384 T A -0.0633
385 G A -0.5162
386 G A -0.5424
387 A A -0.0182
388 C A 0.0000
389 D A 0.0000
390 Q A -0.3944
391 D A 0.0000
392 V A 1.4399
393 D A 0.0000
394 E A -0.4660
395 C A 0.0000
396 S A -0.5446
397 I A -0.6395
398 G A -0.8045
399 A A -1.1416
400 N A -1.2347
401 P A 0.0000
402 C A 0.0000
403 E A -2.0623
404 H A -1.3275
405 L A -1.0125
406 G A -0.8909
407 R A 0.0000
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.2532
412 Q A -0.0632
413 G A 0.0000
414 S A -0.2333
415 F A 0.0000
416 L A -0.3909
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A 0.0000
421 R A -1.8129
422 G A -1.0559
423 Y A -0.9076
424 T A -0.7530
425 G A -0.8783
426 P A -1.1196
427 R A -1.2827
428 C A 0.0000
429 E A -1.2655
430 T A -0.8748
431 D A -0.5483
432 V A -0.3734
433 N A 0.0000
434 E A -0.4731
435 C A 0.0000
436 L A 0.6531
437 S A 0.0796
438 G A -0.1059
439 P A -0.1101
440 C A 0.0000
441 R A 0.0000
442 N A -1.0661
443 Q A -1.1419
444 A A 0.0000
445 T A -0.9707
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -0.4357
450 I A 0.7215
451 G A -0.3820
452 Q A -0.3881
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 0.3948
459 A A 0.0000
460 G A 0.7066
461 F A 1.0427
462 T A 0.0000
463 G A -0.0133
464 T A -0.0883
465 Y A -0.1429
466 C A 0.0000
467 E A -0.4227
468 V A 0.7890
469 D A 0.0000
470 I A 2.1369
471 D A 0.7569
472 E A 0.0000
473 C A -0.1794
474 Q A -0.2540
475 S A 0.0000
476 S A 0.0990
477 P A 0.2999
478 C A 0.7570
479 V A 1.1293
480 N A -0.7059
481 G A -0.8121
482 G A -0.8409
483 V A 0.0000
484 C A -0.7901
485 K A -2.0415
486 D A -1.4420
487 R A -1.4975
488 V A 0.6308
489 N A 0.3134
490 G A 0.0000
491 F A 0.0000
492 S A -0.7766
493 C A 0.0000
494 T A -0.1044
495 C A 0.3867
496 P A -0.6300
497 S A -1.1712
498 G A -0.8636
499 F A 0.2296
500 S A -0.4712
501 G A -0.3030
502 S A -0.5384
503 T A 0.0000
504 C A 0.0000
505 Q A -0.6903
506 L A 0.2368
507 D A -1.8206
508 V A -1.7984
509 D A -3.2251
510 E A -2.9636
511 C A -1.2806
512 A A 0.0000
513 S A -0.9981
514 T A -0.6024
515 P A -0.4331
516 C A -1.1002
517 R A -2.5237
518 N A -2.5365
519 G A -2.0434
520 A A -1.8801
521 K A -2.2037
522 C A -1.0238
523 V A 0.3908
524 D A -0.8230
525 Q A -1.3918
526 P A -1.9231
527 D A -2.6355
528 G A -1.7068
529 Y A -0.6285
530 E A -1.1139
531 C A 0.0000
532 R A -2.0579
533 C A 0.0000
534 A A -1.8184
535 E A -1.5719
536 G A -1.7044
537 F A -1.1578
538 E A -2.2768
539 G A -1.6386
540 T A -0.6268
541 L A 0.4176
542 C A -0.9893
543 D A -1.6800
544 R A -2.3438
545 N A -2.2324
546 V A -0.6436
547 D A -2.1976
548 D A -2.2088
549 C A -0.6145
550 S A -0.9925
551 P A -0.8656
552 D A -1.0822
553 P A -1.0306
554 C A -1.4200
555 H A -2.0430
556 H A -1.9727
557 G A -1.4524
558 R A -1.7098
559 C A -0.2567
560 V A 0.1646
561 D A -1.0261
562 G A -0.0568
563 I A 1.3382
