Project name: C504G_10_4D

Status: done

Started: 2026-06-12 06:48:26
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTGQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:27)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:38:35)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:39:38)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:40:38)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:41:36)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:42:41)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:43:40)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:44:44)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:45:50)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:46:44)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:47:48)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:48:51)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:49:59)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:51:08)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:53:29)
[INFO]       Main:     Simulation completed successfully.                                          (12:54:42)
Show buried residues

Minimal score value
-3.9462
Maximal score value
5.4158
Average score
-0.547
Total score value
-1269.51

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 0.5263
2 G A -0.6944
3 P A -0.6886
4 G A -1.8564
5 A A -2.1094
6 R A 0.0000
7 G A -2.4873
8 R A -3.6543
9 R A -3.8354
10 R A -3.2121
11 R A -3.3022
12 R A -2.3097
13 R A -1.6133
14 P A -0.9846
15 M A 0.2013
16 S A -0.4603
17 P A -0.6622
18 P A -0.7871
19 P A -1.2717
20 P A 0.0000
21 P A -1.0418
22 P A 0.0000
23 P A 0.0000
24 V A -0.5412
25 R A -0.8902
26 A A -0.1851
27 L A 0.5971
28 P A 1.0045
29 L A 2.8926
30 L A 3.6910
31 L A 3.8784
32 L A 3.6052
33 L A 2.7277
34 A A 0.0000
35 G A 0.2464
36 P A -0.3087
37 G A -1.4853
38 A A 0.0000
39 A A -1.2018
40 A A -1.0533
41 P A 0.0000
42 P A -1.0292
43 C A 0.0000
44 L A -0.4903
45 D A -1.1473
46 G A -0.8480
47 S A -0.4478
48 P A -0.5642
49 C A -0.5407
50 A A -0.7948
51 N A -1.4905
52 G A -1.3464
53 G A -1.1422
54 R A -1.2064
55 C A -0.6992
56 T A -0.6865
57 Q A -1.8414
58 L A -1.1520
59 P A -1.2753
60 S A -1.7651
61 R A -3.1307
62 E A -3.0526
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.1592
67 C A -0.3497
68 P A 0.0000
69 P A -0.9658
70 G A -1.0478
71 W A -0.9355
72 V A 0.0000
73 G A 0.0000
74 E A -1.1391
75 R A -2.3726
76 C A 0.0000
77 Q A -2.1833
78 L A -1.5791
79 E A -2.1150
80 D A -1.9031
81 P A -1.6633
82 C A -1.3377
83 H A -1.4787
84 S A -1.2182
85 G A -0.7525
86 P A -0.4902
87 C A -0.8384
88 A A -1.3386
89 G A -1.9112
90 R A -2.5158
91 G A -1.5661
92 V A -0.5057
93 C A -0.9714
94 Q A -1.4730
95 S A -1.3113
96 S A -0.8763
97 V A 0.0876
98 V A 0.6453
99 A A 0.0511
100 G A -0.6016
101 T A -0.6447
102 A A -1.2445
103 R A -2.2387
104 F A 0.0000
105 S A -1.7863
106 C A 0.0000
107 R A -2.7114
108 C A 0.0000
109 P A -2.1328
110 R A -2.8009
111 G A -1.9104
112 F A -1.4008
113 R A -2.0169
114 G A -1.7059
115 P A -1.7705
116 D A -2.4760
117 C A -1.2199
118 S A -0.8251
119 L A -0.6894
120 P A -0.9719
121 D A -1.1382
122 P A -0.4052
123 C A -0.0120
124 L A 1.2768
125 S A 0.6974
126 S A 0.0314
127 P A -0.6041
128 C A -0.3312
129 A A -0.3840
130 H A -0.8226
