Project name: M1103V_5(4D)

Status: done

Started: 2026-08-11 00:14:38
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYVGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                                (00:34:57)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (19:27:20)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (19:28:52)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (19:30:25)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (19:31:56)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (19:33:30)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (19:35:02)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (19:36:32)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (19:37:58)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (19:39:29)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (19:40:58)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:42:29)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:44:03)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:45:37)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:48:42)
[INFO]       Main:     Simulation completed successfully.                                          (19:50:17)
Show buried residues

Minimal score value
-2.2983
Maximal score value
2.2957
Average score
-0.2174
Total score value
-504.62

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 0.7641
2 G A -0.3726
3 P A -0.1708
4 G A -0.4603
5 A A -0.2140
6 R A -1.0397
7 G A -1.0127
8 R A -2.2517
9 R A -2.1105
10 R A -2.1497
11 R A -1.5811
12 R A -2.1950
13 R A -1.3753
14 P A -0.3732
15 M A 0.2908
16 S A -0.1510
17 P A -0.1482
18 P A -0.2486
19 P A 0.0000
20 P A -0.0388
21 P A -0.0575
22 P A -0.1487
23 P A 0.1778
24 V A 1.3970
25 R A -1.4959
26 A A -0.0553
27 L A 1.1871
28 P A 0.0773
29 L A 0.6052
30 L A 1.7735
31 L A 1.4245
32 L A 1.9855
33 L A 1.7567
34 A A 0.2936
35 G A -0.2245
36 P A 0.0000
37 G A -0.2092
38 A A 0.0169
39 A A 0.0000
40 A A 0.0038
41 P A -0.0483
42 P A -0.0348
43 C A 0.0000
44 L A 0.0102
45 D A -1.0433
46 G A -0.6305
47 S A -0.1160
48 P A -0.0500
49 C A 0.0000
50 A A 0.0000
51 N A -0.4256
52 G A -0.3749
53 G A 0.0000
54 R A -1.2541
55 C A 0.0000
56 T A -0.0102
57 Q A 0.0000
58 L A 0.2990
59 P A -0.2091
60 S A -0.1822
61 R A 0.0000
62 E A -1.8149
63 A A -0.3236
64 A A 0.0888
65 C A 0.4270
66 L A 1.2591
67 C A 0.5021
68 P A 0.0000
69 P A -0.2915
70 G A -0.1968
71 W A 0.2095
72 V A 0.0000
73 G A -0.2012
74 E A -1.0929
75 R A -1.9674
76 C A -0.3194
77 Q A -0.2385
78 L A 0.0000
79 E A -0.6910
80 D A -1.9111
81 P A -0.4567
82 C A 0.5855
83 H A -0.4143
84 S A -0.3685
85 G A -0.3902
86 P A -0.2165
87 C A 0.4684
88 A A 0.0271
89 G A -0.8195
90 R A -2.0237
91 G A -0.4758
92 V A 1.7260
93 C A 0.3518
94 Q A -1.1638
95 S A -0.0795
96 S A -0.0354
97 V A 0.0000
98 V A 0.8403
99 A A 0.0872
100 G A -0.4400
101 T A -0.0284
102 A A -0.3117
103 R A -1.3729
104 F A 1.5926
105 S A 0.3049
106 C A -0.2706
107 R A -1.8481
108 C A 0.0000
109 P A -0.4271
110 R A -1.9348
111 G A -0.6270
112 F A 0.2054
113 R A -1.3883
114 G A -0.4110
115 P A -0.6970
116 D A -1.7801
117 C A -0.1543
118 S A -0.1314
119 L A 0.1344
120 P A -0.3235
121 D A -1.8216
122 P A -0.3830
