Project name: C123Y_4D

Status: done

Started: 2026-05-14 00:50:16
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPYLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:29)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (11:03:22)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (11:04:01)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (11:04:42)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (11:05:23)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (11:06:03)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (11:06:43)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (11:07:27)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (11:08:11)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (11:08:55)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (11:09:38)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (11:10:16)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (11:10:55)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (11:11:35)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (11:12:50)
[INFO]       Main:     Simulation completed successfully.                                          (11:13:27)
Show buried residues

Minimal score value
-5.1713
Maximal score value
6.7788
Average score
-0.5632
Total score value
-1307.0746

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 0.8501
2 G A 0.0000
3 P A -0.7576
4 G A -0.8448
5 A A -0.6104
6 R A 0.0000
7 G A -2.4128
8 R A -4.0918
9 R A -4.8324
10 R A -5.1713
11 R A -4.5697
12 R A -4.6746
13 R A -3.6497
14 P A -2.1079
15 M A -0.9555
16 S A -0.3127
17 P A -0.5382
18 P A -0.3093
19 P A -0.2554
20 P A -0.4083
21 P A -0.1446
22 P A 0.0024
23 P A 0.2465
24 V A 0.9825
25 R A 0.3337
26 A A 0.7665
27 L A 1.7870
28 P A 1.2144
29 L A 1.4081
30 L A 0.0000
31 L A 1.6936
32 L A 2.2457
33 L A 1.4041
34 A A 0.6182
35 G A -0.0125
36 P A -0.3483
37 G A -0.6174
38 A A -0.2294
39 A A -0.0298
40 A A -0.3542
41 P A -0.8412
42 P A 0.0000
43 C A 0.0000
44 L A 0.1291
45 D A -1.5430
46 G A -1.1916
47 S A 0.0000
48 P A -0.0966
49 C A 0.0000
50 A A 0.6059
51 N A 0.1344
52 G A -0.7472
53 G A -1.3099
54 R A -1.6503
55 C A -0.2835
56 T A -0.5894
57 Q A -1.3573
58 L A -0.7791
59 P A -0.4973
60 S A -0.4835
61 R A 0.0000
62 E A -1.8369
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.7287
67 C A 0.2217
68 P A 0.0000
69 P A -0.2042
70 G A -0.8221
71 W A -0.6395
72 V A -0.3994
73 G A -0.4440
74 E A -0.6449
75 R A 0.0000
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0000
79 E A -2.1747
80 D A -1.7965
81 P A -1.5125
82 C A 0.0000
83 H A -1.0899
84 S A -0.7936
85 G A -1.0897
86 P A -0.9991
87 C A -1.2117
88 A A -1.1667
89 G A -1.4078
90 R A -2.4470
91 G A -1.6152
92 V A -1.3854
93 C A -1.0495
94 Q A -1.5241
95 S A -1.0378
96 S A -1.2076
97 V A 0.0000
98 V A 0.0000
99 A A 0.0000
100 G A -0.8746
101 T A -0.9643
102 A A -1.5472
103 R A -2.1815
104 F A -1.5892
105 S A -1.4323
106 C A -1.5761
107 R A -2.5578
108 C A -1.9306
109 P A -1.9277
110 R A -2.6051
111 G A -2.1509
112 F A -2.3167
113 R A -2.9127
114 G A -2.0662
115 P A -1.9588
116 D A -2.3359
117 C A -1.6423
118 S A -1.4484
119 L A 0.0000
120 P A -1.5097
121 D A -1.5694
122 P A -0.1824
123 Y A 1.4257
124 L A 2.3825
125 S A 1.1543
126 S A 0.4778
127 P A -0.0114