131 G A -0.9030
132 A A -1.0090
133 R A -1.6522
134 C A -0.1619
135 S A 0.2558
136 V A 0.9629
137 G A -0.4271
138 P A -1.3526
139 D A -2.1391
140 G A -1.5501
141 R A -1.4612
142 F A 0.0000
143 L A -0.8622
144 C A 0.0000
145 S A -1.3186
146 C A -0.8933
147 P A -0.9797
148 P A -0.8543
149 G A -0.9384
150 Y A -1.3352
151 Q A -2.1632
152 G A 0.0000
153 R A -2.3511
154 S A -1.8862
155 C A -1.8456
156 R A -2.4830
157 S A -1.9469
158 D A -2.0613
159 V A -0.6720
160 D A -1.0024
161 E A -1.2526
162 C A -0.7432
163 R A -1.8282
164 V A -1.0689
165 G A -0.8553
166 E A 0.0000
167 P A -1.0175
168 C A -1.2218
169 R A -2.4566
170 H A -2.4007
171 G A -1.6098
172 G A -1.2662
173 T A 0.0000
174 C A -0.8604
175 L A -0.2042
176 N A -0.3293
177 T A -0.3703
178 P A -0.4575
179 G A -0.5103
180 S A -0.0363
181 F A 0.3899
182 R A -1.0130
183 C A -0.7291
184 Q A -1.3427
185 C A -1.1892
186 P A -0.4316
187 A A -0.3721
188 G A -0.1822
189 Y A 0.3890
190 T A 0.1009
191 G A -0.3625
192 P A 0.0008
193 L A 1.0004
194 C A 0.0000
195 E A -0.5516
196 N A -0.8920
197 P A -0.8006
198 A A -0.1588
199 V A 0.3388
200 P A -0.1248
201 C A -0.4744
202 A A -0.3902
203 P A -0.5774
204 S A -0.8149
205 P A -1.1434
206 C A 0.0000
207 R A -2.7582
208 N A -2.1969
209 G A -1.0393
210 G A -1.2093
211 T A 0.0000
212 C A -1.0444
213 R A -2.4173
214 Q A -2.2541
215 S A -1.7789
216 G A -1.5921
217 D A -2.1272
218 L A -1.2892
219 T A -1.0754
220 Y A 0.0000
221 D A -1.5337
222 C A -0.5707
223 A A 0.1462
224 C A 0.0000
225 L A 0.9799
226 P A 0.8362
227 G A 0.9589
228 F A 1.5797
229 E A 0.0000
230 G A -0.9366
231 Q A -1.6666
232 N A -1.6958
233 C A -0.6583
234 E A -1.0386
235 V A 0.0000
236 N A -0.0180
237 V A 1.4308
238 D A 0.2141
239 D A -0.6311
240 C A -0.2762
241 P A -0.7469
242 G A -1.1755
243 H A -1.6211
244 R A -2.1812
245 C A -1.2498
246 L A -1.0420
247 N A -1.7067
248 G A -1.3360
249 G A -0.9745
250 T A 0.0000
251 C A -0.3206
252 V A 0.0643
253 D A -0.0581
254 G A -0.1630
255 V A 0.0104
256 N A -0.1981
257 T A -0.0811
258 Y A 0.1421
259 N A -0.5057
260 C A 0.0000
261 Q A -1.3785
262 C A 0.0000
263 P A -1.0561
264 P A 0.0000
265 E A -1.8290
266 W A -1.2291
267 T A -0.7757
268 G A -0.8350
269 Q A -0.5521
270 F A 0.7451
271 C A 0.0000
272 T A -1.1579
273 E A -1.5795
274 D A -1.1883
275 V A -0.4430
276 D A -0.7722
277 E A -0.8770
278 C A -0.5746
279 Q A -1.3991
280 L A -0.5764
281 Q A -1.4070
282 P A -1.0691
283 N A -0.7190
284 A A -0.1653
285 C A 0.1808
286 H A -0.4028
287 N A -1.1811
288 G A -0.8446
289 G A 0.3308
290 T A 0.8804
291 C A 0.9610
292 F A 1.9143
293 N A 0.4904
294 T A 0.5537
295 L A 1.0065
296 G A -0.0607
297 G A -0.1727
298 H A -0.4228
299 S A 0.2923
300 C A 1.1473
301 V A 2.1096
302 C A 1.3180
303 V A 1.5521
304 N A 0.4523
305 G A -0.7300
306 W A -0.2511
307 T A -1.1833
308 G A -0.9822
309 E A -1.9386
310 S A -1.4820
311 C A 0.0000
312 S A -1.0967
313 Q A -0.8835
314 N A -1.3911
315 I A -0.6986
316 D A -2.1356
317 D A -1.6017
318 C A -0.2302
319 A A 0.1022
320 T A 0.6531
321 A A 1.7689
322 V A 2.1781
323 C A 2.0901
324 F A 2.1126
325 H A 0.0394
326 G A -0.4324
327 A A 0.4117
328 T A 0.4579
329 C A 0.5977
330 H A -0.6389
331 D A -1.5587
332 R A -1.3326
333 V A 0.4726
334 A A 0.0338
335 S A 0.4092
336 F A 1.5017
337 Y A 1.3669
338 C A 0.0000