123 C A 0.2635
124 L A 1.0656
125 S A -0.0142
126 S A -0.1124
127 P A -0.2191
128 C A 0.1606
129 A A -0.1435
130 H A -1.0738
131 G A -0.6506
132 A A -0.5494
133 R A -1.8239
134 C A -0.2958
135 S A -0.2883
136 V A 0.0000
137 G A -0.3342
138 P A -0.6677
139 D A -1.9245
140 G A -1.1517
141 R A -1.8330
142 F A 0.4673
143 L A 1.6481
144 C A 0.0000
145 S A -0.1470
146 C A 0.0160
147 P A -0.2464
148 P A -0.1900
149 G A -0.3555
150 Y A 0.2896
151 Q A -1.0831
152 G A -0.8843
153 R A -1.9139
154 S A -0.4514
155 C A 0.0000
156 R A -1.8503
157 S A -0.4209
158 D A -0.5034
159 V A 0.2948
160 D A -0.8227
161 E A -0.4136
162 C A -0.3420
163 R A -1.5854
164 V A 0.8044
165 G A -0.5788
166 E A -1.9304
167 P A -0.4642
168 C A 0.0000
169 R A -1.9610
170 H A -1.0791
171 G A -0.6337
172 G A -0.4401
173 T A -0.1015
174 C A 0.3502
175 L A 1.1607
176 N A -0.2597
177 T A -0.1705
178 P A -0.3466
179 G A -0.5270
180 S A -0.0539
181 F A 0.5059
182 R A -0.9149
183 C A 0.0000
184 Q A -1.1727
185 C A -0.1466
186 P A -0.2260
187 A A -0.0112
188 G A -0.1641
189 Y A 0.6071
190 T A 0.1129
191 G A 0.0000
192 P A -0.0811
193 L A 1.6357
194 C A 0.3042
195 E A -1.7912
196 N A -0.5979
197 P A -0.2102
198 A A 0.1125
199 V A 0.6963
200 P A 0.1060
201 C A 0.0000
202 A A 0.0108
203 P A -0.2835
204 S A -0.3078
205 P A -0.2741
206 C A -0.0789
207 R A -0.9716
208 N A -1.5029
209 G A -0.7179
210 G A -0.2403
211 T A -0.0579
212 C A -0.2311
213 R A -2.0469
214 Q A -1.5301
215 S A -0.5279
216 G A -0.8476
217 D A -1.5856
218 L A 1.2066
219 T A 0.3623
220 Y A -0.0912
221 D A -1.6961
222 C A -0.2311
223 A A 0.0731
224 C A 0.0000
225 L A 1.4586
226 P A 0.1859
227 G A -0.2202
228 F A 1.4079
229 E A -0.3695
230 G A -0.8020
231 Q A -1.3506
232 N A -0.5664
233 C A 0.0000
234 E A -0.5491
235 V A 0.0000
236 N A -0.7450
237 V A -0.1681
238 D A -2.0697
239 D A -2.0894
240 C A -0.2083
241 P A -0.2808
242 G A -0.5742
243 H A -1.3372
244 R A -1.6424
245 C A -0.0870
246 L A 0.2378
247 N A -1.2635
248 G A -0.7960
249 G A -0.4937
250 T A -0.0611
251 C A 0.5512
252 V A 1.3371
253 D A -0.2446
254 G A -0.1150
255 V A 0.8866
256 N A -0.3078
257 T A -0.1445
258 Y A -0.0944
259 N A -1.2194
260 C A -0.3385
261 Q A -1.1851
262 C A 0.0000
263 P A -0.1600
264 P A -0.6157
265 E A -1.7872
266 W A -0.0728
267 T A -0.1674
268 G A -0.3145
269 Q A -0.8385
270 F A 1.7493
271 C A 0.5876
272 T A -0.1011
273 E A -2.0270
274 D A -1.3240
275 V A -0.0920
276 D A -0.8921
277 E A -0.8124
278 C A 0.0000
279 Q A -0.9075
280 L A 0.9973
281 Q A -0.9461
282 P A -0.5613
283 N A -0.4257
284 A A -0.0401
285 C A 0.0136
286 H A -0.9360
287 N A -1.4980
288 G A -0.7976
289 G A -0.5567
290 T A -0.0695
291 C A 0.5356
292 F A 1.9279
293 N A 0.0563
294 T A 0.0824
295 L A 0.9105
296 G A -0.2955
297 G A -0.2258
298 H A -0.7088
299 S A -0.2734
300 C A 0.4307
301 V A 1.5067
302 C A 0.4051
303 V A 0.2463
304 N A -0.2458
305 G A -0.5057
306 W A 0.0000
307 T A -0.0686
308 G A -0.4745
309 E A -1.8828
310 S A -0.5519
311 C A 0.0000
312 S A -0.2213
313 Q A -0.5030
314 N A -0.8693
315 I A 0.0000
316 D A -1.7894
317 D A 0.0000
318 C A 0.0000
319 A A 0.0546
320 T A -0.0079
321 A A 0.1999
322 V A 1.0747
323 C A 0.3764