128 C A 0.0449
129 A A -0.0803
130 H A -0.5525
131 G A -0.8234
132 A A -0.8640
133 R A -1.4567
134 C A 0.5547
135 S A 1.0006
136 V A 1.5111
137 G A -0.3304
138 P A -1.2609
139 D A -2.5206
140 G A -1.9724
141 R A -1.6433
142 F A 0.7185
143 L A 0.8928
144 C A -0.0699
145 S A -0.6052
146 C A -0.9257
147 P A -0.8484
148 P A -0.8231
149 G A -0.6001
150 Y A -1.0554
151 Q A -1.6990
152 G A -1.7883
153 R A -1.8857
154 S A -0.9222
155 C A -0.7091
156 R A -1.2595
157 S A -1.0710
158 D A -0.7896
159 V A 0.3154
160 D A -1.1872
161 E A 0.0000
162 C A 0.0000
163 R A -2.2638
164 V A -0.1364
165 G A -1.0457
166 E A -2.5217
167 P A -1.9414
168 C A 0.0000
169 R A -3.2563
170 H A -2.6473
171 G A -1.8995
172 G A -1.1988
173 T A -0.9517
174 C A -1.0684
175 L A -0.4585
176 N A -1.0516
177 T A -0.7609
178 P A -0.7666
179 G A -0.9949
180 S A -0.4976
181 F A -0.3661
182 R A -1.3943
183 C A 0.0000
184 Q A -1.0042
185 C A -0.7838
186 P A -0.4789
187 A A -0.3128
188 G A -0.2356
189 Y A -0.3223
190 T A -0.5860
191 G A 0.0000
192 P A -0.4980
193 L A 0.6406
194 C A -0.5731
195 E A -1.3379
196 N A -1.1885
197 P A -0.8287
198 A A -0.4501
199 V A 0.3116
200 P A -0.6199
201 C A -0.7819
202 A A -0.9519
203 P A -0.9543
204 S A -0.8368
205 P A -0.9573
206 C A 0.0000
207 R A -2.5491
208 N A -2.2375
209 G A -1.6472
210 G A 0.0000
211 T A -1.2962
212 C A -1.4239
213 R A -2.7036
214 Q A -2.4882
215 S A -1.7139
216 G A -1.2586
217 D A -1.5189
218 L A 0.0000
219 T A -1.0075
220 Y A -1.2074
221 D A -2.3230
222 C A 0.0000
223 A A -1.4486
224 C A 0.0000
225 L A -0.1807
226 P A -0.5146
227 G A 0.1105
228 F A 0.3025
229 E A -1.5130
230 G A -1.5284
231 Q A -2.2968
232 N A -2.5650
233 C A 0.0000
234 E A -2.1880
235 V A 0.0000
236 N A 0.0000
237 V A -0.2302
238 D A -1.7429
239 D A -1.8223
240 C A -1.5106
241 P A -1.4452
242 G A -1.6363
243 H A -2.1284
244 R A -2.5427
245 C A -1.1544
246 L A -0.0324
247 N A -0.5225
248 G A -0.5742
249 G A -0.5293
250 T A -0.7901
251 C A -0.4571
252 V A 0.6018
253 D A -0.2945
254 G A -0.2795
255 V A -0.4853
256 N A 0.0000
257 T A -0.4480
258 Y A -0.6064
259 N A -1.0274
260 C A -1.2005
261 Q A -1.2325
262 C A -1.0849
263 P A -0.7926
264 P A -0.9151
265 E A -1.2314
266 W A -0.4460
267 T A 0.0000
268 G A -1.1688
269 Q A -0.2618
270 F A 1.3721
271 C A 0.4671
272 T A -0.6533
273 E A -1.2830
274 D A -0.8542
275 V A 0.0000
276 D A -0.8534
277 E A -0.9911
278 C A 0.0000
279 Q A -1.2370
280 L A -0.3355
281 Q A -0.8263
282 P A -0.9608
283 N A -1.9331
284 A A -1.3565
285 C A 0.0000
286 H A -1.3905
287 N A -0.9247
288 G A 0.0000
289 G A -0.3226
290 T A 0.0000
291 C A -0.4020
292 F A -0.5261
293 N A -1.1405
294 T A -0.1832
295 L A 0.5226
296 G A -0.2764
297 G A -0.3585
298 H A -0.8364
299 S A -0.5291
300 C A 0.0000
301 V A 0.7873
302 C A 0.0000
303 V A 0.3166
304 N A 0.0000
305 G A -0.2689
306 W A -0.3540
307 T A -0.9783
308 G A -1.1888
309 E A -2.1754
310 S A -1.5664
311 C A 0.0000
312 S A 0.0000
313 Q A -2.0497
314 N A 0.0000
315 I A -1.2244
316 D A -1.0700
317 D A -0.5141
318 C A 0.0063
319 A A 0.0000
320 T A 0.3217
321 A A 0.7832
322 V A 1.5185
323 C A 0.0000
324 F A 0.0000
325 H A -0.6093
326 G A -0.1194
327 A A 0.0000
328 T A 0.0162
329 C A 0.0000
330 H A -0.3814
331 D A 0.0000
332 R A -1.2978
333 V A -0.1842