339 A A 0.9704
340 C A 0.0000
341 P A 0.4143
342 M A 0.4025
343 G A -0.3354
344 K A -0.3048
345 T A 0.0000
346 G A 0.8307
347 L A 2.4588
348 L A 2.5814
349 C A 2.0229
350 H A 0.8180
351 L A 0.5885
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 0.1391
356 V A 0.4368
357 S A 0.0000
358 N A -0.5903
359 P A -0.4086
360 C A -0.5590
361 H A -1.4987
362 E A -2.6353
363 D A -2.3837
364 A A -0.2925
365 I A 1.2746
366 C A 0.0000
367 D A 0.1007
368 T A -0.1297
369 N A 0.0000
370 P A 0.6284
371 V A 0.8075
372 N A -0.5067
373 G A -0.6477
374 R A -0.2647
375 A A 0.7281
376 I A 1.9747
377 C A 1.4014
378 T A 0.8914
379 C A 0.0000
380 P A -0.1161
381 P A -0.5954
382 G A -0.3998
383 F A 0.2418
384 T A -0.3084
385 G A -0.5473
386 G A -0.6295
387 A A -0.2132
388 C A -0.2341
389 D A -0.8618
390 Q A -1.4621
391 D A -2.2733
392 V A -1.5608
393 D A -1.6305
394 E A -2.0147
395 C A -0.4614
396 S A 0.3123
397 I A 1.9115
398 G A 0.9794
399 A A 0.6063
400 N A -0.6621
401 P A -0.8791
402 C A -1.2845
403 E A -1.8196
404 H A -1.2371
405 L A -0.0013
406 G A -0.9159
407 R A -1.8404
408 C A -0.0575
409 V A 0.2719
410 N A -0.7047
411 T A -0.6563
412 Q A -1.4488
413 G A -0.7609
414 S A 0.3687
415 F A 1.5500
416 L A 0.9516
417 C A 0.0589
418 Q A -1.1252
419 C A 0.0000
420 G A -1.6544
421 R A -2.4783
422 G A -1.7205
423 Y A -0.8710
424 T A -0.9132
425 G A -0.7640
426 P A -0.8785
427 R A -1.0050
428 C A 0.0000
429 E A -2.3708
430 T A -2.2370
431 D A -1.8923
432 V A -1.7276
433 N A -2.0364
434 E A -1.5988
435 C A -0.2331
436 L A 0.5104
437 S A 0.0162
438 G A -0.0547
439 P A -0.2373
440 C A -0.4156
441 R A 0.0000
442 N A -1.6059
443 Q A -0.6335
444 A A -0.1001
445 T A 0.0296
446 C A 0.0063
447 L A 0.0000
448 D A -1.6909
449 R A -2.0043
450 I A -0.0850
451 G A -0.8066
452 Q A -1.4690
453 F A -0.5911
454 T A -0.1280
455 C A 0.0000
456 I A 0.7891
457 C A 0.6257
458 M A 0.0704
459 A A -0.1742
460 G A -0.4331
461 F A 0.4660
462 T A 0.2988
463 G A 0.0000
464 T A 0.5223
465 Y A 1.4984
466 C A 0.0000
467 E A 0.0000
468 V A 0.0000
469 D A 0.0000
470 I A 0.4260
471 D A -0.8496
472 E A -2.0797
473 C A -1.3333
474 Q A -1.8799
475 S A -1.0353
476 S A -0.0665
477 P A 0.4038
478 C A 1.2721
479 V A 1.7995
480 N A -0.0128
481 G A -0.2807
482 G A 0.6962
483 V A 0.9782
484 C A -0.4119
485 K A -1.8853
486 D A -2.2773
487 R A -1.9389
488 V A 0.0683
489 N A -0.4594
490 G A -0.5548
491 F A 0.1075
492 S A -0.1960
493 C A 0.7289
494 T A 0.7865
495 C A 1.0426
496 P A 0.5845
497 S A -0.1484
498 G A -0.3741
499 F A 0.9005
500 S A -0.2804
501 G A -0.9819
502 S A -1.0181
503 T A -0.9058
504 G A -1.0259
505 Q A -1.3311
506 L A -0.4806
507 D A -1.8630
508 V A -1.6608
509 D A -3.0657
510 E A -2.1391
511 C A -0.6659
512 A A -0.3256
513 S A -0.1241
514 T A -0.3132
515 P A -0.2985
516 C A -0.9553
517 R A -2.3919
518 N A -1.6051
519 G A -1.8681
520 A A -2.4220
521 K A -2.6175
522 C A -1.5520
523 V A -1.0085
524 D A -2.4847
525 Q A -2.8275
526 P A -2.5100
527 D A -2.7531
528 G A -2.0108
529 Y A -1.3544
530 E A -2.0539
531 C A -1.9915
532 R A -2.7064
533 C A -1.7373
534 A A -1.3857
535 E A -1.1691
536 G A -1.1292
537 F A -0.6082
538 E A -1.1693
539 G A -0.7988
540 T A -0.0436
541 L A 0.8308
542 C A -0.5078
543 D A 0.0000
544 R A -1.6041
545 N A -1.1887
546 V A -0.9288
