Project name: C466W_4D

Status: done

Started: 2026-05-14 00:42:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYWEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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                                                (00:33:38)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:05:52)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:06:36)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:07:19)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:08:03)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (13:08:46)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (13:09:30)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (13:10:13)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (13:10:57)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (13:11:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (13:12:27)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (13:13:11)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (13:13:55)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (13:14:38)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:16:03)
[INFO]       Main:     Simulation completed successfully.                                          (13:16:45)
Show buried residues

Minimal score value
-5.0591
Maximal score value
3.5058
Average score
-0.6064
Total score value
-1407.4905

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 -0.6738
2 G A -0.3437
3 P A -1.4297
4 G A -1.7591
5 A A -2.0211
6 R A -3.5258
7 G A -3.5910
8 R A -4.3805
9 R A -4.6329
10 R A -5.0591
11 R A -4.5246
12 R A -3.8588
13 R A -2.6592
14 P A -1.5925
15 M A -0.3762
16 S A -0.5201
17 P A -0.6186
18 P A -0.5955
19 P A -0.6389
20 P A -0.7887
21 P A -0.5056
22 P A -0.2363
23 P A 0.0000
24 V A 0.4384
25 R A -1.0183
26 A A -0.0662
27 L A 1.4904
28 P A 1.3291
29 L A 2.1960
30 L A 2.8918
31 L A 1.8477
32 L A 1.7291
33 L A 2.2093
34 A A 1.5404
35 G A 0.7991
36 P A 0.5534
37 G A 0.0622
38 A A -0.3510
39 A A -0.6020
40 A A -0.6229
41 P A -0.6360
42 P A -0.6293
43 C A -0.7039
44 L A -0.2859
45 D A -1.7316
46 G A -1.9452
47 S A -1.4998
48 P A -1.4609
49 C A 0.0000
50 A A -1.0173
51 N A -1.5141
52 G A -1.3760
53 G A -1.5993
54 R A -2.3016
55 C A 0.0000
56 T A -1.4674
57 Q A -2.2674
58 L A -1.2867
59 P A -1.2439
60 S A -1.5194
61 R A -2.7390
62 E A -2.0632
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 -1.0418
69 P A -0.8637
70 G A -1.0331
71 W A -0.7767
72 V A 0.0000
73 G A -0.8938
74 E A -1.5895
75 R A -2.1921
76 C A -1.0741
77 Q A -1.1552
78 L A -1.1795
79 E A -1.4671
80 D A -1.3550
81 P A -0.9476
82 C A 0.0000
83 H A -1.0637
84 S A -0.7379
85 G A -1.0615
86 P A -1.0204
87 C A 0.0000
88 A A -0.9042
89 G A -1.0254
90 R A -1.4910
91 G A -0.8278
92 V A -0.4055
93 C A -0.5626
94 Q A -0.9645
95 S A 0.0000
96 S A -0.6019
97 V A -0.2312
98 V A 0.0717
99 A A -0.5065
100 G A -0.7420
101 T A -0.5755
102 A A -0.9290
103 R A -1.4198
104 F A -0.6110
105 S A -0.9894