334 A A 0.0000
335 S A 0.0000
336 F A 1.4205
337 Y A 1.4303
338 C A 0.0000
339 A A 0.3066
340 C A 0.0000
341 P A -0.2603
342 M A 0.1728
343 G A 0.1335
344 K A -0.2824
345 T A 0.0000
346 G A 0.6962
347 L A 2.2828
348 L A 2.4083
349 C A 1.4878
350 H A 0.0000
351 L A 0.2622
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 0.0000
356 V A 1.9725
357 S A 0.8021
358 N A 0.0000
359 P A 0.0530
360 C A -0.0829
361 H A 0.0000
362 E A -1.8613
363 D A -2.0960
364 A A -0.3842
365 I A 1.8353
366 C A 1.4877
367 D A 0.4493
368 T A 0.6803
369 N A 0.0000
370 P A 0.0000
371 V A 0.5295
372 N A -1.1630
373 G A -0.5821
374 R A 0.0000
375 A A 0.8863
376 I A 1.6340
377 C A 0.0000
378 T A 0.4062
379 C A 0.0000
380 P A -0.7385
381 P A -0.9274
382 G A -0.5042
383 F A 0.3772
384 T A 0.0000
385 G A 0.2922
386 G A 0.8909
387 A A 0.6438
388 C A 0.0000
389 D A -1.2671
390 Q A 0.0000
391 D A -0.8081
392 V A 0.3567
393 D A 0.0000
394 E A 0.0000
395 C A 0.0000
396 S A -0.2102
397 I A 0.0000
398 G A 0.0000
399 A A -0.3367
400 N A 0.0000
401 P A -0.7284
402 C A 0.0000
403 E A -2.1495
404 H A -1.8171
405 L A -0.9800
406 G A -1.4738
407 R A -1.6577
408 C A 0.0000
409 V A 0.5408
410 N A 0.0049
411 T A -0.4987
412 Q A -1.3791
413 G A 0.0000
414 S A -0.1394
415 F A 0.0000
416 L A 0.4287
417 C A 0.0000
418 Q A -1.6706
419 C A -1.4506
420 G A -0.5305
421 R A -0.5767
422 G A 0.1812
423 Y A 0.7356
424 T A 0.4012
425 G A -0.3169
426 P A -1.2178
427 R A -2.0025
428 C A 0.0000
429 E A -1.0567
430 T A -0.3592
431 D A -0.1639
432 V A 1.1412
433 N A -0.5619
434 E A -1.2954
435 C A -0.3514
436 L A 0.2483
437 S A -0.4726
438 G A 0.2719
439 P A -0.1477
440 C A -0.3272
441 R A -1.5551
442 N A -2.3278
443 Q A -1.6429
444 A A 0.0000
445 T A 0.2074
446 C A 0.8650
447 L A 0.8094
448 D A -1.7350
449 R A -1.9873
450 I A -0.0540
451 G A -1.0382
452 Q A -1.7138
453 F A -0.3485
454 T A 0.6639
455 C A 0.0000
456 I A 2.5235
457 C A 1.3141
458 M A 2.2330
459 A A 0.9688
460 G A 1.4304
461 F A 2.4234
462 T A 0.0000
463 G A 1.3155
464 T A 1.4632
465 Y A 1.3758
466 C A 0.3651
467 E A -1.0609
468 V A 0.7594
469 D A 0.7037
470 I A 1.0180
471 D A -0.8536
472 E A 0.0000
473 C A 0.0000
474 Q A -1.6769
475 S A -0.8313
476 S A -0.3901
477 P A -0.2932
478 C A 0.2306
479 V A 0.7959
480 N A -0.6740
481 G A -0.5481
482 G A -0.5710
483 V A 0.0409
484 C A -0.7331
485 K A -2.0625
486 D A -2.8520
487 R A -2.1490
488 V A -0.1177
489 N A -0.8070
490 G A -0.7798
491 F A -0.0477
492 S A -0.4366
493 C A 0.0000
494 T A 0.1209
495 C A 0.0125
496 P A -0.2363
497 S A -0.5312
498 G A -0.6948
499 F A 0.1297
500 S A -0.3658
501 G A -0.6639
502 S A -0.4259
503 T A -0.0329
504 C A -0.3653
505 Q A -0.9410
506 L A -0.4451
507 D A -0.8330
508 V A -0.1703
509 D A -1.6390
510 E A -1.3371
511 C A -0.5544
512 A A -0.4370
513 S A -0.5713
514 T A -0.5105
515 P A -0.9437
516 C A -1.8210
517 R A -3.1459
518 N A -2.8809
519 G A -2.6392
520 A A -2.5418
521 K A -2.5564
522 C A -1.1924
523 V A -0.2821
524 D A -0.9100
525 Q A -1.5736
526 P A -1.0132
527 D A -1.4312
528 G A -0.9953
529 Y A -0.8477
530 E A -1.6941
531 C A -1.2211
532 R A -2.2932
533 C A -2.0646
534 A A -1.4914
535 E A -2.0784
536 G A -0.6098
537 F A 0.4327
538 E A -0.2516
539 G A -0.1152
540 T A 0.3977
541 L A 1.4126
542 C A 0.6531