324 F A 0.3403
325 H A -0.8327
326 G A -0.6165
327 A A -0.0601
328 T A 0.0317
329 C A 0.2247
330 H A 0.0000
331 D A -0.4532
332 R A -0.0455
333 V A 1.6050
334 A A 0.0000
335 S A 0.3428
336 F A 1.9824
337 Y A 0.6519
338 C A 0.1729
339 A A 0.0515
340 C A 0.0592
341 P A -0.0474
342 M A 0.9203
343 G A -0.0585
344 K A -0.8764
345 T A 0.0000
346 G A -0.1542
347 L A 0.1990
348 L A 0.0000
349 C A 0.0000
350 H A -0.2827
351 L A 0.0000
352 D A -1.1313
353 D A 0.0000
354 A A 0.0000
355 C A 0.0000
356 V A 0.2357
357 S A -0.2732
358 N A -1.2883
359 P A -0.4851
360 C A 0.0000
361 H A 0.0000
362 E A -0.6591
363 D A -1.1923
364 A A 0.0000
365 I A 0.3223
366 C A 0.0000
367 D A -0.3330
368 T A -0.1814
369 N A -0.3833
370 P A -0.1063
371 V A 0.0000
372 N A -0.2522
373 G A -0.4923
374 R A -1.8579
375 A A 0.0284
376 I A 1.9744
377 C A 0.4558
378 T A 0.0047
379 C A 0.0000
380 P A -0.2743
381 P A -0.3070
382 G A 0.1236
383 F A 1.0975
384 T A 0.0000
385 G A -0.2080
386 G A -0.4870
387 A A -0.0544
388 C A 0.0469
389 D A -0.2865
390 Q A 0.0000
391 D A -0.1161
392 V A 0.3329
393 D A -0.2159
394 E A -0.3396
395 C A 0.0000
396 S A 0.0278
397 I A 0.2150
398 G A -0.4094
399 A A 0.0000
400 N A -1.3025
401 P A -0.4410
402 C A 0.0000
403 E A -2.0047
404 H A -1.3297
405 L A 0.0000
406 G A -0.7916
407 R A -1.9054
408 C A -0.0084
409 V A 1.1032
410 N A -0.0018
411 T A -0.2450
412 Q A -1.0238
413 G A -0.6669
414 S A -0.1558
415 F A 0.4165
416 L A 0.6727
417 C A 0.0000
418 Q A -0.8734
419 C A -0.1914
420 G A -0.5599
421 R A -0.7956
422 G A -0.4565
423 Y A 0.5558
424 T A 0.0590
425 G A 0.0000
426 P A -0.4860
427 R A -1.8708
428 C A 0.0000
429 E A -1.8232
430 T A -0.6809
431 D A -1.5902
432 V A -0.3296
433 N A -1.4499
434 E A -1.3389
435 C A 0.2401
436 L A 1.5602
437 S A 0.1199
438 G A -0.5507
439 P A -0.3740
440 C A -0.0357
441 R A -0.4942
442 N A -1.5495
443 Q A -1.4366
444 A A 0.0000
445 T A -0.0349
446 C A 0.2437
447 L A 0.4823
448 D A -1.2575
449 R A -1.9283
450 I A 0.1356
451 G A -0.5681
452 Q A -0.9072
453 F A 1.7000
454 T A 0.3695
455 C A 0.4145
456 I A 1.3443
457 C A 0.4197
458 M A 0.1856
459 A A 0.0172
460 G A 0.0295
461 F A 1.8711
462 T A 0.0000
463 G A -0.4000
464 T A 0.0982
465 Y A 1.3022
466 C A 0.0000
467 E A -1.6015
468 V A 0.7816
469 D A 0.0000
470 I A 1.7279
471 D A -1.3469
472 E A -1.3431
473 C A 0.0000
474 Q A -1.2384
475 S A -0.4468
476 S A -0.1344
477 P A -0.2436
478 C A 0.1129
479 V A 0.0763
480 N A -1.3520
481 G A -0.7968
482 G A -0.6423
483 V A 0.1667
484 C A 0.0078
485 K A -1.7752
486 D A -2.0642
487 R A -1.7897
488 V A 1.1799
489 N A -0.9581
490 G A -0.4989
491 F A 0.3580
492 S A 0.0673
493 C A 0.2218
494 T A 0.0279
495 C A 0.1511
496 P A -0.0528
497 S A -0.2921
498 G A -0.1445
499 F A 1.2954
500 S A -0.1573
501 G A -0.1943
502 S A -0.2473
503 T A -0.1087
504 C A 0.0000
505 Q A -1.1606
506 L A -0.4014
507 D A -1.7408
508 V A -0.4902
509 D A -1.8119
510 E A -0.6123
511 C A 0.1477
512 A A 0.0544
513 S A -0.2132
514 T A -0.1637
515 P A -0.1841
516 C A 0.3898
517 R A -0.4922
518 N A -1.4254
519 G A -0.7049
520 A A -0.4371
521 K A -1.6780
522 C A 0.0615
523 V A 1.2285
524 D A -0.7499
525 Q A -1.0183
526 P A -0.7403
527 D A -1.8546
