Project name: C360R_4D

Status: done

Started: 2026-05-12 07:15:32
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPRHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                         (12:27:39)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:28:23)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:29:07)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:29:51)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:30:33)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:31:16)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:32:00)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:32:43)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:33:28)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:34:12)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:34:56)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:35:39)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:36:23)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:37:48)
[INFO]       Main:     Simulation completed successfully.                                          (12:38:29)
Show buried residues

Minimal score value
-4.0213
Maximal score value
3.3596
Average score
-0.5987
Total score value
-1389.5852

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 -0.3356
2 G A -1.5978
3 P A 0.0000
4 G A -0.9145
5 A A -0.5093
6 R A -1.0755
7 G A -1.9559
8 R A -2.9048
9 R A 0.0000
10 R A -2.9235
11 R A -2.7185
12 R A -2.8804
13 R A -1.9376
14 P A -0.9349
15 M A -0.1664
16 S A -0.8665
17 P A -1.3724
18 P A -1.9583
19 P A -1.6906
20 P A -1.7273
21 P A -1.2061
22 P A -0.8892
23 P A -0.3083
24 V A 0.3139
25 R A -1.3127
26 A A -0.6337
27 L A 0.5966
28 P A 0.9295
29 L A 2.9218
30 L A 3.3596
31 L A 3.2968
32 L A 2.8412
33 L A 1.7576
34 A A 0.5920
35 G A -0.3263
36 P A -0.3333
37 G A -0.5910
38 A A -0.0539
39 A A -0.0051
40 A A 0.9686
41 P A 0.7628
42 P A 0.7405
43 C A 0.0000
44 L A -0.5509
45 D A -2.0685
46 G A -1.2259
47 S A -0.9937
48 P A -0.9481
49 C A 0.0000
50 A A -0.7520
51 N A -1.1950
52 G A -1.0853
53 G A -0.7122
54 R A 0.0000
55 C A 0.1984
56 T A -0.2247
57 Q A -1.0548
58 L A -0.0036
59 P A -0.6690
60 S A -1.0598
61 R A -1.6397
62 E A -1.6515
63 A A 0.0000
64 A A -0.1129
65 C A 0.2844
66 L A 1.4484
67 C A 0.5740
68 P A 0.0547
69 P A -0.4360
70 G A -0.6871
71 W A -0.4317
72 V A -0.4814
73 G A -1.4586
74 E A -2.0311
75 R A -1.4563
76 C A 0.0000
77 Q A 0.0000
78 L A -0.8141
79 E A -1.7978
80 D A -1.5960
81 P A -1.3100
82 C A 0.0000
83 H A -1.0400
84 S A -0.9597
85 G A -0.7169
86 P A -0.5381
87 C A -0.6482
88 A A -0.5862
89 G A -1.4024
90 R A -1.9668
91 G A -1.1470
92 V A -0.3511
93 C A -1.0292
94 Q A -1.7038
95 S A -1.5589
96 S A -1.4266
97 V A 0.0000
98 V A -0.3051