543 D A -0.4394
544 R A -0.7428
545 N A -1.2140
546 V A -0.8076
547 D A -2.5185
548 D A -2.8282
549 C A 0.0000
550 S A -2.0123
551 P A -2.2740
552 D A -2.6324
553 P A -2.1505
554 C A 0.0000
555 H A -2.7573
556 H A -2.3132
557 G A -1.6969
558 R A -2.0502
559 C A -1.2529
560 V A 0.1149
561 D A -0.4760
562 G A 0.4066
563 I A 1.7802
564 A A 0.8986
565 S A 0.3589
566 F A 0.7756
567 S A 0.2091
568 C A 0.0000
569 A A -0.4321
570 C A 0.0000
571 A A -0.0620
572 P A 0.0121
573 G A 0.0595
574 Y A 0.6605
575 T A 0.0000
576 G A -0.6907
577 T A -0.3721
578 R A -1.4536
579 C A -1.7130
580 E A -2.4066
581 S A -1.3894
582 Q A -0.8866
583 V A 0.2513
584 D A -1.6190
585 E A -1.6130
586 C A 0.0000
587 R A -2.6661
588 S A -2.0929
589 Q A -2.4929
590 P A -1.8237
591 C A -1.8866
592 R A -2.3618
593 H A -2.0439
594 G A -1.6568
595 G A -1.8890
596 K A -2.2277
597 C A -1.0723
598 L A 0.0792
599 D A -0.3417
600 L A 0.7203
601 V A 0.7568
602 D A -1.4020
603 K A -1.4555
604 Y A -0.5059
605 L A 0.2698
606 C A -0.9297
607 R A -2.3656
608 C A 0.0000
609 P A -1.1532
610 S A -0.7119
611 G A -0.3588
612 T A 0.2061
613 T A -0.5637
614 G A -0.3021
615 V A -0.2322
616 N A -1.1932
617 C A 0.0000
618 E A 0.0300
619 V A 1.5045
620 N A 0.5093
621 I A 0.7188
622 D A -1.2666
623 D A -2.3383
624 C A 0.0000
625 A A -0.9406
626 S A -0.5040
627 N A -0.1964
628 P A 0.2151
629 C A 0.9347
630 T A 1.5072
631 F A 2.1036
632 G A 1.8689
633 V A 1.8973
634 C A 0.2771
635 R A -1.1720
636 D A -1.7713
637 G A -1.1212
638 I A -0.5056
639 N A -1.6941
640 R A -1.9908
641 Y A -1.0224
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2257 S A 0.0000
2258 P A 0.0000
2259 S A -0.2359
2260 P A -0.0426
2261 P A -0.3024
2262 S A -0.2190
2263 L A 0.4307
2264 S A -0.4262
2265 D A -1.6482
2266 W A -0.9301
2267 S A -1.1918
2268 E A -1.8666
2269 S A -0.9382
2270 T A -0.3170
2271 P A -0.1079
2272 S A -0.3469
2273 P A -0.2697
2274 A A -0.2468
2275 T A -0.3277
2276 A A -0.2630
2277 T A -0.1285
2278 G A -0.1268
2279 A A 0.4279
2280 M A 0.8223
2281 A A 0.3923
2282 T A 0.0068
2283 T A -0.2257
2284 T A -0.6121
2285 G A -0.7825
2286 A A -0.2192
2287 L A 0.0000
2288 P A -0.7184
2289 A A -0.5396
2290 Q A -0.3050
2291 P A 0.2069
2292 L A 1.0710
2293 P A 0.8684
2294 L A 1.9436
2295 S A 1.0290
2296 V A 1.4434
2297 P A -0.0345
2298 S A -0.3571
2299 S A -0.2524
2300 L A 0.6966
2301 A A 0.0201
2302 Q A -0.7813
2303 A A -0.3824
2304 Q A -0.7523
2305 T A -1.1087
2306 Q A -1.9197
2307 L A 0.0000
2308 G A -1.3782
2309 P A -1.5718
2310 Q A -1.8142
2311 P A -1.5273
2312 E A -1.6292
2313 V A 0.0000
2314 T A -1.1681
2315 P A -1.6994
2316 K A -2.5089
2317 R A -2.1021
2318 Q A -1.4180
2319 V A 0.2950
2320 L A 1.2646
2321 A A 0.6803
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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, -0.5632 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 -0.5632 View CSV PDB
model_7 -0.5751 View CSV PDB
model_6 -0.594 View CSV PDB
model_5 -0.5957 View CSV PDB
model_1 -0.6005 View CSV PDB
model_2 -0.6038 View CSV PDB
model_0 -0.6086 View CSV PDB
CABS_average -0.6211 View CSV PDB
model_3 -0.6311 View CSV PDB
model_8 -0.6423 View CSV PDB
model_9 -0.6595 View CSV PDB
model_10 -0.6689 View CSV PDB
model_11 -0.7104 View CSV PDB
input -0.7651 View CSV PDB