106 C A -1.2817
107 R A -1.9466
108 C A -1.2202
109 P A -1.1618
110 R A -2.0440
111 G A -1.2294
112 F A -0.8657
113 R A -1.4554
114 G A -1.1727
115 P A -1.3476
116 D A -2.1020
117 C A 0.0000
118 S A 0.0000
119 L A -0.5521
120 P A 0.0000
121 D A -2.0275
122 P A -1.0916
123 C A 0.0000
124 L A 1.5327
125 S A 0.2377
126 S A -0.4632
127 P A -0.5028
128 C A -0.3356
129 A A -0.2555
130 H A -0.8298
131 G A -0.8973
132 A A -1.2003
133 R A -1.7901
134 C A -0.9677
135 S A -1.1005
136 V A 0.0000
137 G A -1.3895
138 P A -1.7894
139 D A -2.2094
140 G A -1.7976
141 R A -2.3006
142 F A 0.0000
143 L A -0.0548
144 C A 0.0000
145 S A -0.9827
146 C A -0.8745
147 P A -0.5088
148 P A -0.5751
149 G A -0.9792
150 Y A 0.0000
151 Q A 0.0000
152 G A -1.2472
153 R A -1.8916
154 S A 0.0000
155 C A 0.0000
156 R A -1.3016
157 S A -1.5802
158 D A -1.7382
159 V A -1.1097
160 D A -1.9839
161 E A 0.0000
162 C A -0.0392
163 R A -0.7527
164 V A 0.6837
165 G A -0.1724
166 E A -0.8797
167 P A -0.9430
168 C A 0.0000
169 R A -2.4173
170 H A -2.3233
171 G A -1.6429
172 G A -0.9771
173 T A -0.8640
174 C A 0.0845
175 L A 0.4276
176 N A -0.9229
177 T A -0.6879
178 P A -0.8615
179 G A -0.7942
180 S A -0.6968
181 F A -0.6299
182 R A -1.1460
183 C A 0.0000
184 Q A -0.8504
185 C A 0.0000
186 P A -0.3471
187 A A 0.3913
188 G A 0.3546
189 Y A 0.4934
190 T A 0.0745
191 G A -0.5131
192 P A -0.1188
193 L A 0.4770
194 C A 0.0000
195 E A -1.7842
196 N A -1.1746
197 P A -0.4140
198 A A 0.6082
199 V A 1.0781
200 P A 0.1919
201 C A -0.0186
202 A A -0.1020
203 P A -0.9283
204 S A -0.7399
205 P A -1.0708
206 C A -0.6330
207 R A -1.1989
208 N A -2.0229
209 G A -1.2543
210 G A -0.9525
211 T A -1.3165
212 C A 0.0000
213 R A -2.5414
214 Q A -1.9173
215 S A -1.6379
216 G A -1.6356
217 D A -1.7751
218 L A -0.7647
219 T A -1.1197
220 Y A 0.0000
221 D A -2.2648
222 C A 0.0000
223 A A -1.5561
224 C A 0.0000
225 L A 0.5105
226 P A 0.3557
227 G A 0.5276
228 F A 0.0000
229 E A -1.1514
230 G A -1.2828
231 Q A -2.3920
232 N A -2.7013
233 C A -1.4369
234 E A -1.7593
235 V A 0.0261
236 N A -0.0150
237 V A 0.4218
238 D A -0.6222
239 D A -1.7448
240 C A 0.0000
241 P A -1.6776
242 G A -1.7158
243 H A -1.7896
244 R A -1.9720
245 C A -1.0524
246 L A -0.6622
247 N A -1.0203
248 G A -1.1068
249 G A -0.9439
250 T A -0.7452
251 C A -0.4735
252 V A -0.1248
253 D A -0.1880
254 G A 0.4273
255 V A 1.2985
256 N A 0.4913
257 T A 0.2699
258 Y A 0.5539
259 N A -0.4319
260 C A -0.4714
261 Q A -0.8972
262 C A 0.0000
263 P A -1.0414
264 P A -1.0579
265 E A -1.4056
266 W A -1.0952
267 T A -0.8193
268 G A -0.8169
269 Q A -0.7528
270 F A 0.4271
271 C A -0.6920
272 T A -0.8666
273 E A -0.8777
274 D A -1.1254
275 V A -0.7886
276 D A -1.5677
277 E A 0.0000
278 C A -0.0827
279 Q A -0.0177
280 L A 0.6519
281 Q A -0.1430
282 P A -0.5819
283 N A -1.7198
284 A A 0.0000
285 C A 0.0000
286 H A -1.5005
287 N A -1.6389
288 G A -0.9523
289 G A -0.2484
290 T A 0.0756
291 C A 0.2127
292 F A -0.2513
293 N A -1.0915
294 T A -0.1080