99 A A -0.6189
100 G A -0.8548
101 T A -0.6644
102 A A -1.0094
103 R A -2.0526
104 F A -1.6687
105 S A -1.6495
106 C A 0.0000
107 R A -2.7142
108 C A -1.9599
109 P A -1.7227
110 R A -2.5132
111 G A -1.2928
112 F A 0.0000
113 R A -2.0817
114 G A -1.8551
115 P A -1.7449
116 D A -2.3761
117 C A -0.9855
118 S A -0.2661
119 L A 0.6896
120 P A -0.2456
121 D A -0.8278
122 P A 0.0527
123 C A 1.0164
124 L A 1.3210
125 S A 0.6162
126 S A -0.5230
127 P A -0.9288
128 C A 0.0000
129 A A -0.5832
130 H A -0.9695
131 G A -1.1340
132 A A -1.1419
133 R A -1.5341
134 C A 0.1581
135 S A 0.0200
136 V A -0.3133
137 G A -0.9815
138 P A -1.3031
139 D A -1.7119
140 G A -1.7204
141 R A -1.6820
142 F A 0.6216
143 L A 0.8704
144 C A 0.4475
145 S A -0.3144
146 C A -0.6435
147 P A -0.7948
148 P A -0.2861
149 G A -0.6392
150 Y A -0.1392
151 Q A -1.4328
152 G A -1.3326
153 R A -1.9358
154 S A -1.0984
155 C A 0.0000
156 R A -2.3444
157 S A -1.7863
158 D A -1.9772
159 V A -1.1022
160 D A -1.9764
161 E A -1.4443
162 C A -1.0330
163 R A -2.1431
164 V A -0.2167
165 G A -1.1005
166 E A -1.8383
167 P A -1.4225
168 C A -2.0814
169 R A -3.0092
170 H A -2.0480
171 G A -1.4390
172 G A -1.4112
173 T A -1.3099
174 C A -0.4055
175 L A 0.6001
176 N A -0.4873
177 T A -0.3107
178 P A -0.7282
179 G A -0.8243
180 S A -0.4640
181 F A -0.6313
182 R A -1.4837
183 C A -1.3083
184 Q A -1.2487
185 C A -0.1686
186 P A 0.0923
187 A A 0.0000
188 G A -0.0297
189 Y A -0.5880
190 T A 0.0000
191 G A -0.2112
192 P A 0.5509
193 L A 1.3905
194 C A 0.3558
195 E A -1.6124
196 N A -1.4032
197 P A -0.9218
198 A A -0.0916
199 V A 0.1936
200 P A 0.2740
201 C A 0.4605
202 A A 0.0000
203 P A -0.6775
204 S A -0.9762
205 P A -1.2152
206 C A -1.4197
207 R A -2.6022
208 N A -2.3233
209 G A -1.4650
210 G A -0.8239
211 T A -0.6624
212 C A -1.1664
213 R A -2.1436
214 Q A -1.5561
215 S A -1.5181
216 G A -1.4414
217 D A -1.4384
218 L A 0.1297
219 T A -0.3668
220 Y A -0.6273
221 D A -1.5872
222 C A -1.1860
223 A A -0.9670
224 C A 0.0000
225 L A 0.0446
226 P A -0.5056
227 G A -0.1534
228 F A 0.9401
229 E A -1.1557
230 G A -1.4044
231 Q A -2.3278
232 N A -2.5474
233 C A -1.4559
234 E A -2.2637
235 V A -1.4292
236 N A -1.9630
237 V A -2.1041
238 D A -3.3521
239 D A -3.3529
240 C A 0.0000
241 P A -1.4415
242 G A -1.7057
243 H A -2.1947
244 R A -2.5179
245 C A -1.4865
246 L A -1.0027
247 N A -1.6565
248 G A -1.0533
249 G A -0.9625
250 T A -0.3228
251 C A -0.2380
252 V A -0.0651
253 D A -2.0005
254 G A -2.0937
255 V A 0.0000
256 N A -2.9389
257 T A -2.0815
258 Y A -1.5100
259 N A -1.3946
260 C A -0.7604
261 Q A -1.2555
262 C A 0.0000
263 P A -0.8658
264 P A -0.7979
265 E A -1.0258
266 W A 0.0000
267 T A -0.5149
268 G A -1.0594
269 Q A -1.0071
270 F A 0.0241