564 A A 0.5077
565 S A 0.1921
566 F A 0.1316
567 S A 0.0902
568 C A -0.3219
569 A A -0.4647
570 C A -1.0679
571 A A -1.4305
572 P A -1.1353
573 G A -1.2095
574 Y A -1.1762
575 T A 0.0000
576 G A -0.7050
577 I A -0.4865
578 R A -1.8490
579 C A -1.5313
580 E A -2.2174
581 S A -1.8238
582 Q A -2.2041
583 V A 0.0000
584 D A -2.6301
585 E A -1.7637
586 C A -0.7929
587 R A -2.2650
588 S A -1.9274
589 Q A -1.9252
590 P A -1.8511
591 C A 0.0000
592 R A -2.2281
593 H A -2.0974
594 G A -1.9635
595 G A -1.6784
596 K A -2.2752
597 C A -0.9745
598 L A 0.1553
599 D A -0.3782
600 L A 1.5887
601 V A 0.9531
602 D A -1.3844
603 K A -0.3879
604 Y A -0.4312
605 L A -0.1881
606 C A 0.0000
607 R A -2.0573
608 C A 0.0000
609 P A -1.0209
610 S A -0.9728
611 G A -0.7180
612 T A -0.3256
613 T A -0.7359
614 G A -0.7861
615 V A -0.0665
616 N A -1.4985
617 C A 0.0000
618 E A -1.8880
619 V A -1.5058
620 N A -0.7783
621 I A -0.1656
622 D A -1.6149
623 D A -2.2997
624 C A 0.0000
625 A A -0.8775
626 S A -0.7608
627 N A -1.1208
628 P A 0.1682
629 C A 0.9050
630 T A 1.0858
631 F A 1.9214
632 G A 1.4351
633 V A 1.5131
634 C A 0.2403
635 R A -1.9784
636 D A -2.0184
637 G A -1.7124
638 I A -1.2899
639 N A -2.3621
640 R A -2.8288
641 Y A -1.7019
642 D A -1.1655
643 C A 0.0000
644 V A 1.4177
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2269 S A -0.9183
2270 T A -0.8500
2271 P A -0.5747
2272 S A -0.5736
2273 P A -0.3179
2274 A A -0.4749
2275 T A 0.0000
2276 A A -0.3631
2277 T A 0.0000
2278 G A -0.2730
2279 A A 0.0155
2280 M A -0.0385
2281 A A -0.3272
2282 T A 0.0000
2283 T A 0.0000
2284 T A -0.5867
2285 G A -0.3421
2286 A A 0.3472
2287 L A 1.1356
2288 P A 0.3996
2289 A A 0.2541
2290 Q A -0.8858
2291 P A 0.0000
2292 L A 0.0000
2293 P A 0.3671
2294 L A 0.1190
2295 S A 0.0000
2296 V A 0.0000
2297 P A 0.0000
2298 S A 0.0000
2299 S A 0.8189
2300 L A 0.2511
2301 A A -0.5850
2302 Q A -1.1352
2303 A A -0.9966
2304 Q A -1.4670
2305 T A -1.0662
2306 Q A -1.0755
2307 L A 0.3421
2308 G A -0.1141
2309 P A -0.7418
2310 Q A -0.9961
2311 P A -0.7332
2312 E A -1.1759
2313 V A -0.1903
2314 T A -0.9296
2315 P A -1.6555
2316 K A -2.5214
2317 R A -2.6840
2318 Q A -1.5462
2319 V A 0.3729
2320 L A 0.8283
2321 A A 0.0908
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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, -0.5489 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_4 -0.5489 View CSV PDB
model_9 -0.5666 View CSV PDB
model_5 -0.5775 View CSV PDB
model_2 -0.5797 View CSV PDB
model_1 -0.5831 View CSV PDB
model_8 -0.5991 View CSV PDB
CABS_average -0.6004 View CSV PDB
model_6 -0.601 View CSV PDB
model_10 -0.6012 View CSV PDB
model_0 -0.6123 View CSV PDB
model_3 -0.6235 View CSV PDB
model_7 -0.6461 View CSV PDB
model_11 -0.6657 View CSV PDB
input -0.7473 View CSV PDB