295 L A 1.0938
296 G A 0.0000
297 G A -0.5306
298 H A -0.6507
299 S A 0.2301
300 C A 0.8127
301 V A 0.0000
302 C A 0.4011
303 V A 0.0067
304 N A 0.1341
305 G A 0.0000
306 W A 0.0166
307 T A -0.4896
308 G A -1.4832
309 E A -2.2936
310 S A -1.4725
311 C A 0.0000
312 S A -0.8033
313 Q A -0.2076
314 N A 0.0000
315 I A 0.5156
316 D A 0.1001
317 D A 0.0000
318 C A 0.0000
319 A A 0.0723
320 T A 0.0000
321 A A 0.0000
322 V A 0.0000
323 C A 0.9615
324 F A 0.5612
325 H A -0.5736
326 G A -0.3330
327 A A 0.2418
328 T A 0.4054
329 C A 0.0000
330 H A -0.5672
331 D A 0.0000
332 R A -1.0128
333 V A 0.2710
334 A A 0.0000
335 S A -0.6382
336 F A 0.0000
337 Y A 0.6179
338 C A 0.0000
339 A A 0.2059
340 C A 0.2851
341 P A 0.1813
342 M A 0.4726
343 G A -0.6050
344 K A -0.9019
345 T A -0.5662
346 G A 0.0000
347 L A 0.7624
348 L A 0.8222
349 C A 0.3717
350 H A -0.2128
351 L A -0.4903
352 D A -1.4866
353 D A -1.2224
354 A A -0.3175
355 C A 0.4284
356 V A 1.4413
357 S A -0.0324
358 N A -0.1734
359 P A 0.3442
360 C A 0.0000
361 H A 0.0000
362 E A -1.7336
363 D A -1.5333
364 A A -0.2885
365 I A 1.3357
366 C A 0.7460
367 D A -0.6084
368 T A -0.9224
369 N A 0.0000
370 P A -0.1589
371 V A 0.6317
372 N A 0.0000
373 G A -0.1825
374 R A 0.0000
375 A A -0.6694
376 I A 0.0000
377 C A 0.0000
378 T A 0.0195
379 C A 0.0000
380 P A -0.5029
381 P A -0.9070
382 G A -1.2548
383 F A -1.3347
384 T A 0.0000
385 G A -0.8028
386 G A -0.6621
387 A A 0.0000
388 C A 0.0000
389 D A 0.0000
390 Q A 0.0000
391 D A -1.0890
392 V A -1.0508
393 D A -1.8371
394 E A -1.1877
395 C A -0.2408
396 S A 0.1755
397 I A 1.3065
398 G A 0.2949
399 A A 0.3734
400 N A 0.2092
401 P A 0.0235
402 C A -0.0866
403 E A -0.4971
404 H A -0.3368
405 L A 0.2629
406 G A -0.9573
407 R A -1.3929
408 C A 0.2516
409 V A 0.5570
410 N A 0.0000
411 T A 0.0026
412 Q A -0.9256
413 G A -1.1567
414 S A -0.1383
415 F A 0.7282
416 L A 1.1917
417 C A 0.0000
418 Q A -0.7722
419 C A -0.7958
420 G A -1.0521
421 R A -1.2590
422 G A -0.9795
423 Y A -0.6834
424 T A -0.7358
425 G A -0.4443
426 P A -0.8641
427 R A -2.0551
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.7076
432 V A 0.0000
433 N A -0.8734
434 E A -0.3788
435 C A 0.7509
436 L A 1.5178
437 S A 0.2706
438 G A 0.1032
439 P A 0.1740
440 C A 0.0000
441 R A 0.4542
442 N A 0.0000
443 Q A -0.2383
444 A A 0.0658
445 T A 0.0000
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A 0.1985
450 I A 0.8795
451 G A -0.5117
452 Q A -1.0819
453 F A -0.0853
454 T A -0.3416
455 C A 0.0000
456 I A 0.1368
457 C A 0.0000
458 M A 0.4774
459 A A 0.2704
460 G A 0.0000
461 F A 0.0000
462 T A 0.0283
463 G A -0.1798
464 T A -0.1864
465 Y A -0.0578
466 W A 0.0000
467 E A -0.4856
468 V A 0.1906
469 D A -0.5153
470 I A -0.9336
471 D A -1.9837
472 E A -1.5768
473 C A -0.8691
474 Q A -1.6984
475 S A -1.0441
476 S A 0.0000
477 P A 0.0057
478 C A 0.8408
479 V A 1.6055
480 N A 0.4584
481 G A -0.2133
482 G A -0.1616
483 V A 0.5428
484 C A 0.7721
485 K A 0.0000
486 D A 0.0000