547 D A -2.5336
548 D A -2.9150
549 C A 0.0000
550 S A -2.2116
551 P A -2.1017
552 D A -2.4562
553 P A -1.6991
554 C A -2.4040
555 H A -2.0338
556 H A -2.4212
557 G A -2.3240
558 R A -2.2726
559 C A 0.0000
560 V A 0.6001
561 D A 0.3024
562 G A 0.7435
563 I A 1.5288
564 A A 0.7492
565 S A 0.5125
566 F A 0.3887
567 S A -0.2403
568 C A 0.0000
569 A A -0.9224
570 C A 0.0000
571 A A -0.6169
572 P A 0.0758
573 G A -0.3566
574 Y A -1.1669
575 T A -1.7401
576 G A -1.3632
577 T A -1.3569
578 R A -2.3438
579 C A 0.0000
580 E A -2.7849
581 S A -1.9239
582 Q A -1.8700
583 V A -1.0587
584 D A -2.2165
585 E A -1.9079
586 C A -1.1555
587 R A -2.3853
588 S A -1.9053
589 Q A -1.7309
590 P A -1.3075
591 C A -2.1076
592 R A -3.3222
593 H A -2.9597
594 G A -2.2787
595 G A -2.8014
596 K A -2.6729
597 C A -1.0466
598 L A -0.0995
599 D A -0.4025
600 L A 0.5465
601 V A 0.9034
602 D A -0.8934
603 K A -1.6956
604 Y A -0.7302
605 L A -0.1370
606 C A 0.0000
607 R A -2.6774
608 C A 0.0000
609 P A -1.8810
610 S A -1.8508
611 G A -1.8317
612 T A -1.5561
613 T A -1.0040
614 G A -0.5600
615 V A -0.0830
616 N A -1.6684
617 C A 0.0000
618 E A -1.6440
619 V A 0.0000
620 N A -2.0594
621 I A -1.8314
622 D A -2.4845
623 D A -1.9266
624 C A -1.1145
625 A A -0.5409
626 S A -0.6194
627 N A -1.2504
628 P A -0.2405
629 C A 0.7344
630 T A 0.7833
631 F A 1.9794
632 G A 1.2721
633 V A 1.4759
634 C A 0.0000
635 R A -1.8184
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2247 P A -0.2174
2248 S A 0.0000
2249 P A -1.2068
2250 E A -2.1340
2251 S A -1.4136
2252 P A -1.2768
2253 E A -1.9731
2254 H A 0.0000
2255 W A 0.7026
2256 A A 0.0000
2257 S A 0.7112
2258 P A 0.2561
2259 S A 0.8073
2260 P A 0.6157
2261 P A 0.7086
2262 S A 0.9725
2263 L A 1.1827
2264 S A -0.3811
2265 D A -1.8518
2266 W A -1.2199
2267 S A -1.0769
2268 E A -1.4496
2269 S A -0.2529
2270 T A -0.0727
2271 P A 0.0000
2272 S A -0.1366
2273 P A -0.2571
2274 A A 0.0000
2275 T A 0.0000
2276 A A 0.0000
2277 T A -1.0435
2278 G A -0.7766
2279 A A -0.6257
2280 M A 0.0355
2281 A A -0.5613
2282 T A -0.7643
2283 T A 0.0000
2284 T A 0.0000
2285 G A -1.0113
2286 A A -0.6167
2287 L A 0.0000
2288 P A -0.1175
2289 A A 0.0000
2290 Q A 0.0000
2291 P A -0.4689
2292 L A 0.0203
2293 P A -0.1313
2294 L A 0.0000
2295 S A 0.3647
2296 V A 1.3080
2297 P A 0.8937
2298 S A 1.3126
2299 S A 1.2154
2300 L A 1.3979
2301 A A 0.5072
2302 Q A -0.3001
2303 A A -0.3656
2304 Q A -1.0743
2305 T A -1.3815
2306 Q A -1.5603
2307 L A -0.5847
2308 G A -0.0058
2309 P A 0.0379
2310 Q A 0.5355
2311 P A 0.3158
2312 E A 0.0000
2313 V A 0.9260
2314 T A 0.0000
2315 P A -1.2210
2316 K A -2.7309
2317 R A -2.5864
2318 Q A -1.3153
2319 V A 0.2666
2320 L A 1.4285
2321 A A 0.8241
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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, -0.547 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_6 -0.547 View CSV PDB
model_2 -0.5678 View CSV PDB
model_10 -0.5696 View CSV PDB
model_4 -0.5741 View CSV PDB
model_7 -0.5742 View CSV PDB
model_0 -0.5742 View CSV PDB
model_1 -0.5745 View CSV PDB
CABS_average -0.5903 View CSV PDB
model_3 -0.5908 View CSV PDB
model_5 -0.5989 View CSV PDB
model_9 -0.6048 View CSV PDB
model_11 -0.6505 View CSV PDB
model_8 -0.6566 View CSV PDB
input -0.7547 View CSV PDB