271 C A 0.0000
272 T A -1.0702
273 E A -1.5882
274 D A 0.0000
275 V A -0.7032
276 D A -1.4560
277 E A -0.9696
278 C A -0.4911
279 Q A -1.3775
280 L A -0.3578
281 Q A -0.4106
282 P A -0.4738
283 N A -1.0214
284 A A 0.0000
285 C A 0.0000
286 H A 0.0000
287 N A 0.0000
288 G A 0.0618
289 G A 0.1210
290 T A 0.5796
291 C A 0.0000
292 F A 1.5576
293 N A 0.0000
294 T A 0.5056
295 L A 1.1623
296 G A 0.1521
297 G A -0.4844
298 H A -0.1878
299 S A 0.2394
300 C A 0.0000
301 V A 1.4336
302 C A 1.2434
303 V A 2.0803
304 N A 0.0000
305 G A 0.7258
306 W A 0.8592
307 T A 0.3058
308 G A -0.4826
309 E A -1.2923
310 S A -1.2664
311 C A 0.0000
312 S A -2.4850
313 Q A 0.0000
314 N A 0.0000
315 I A 0.4612
316 D A -0.3478
317 D A 0.0000
318 C A 0.0000
319 A A 0.2994
320 T A -0.1926
321 A A 0.0000
322 V A 0.0000
323 C A 1.0483
324 F A 1.3792
325 H A -0.2588
326 G A -0.6676
327 A A -0.1531
328 T A 0.1677
329 C A 0.8953
330 H A 0.1477
331 D A -0.1585
332 R A -0.2131
333 V A 0.4371
334 A A 0.1530
335 S A 0.1214
336 F A 0.9824
337 Y A 1.5005
338 C A 0.9153
339 A A 0.3604
340 C A 0.0000
341 P A -0.2346
342 M A 0.0000
343 G A -0.4784
344 K A -0.8327
345 T A 0.0000
346 G A -0.2900
347 L A 0.5061
348 L A 0.0000
349 C A -0.0064
350 H A -0.3712
351 L A -0.1260
352 D A -0.7447
353 D A -1.0604
354 A A 0.0000
355 C A -0.3085
356 V A 0.0000
357 S A -1.0460
358 N A -1.9173
359 P A -1.6364
360 R A -1.9528
361 H A 0.0000
362 E A -2.2694
363 D A -1.1757
364 A A 0.0000
365 I A 1.0917
366 C A 0.4382
367 D A -1.0641
368 T A -0.6666
369 N A -1.0349
370 P A -1.2480
371 V A 0.0000
372 N A -0.7173
373 G A 0.0000
374 R A 0.0000
375 A A 0.0000
376 I A 0.6568
377 C A 0.7875
378 T A 0.6903
379 C A 0.5189
380 P A 0.2572
381 P A 0.0000
382 G A -0.9956
383 F A -0.6742
384 T A -0.9715
385 G A -0.6132
386 G A -0.6299
387 A A -0.1438
388 C A -0.7073
389 D A -2.0877
390 Q A -2.0136
391 D A -2.5758
392 V A 0.0000
393 D A -2.1628
394 E A 0.0000
395 C A 0.0000
396 S A -0.8233
397 I A -0.2683
398 G A -0.7422
399 A A -0.2562
400 N A -0.4877
401 P A -0.7017
402 C A 0.0000
403 E A -1.1039
404 H A -1.2128
405 L A -0.8530
406 G A -1.2733
407 R A -1.8378
408 C A -0.6137
409 V A -0.1556
410 N A -0.9422
411 T A -1.4394
412 Q A -1.8665
413 G A -1.6547
414 S A 0.0000
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A -1.1703
419 C A -1.3238
420 G A -1.2623
421 R A -1.8507
422 G A -0.8872
423 Y A -0.1060
424 T A 0.0000
425 G A 0.0000
426 P A -0.6463
427 R A 0.0000
428 C A 0.0000
429 E A -1.1552
430 T A -0.3026
431 D A -0.0552
432 V A 0.2066
433 N A -0.7631
434 E A -1.3280
435 C A -0.1881
436 L A 0.0795
437 S A -0.2437
438 G A -0.3117
439 P A -0.6674
440 C A -0.4485
441 R A -1.1761
442 N A -1.2523
443 Q A 0.0000
444 A A 0.0000