528 G A -0.4117
529 Y A 0.2345
530 E A -0.5478
531 C A -0.3499
532 R A -1.7399
533 C A 0.1724
534 A A -0.2203
535 E A -1.8458
536 G A -0.3336
537 F A 0.7448
538 E A 0.0000
539 G A -0.3947
540 T A 0.2315
541 L A 1.6758
542 C A 0.6718
543 D A -1.7432
544 R A -2.0269
545 N A -1.5094
546 V A -0.2153
547 D A -2.0456
548 D A -2.1196
549 C A 0.0000
550 S A -0.2131
551 P A -0.6189
552 D A -1.8585
553 P A -0.4577
554 C A 0.0000
555 H A -1.1807
556 H A -1.2193
557 G A -0.7494
558 R A -1.8582
559 C A 0.1071
560 V A 1.7974
561 D A 0.0000
562 G A 0.2862
563 I A 2.0065
564 A A 0.4175
565 S A -0.0595
566 F A 0.0093
567 S A -0.0667
568 C A 0.0000
569 A A 0.0585
570 C A 0.0000
571 A A 0.0017
572 P A -0.0771
573 G A 0.1096
574 Y A 1.2755
575 T A 0.1815
576 G A 0.0000
577 T A -0.4290
578 R A -1.8292
579 C A 0.0000
580 E A -1.8199
581 S A 0.0000
582 Q A -1.1538
583 V A -0.1907
584 D A -1.3023
585 E A -1.6312
586 C A 0.0000
587 R A -1.8851
588 S A -0.6677
589 Q A -0.5775
590 P A -0.1907
591 C A -0.2743
592 R A -1.8643
593 H A -0.6439
594 G A -0.5407
595 G A -0.6002
596 K A -1.6975
597 C A 0.0547
598 L A 0.7107
599 D A -0.9691
600 L A 1.0676
601 V A 1.6688
602 D A -1.7874
603 K A -1.8395
604 Y A 0.1544
605 L A 0.9583
606 C A 0.0000
607 R A -0.9271
608 C A -0.1403
609 P A -0.2412
610 S A -0.1932
611 G A -0.4906
612 T A -0.1627
613 T A -0.1180
614 G A -0.4177
615 V A 0.0000
616 N A -1.1363
617 C A 0.4432
618 E A 0.0210
619 V A 0.6782
620 N A 0.2961
621 I A 1.9102
622 D A -0.7221
623 D A -1.0537
624 C A 0.0000
625 A A 0.0177
626 S A -0.4063
627 N A -1.1867
628 P A -0.5431
629 C A 0.0699
630 T A 0.3364
631 F A 1.9042
632 G A 0.5946
633 V A 1.7759
634 C A 0.1774
635 R A -1.9324
636 D A -1.1435
637 G A -0.0987
638 I A 0.8889
639 N A -1.2664
640 R A -0.9957
641 Y A 0.0359
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2275 T A -0.0678
2276 A A 0.0000
2277 T A -0.0064
2278 G A -0.4565
2279 A A -0.0049
2280 M A 0.1557
2281 A A 0.0841
2282 T A 0.0000
2283 T A -0.0513
2284 T A 0.0000
2285 G A 0.0632
2286 A A 0.0000
2287 L A 0.2391
2288 P A 0.0012
2289 A A -0.0552
2290 Q A -0.5264
2291 P A -0.2762
2292 L A 0.0000
2293 P A 0.0000
2294 L A 0.1744
2295 S A 0.0000
2296 V A 0.0000
2297 P A 0.0000
2298 S A -0.0524
2299 S A 0.0000
2300 L A 1.5587
2301 A A 0.1183
2302 Q A -1.1823
2303 A A -0.2331
2304 Q A -0.3363
2305 T A 0.0000
2306 Q A 0.0000
2307 L A 1.5350
2308 G A 0.1736
2309 P A -0.3279
2310 Q A -0.4417
2311 P A -0.6817
2312 E A -1.7510
2313 V A 0.2775
2314 T A 0.0683
2315 P A 0.0000
2316 K A -1.9483
2317 R A -1.8582
2318 Q A -1.3414
2319 V A 0.4036
2320 L A 0.4415
2321 A A 0.1201
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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, -0.2174 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_3 -0.2174 View CSV PDB
model_0 -0.2221 View CSV PDB
model_1 -0.224 View CSV PDB
model_8 -0.2257 View CSV PDB
model_10 -0.2321 View CSV PDB
model_7 -0.2322 View CSV PDB
model_2 -0.2326 View CSV PDB
CABS_average -0.2335 View CSV PDB
model_5 -0.2336 View CSV PDB
model_6 -0.2343 View CSV PDB
model_4 -0.2346 View CSV PDB
model_9 -0.2564 View CSV PDB
model_11 -0.2568 View CSV PDB
input -0.2822 View CSV PDB