445 T A 0.6058
446 C A 0.0000
447 L A 0.8296
448 D A 0.2280
449 R A 0.2467
450 I A 1.1043
451 G A -0.3669
452 Q A -0.9981
453 F A -0.0343
454 T A 0.3348
455 C A 0.0000
456 I A 1.4319
457 C A 0.0000
458 M A 0.8139
459 A A -0.4088
460 G A -0.2988
461 F A -0.1166
462 T A -0.2553
463 G A -0.0287
464 T A 0.3050
465 Y A 1.0190
466 C A 0.0000
467 E A -1.0222
468 V A -0.9320
469 D A -2.2395
470 I A 0.0000
471 D A -3.3055
472 E A -2.7520
473 C A 0.0000
474 Q A -2.4175
475 S A -1.3302
476 S A -0.5622
477 P A -0.2377
478 C A 0.2706
479 V A 0.1481
480 N A -0.6904
481 G A -0.0240
482 G A 0.4615
483 V A 1.1516
484 C A -0.5186
485 K A -2.6627
486 D A -3.6364
487 R A -2.4919
488 V A 0.0879
489 N A 0.0000
490 G A -0.8883
491 F A 0.0000
492 S A -0.9296
493 C A 0.0000
494 T A 0.2974
495 C A 0.1666
496 P A -0.2844
497 S A -0.7877
498 G A -0.9720
499 F A 0.0000
500 S A -0.4811
501 G A -0.4014
502 S A -0.0322
503 T A 0.0000
504 C A -0.1375
505 Q A -0.4553
506 L A -0.1398
507 D A -0.9918
508 V A -1.6329
509 D A -1.8326
510 E A -1.7892
511 C A 0.0000
512 A A -0.5759
513 S A -0.4120
514 T A -0.8651
515 P A -0.7051
516 C A -1.2233
517 R A -2.6847
518 N A -2.4743
519 G A -2.1171
520 A A -2.0827
521 K A -2.1716
522 C A 0.0000
523 V A -0.7806
524 D A -1.5768
525 Q A -2.0498
526 P A -2.0971
527 D A -2.5610
528 G A -1.7323
529 Y A -1.2029
530 E A -1.6310
531 C A -1.6501
532 R A -2.7950
533 C A 0.0000
534 A A -1.9171
535 E A -2.2893
536 G A -1.6569
537 F A -0.8981
538 E A -2.2139
539 G A -1.1933
540 T A -0.5794
541 L A 0.3980
542 C A 0.0000
543 D A -2.0466
544 R A -2.3173
545 N A -2.4667
546 V A -1.7165
547 D A -2.8283
548 D A -2.2515
549 C A -0.9217
550 S A -1.2815
551 P A -0.6782
552 D A -0.9194
553 P A -1.1740
554 C A -1.2440
555 H A -1.2475
556 H A -1.3233
557 G A -1.5702
558 R A -1.5406
559 C A -0.0738
560 V A 0.4298
561 D A -0.6190
562 G A -0.3794
563 I A -0.2382
564 A A -0.5380
565 S A -0.0129
566 F A 1.0955
567 S A 0.0000
568 C A 0.0000
569 A A -0.8186
570 C A 0.0000
571 A A -0.4747
572 P A -0.4225
573 G A -0.4139
574 Y A 0.2876
575 T A -0.5632
576 G A -1.3211
577 T A -1.2911
578 R A -2.3894
579 C A -1.6503
580 E A -1.8751
581 S A -1.1854
582 Q A -1.2553
583 V A -0.3764
584 D A -1.9867
585 E A -2.8543
586 C A 0.0000
587 R A -3.0402
588 S A -2.8632
589 Q A -2.8527
590 P A -1.9429
591 C A 0.0000
592 R A -2.5490
593 H A -2.8471
594 G A -1.8918
595 G A -2.0201
596 K A -2.5435
597 C A 0.0000
598 L A 0.1139
599 D A -0.3950
600 L A 0.8793
601 V A 0.9048
602 D A -1.2451
603 K A -1.5968
604 Y A 0.0000
605 L A -0.0995
606 C A -1.0445
607 R A -2.2074
608 C A -1.9675
609 P A -1.3210
610 S A -1.5946
611 G A -1.1793
612 T A -0.9266
613 T A -0.8678
614 G A -0.3611
615 V A 0.6125
616 N A -1.0434
617 C A 0.0000
618 E A -1.7780
619 V A -1.3781
620 N A -1.4670
621 I A -1.1803
622 D A -2.4492
623 D A -2.0842
624 C A -0.8893
625 A A -0.4918
626 S A -0.3795
627 N A -0.7079
628 P A 0.2438
629 C A 0.0000
630 T A 1.3303
631 F A 2.3860
632 G A 1.6908
633 V A 1.9363
634 C A 0.4829
635 R A -1.5700
636 D A -1.8630
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1972 E A -1.7219
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1974 T A 0.0000
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1976 L A 0.0000
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1982 E A -2.2748
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1986 E A -2.0992
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1995 F A 0.0000
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1997 N A 0.0000
1998 R A 0.0000
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2000 I A -0.9895
2001 T A -0.8371
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2003 H A -2.2146
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2254 H A -1.3008
2255 W A -0.1363
2256 A A -0.2725
2257 S A -0.4631
2258 P A -0.6554
2259 S A -0.6898
2260 P A -0.4430
2261 P A -0.2829
2262 S A 0.0933
2263 L A 0.5602
2264 S A -0.4638
2265 D A -1.8021
2266 W A -0.4319
2267 S A -1.4116
2268 E A -2.4231
2269 S A -1.9705
2270 T A -1.0592
2271 P A -0.9766
2272 S A -0.3195
2273 P A -0.2372
2274 A A -0.1515
2275 T A 0.0785
2276 A A 0.0646
2277 T A 0.0780
2278 G A 0.0618
2279 A A 0.3071
2280 M A 0.9560
2281 A A 0.7894
2282 T A 0.4741
2283 T A 0.2541
2284 T A 0.0974
2285 G A -0.0247
2286 A A 0.1223
2287 L A 0.6876
2288 P A -0.0208
2289 A A -0.2900
2290 Q A -0.8884
2291 P A -0.0181
2292 L A -0.0056
2293 P A 0.2862
2294 L A 1.1606
2295 S A 0.5898
2296 V A 0.1939
2297 P A 0.0000
2298 S A -0.0681
2299 S A 0.2753
2300 L A 0.4632
2301 A A 0.3588
2302 Q A 0.0000
2303 A A -0.1053
2304 Q A 0.0000
2305 T A -1.0563
2306 Q A -1.9022
2307 L A -0.7592
2308 G A -1.1280
2309 P A -1.2336
2310 Q A -1.8391
2311 P A -1.5136
2312 E A -1.8273
2313 V A -1.2625
2314 T A -1.3641
2315 P A -1.5142
2316 K A -1.9823
2317 R A -2.1820
2318 Q A -0.9940
2319 V A 0.9996
2320 L A 1.2310
2321 A A 0.8148
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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, -0.5987 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 -0.5987 View CSV PDB
model_3 -0.621 View CSV PDB
model_0 -0.6212 View CSV PDB
model_8 -0.6293 View CSV PDB
model_1 -0.6306 View CSV PDB
model_9 -0.6314 View CSV PDB
model_7 -0.6369 View CSV PDB
model_10 -0.638 View CSV PDB
CABS_average -0.6386 View CSV PDB
model_6 -0.642 View CSV PDB
model_4 -0.6438 View CSV PDB
model_5 -0.6719 View CSV PDB
model_11 -0.6984 View CSV PDB
input -0.7609 View CSV PDB