487 R A -0.9778
488 V A -0.4670
489 N A -1.1617
490 G A -0.8142
491 F A 0.0000
492 S A 0.0000
493 C A 0.0000
494 T A 0.0000
495 C A 0.0910
496 P A 0.0074
497 S A -0.2142
498 G A 0.0142
499 F A 1.0460
500 S A 0.8289
501 G A 0.2088
502 S A -0.0785
503 T A 0.2339
504 C A 0.8201
505 Q A 0.9453
506 L A 1.6692
507 D A 0.6490
508 V A 0.7249
509 D A -1.7200
510 E A -2.3467
511 C A -1.0057
512 A A -1.1310
513 S A -0.7570
514 T A -0.7019
515 P A -1.2690
516 C A -1.5696
517 R A -2.4772
518 N A -2.4112
519 G A -2.1480
520 A A -1.8546
521 K A -2.3913
522 C A -1.1056
523 V A -0.3531
524 D A -1.6561
525 Q A -2.0454
526 P A -1.2655
527 D A -1.5705
528 G A -1.2758
529 Y A -0.8844
530 E A -1.8990
531 C A -1.2365
532 R A -2.2699
533 C A -1.3636
534 A A -0.9550
535 E A -2.1118
536 G A -1.6663
537 F A -1.3781
538 E A -1.4322
539 G A -1.5554
540 T A -0.6140
541 L A -0.6403
542 C A -1.4057
543 D A -1.5765
544 R A -1.6379
545 N A -1.8057
546 V A -1.7369
547 D A -2.2830
548 D A -2.0025
549 C A 0.0000
550 S A -1.1980
551 P A -1.0893
552 D A -1.9570
553 P A -1.3526
554 C A -0.7623
555 H A -1.3496
556 H A -1.4174
557 G A -1.3074
558 R A -1.6342
559 C A -0.1319
560 V A 0.6822
561 D A -0.7679
562 G A 0.2347
563 I A 1.1141
564 A A -0.0651
565 S A -0.7683
566 F A 0.0000
567 S A -0.8310
568 C A 0.0000
569 A A -0.8841
570 C A -1.2134
571 A A -0.7582
572 P A -0.3713
573 G A -0.5832
574 Y A 0.0000
575 T A -1.2031
576 G A -1.1359
577 T A -1.6844
578 R A -2.1859
579 C A -1.3839
580 E A -2.3454
581 S A -1.6798
582 Q A -1.9062
583 V A -1.0806
584 D A -2.3921
585 E A -2.5684
586 C A -1.5473
587 R A -3.1954
588 S A -2.1013
589 Q A -2.6022
590 P A -1.5741
591 C A -1.4845
592 R A -1.6367
593 H A -1.9960
594 G A -1.7234
595 G A -1.9581
596 K A -1.8093
597 C A -0.4086
598 L A 1.2649
599 D A 0.2886
600 L A 1.6903
601 V A 0.5053
602 D A -1.3079
603 K A -1.5865
604 Y A 0.0000
605 L A 0.4605
606 C A 0.0000
607 R A -2.3163
608 C A 0.0000
609 P A -1.6720
610 S A -1.0188
611 G A -0.6129
612 T A 0.0000
613 T A -1.1335
614 G A -1.0975
615 V A 0.0000
616 N A -1.2962
617 C A -0.4928
618 E A -0.7709
619 V A 0.9295
620 N A 0.0000
621 I A 0.9454
622 D A -1.0738
623 D A -1.6497
624 C A -0.8366
625 A A -0.4811
626 S A -0.4032
627 N A -0.4941
628 P A -0.0364
629 C A 0.5006
630 T A 0.2146
631 F A 0.6721
632 G A 0.4385
633 V A 1.2380
634 C A -0.0367
635 R A -1.8120
636 D A -1.8539
637 G A -1.6103
638 I A -1.5569
639 N A -2.2774
640 R A -2.7775
641 Y A -1.6707
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2254 H A -1.0167
2255 W A -0.1854
2256 A A 0.0707
2257 S A -0.0806
2258 P A -0.3459
2259 S A -0.2780
2260 P A -0.4790
2261 P A -0.7560
2262 S A -1.0135
2263 L A -0.8995
2264 S A -1.3100
2265 D A -2.3856
2266 W A 0.0000
2267 S A -1.6221
2268 E A -1.3572
2269 S A -1.0753
2270 T A -0.7524
2271 P A -0.5369
2272 S A -0.3321
2273 P A 0.0000
2274 A A -0.3149
2275 T A -0.2427
2276 A A -0.2064
2277 T A -0.0998
2278 G A -0.0147
2279 A A 0.3903
2280 M A 0.9287
2281 A A 0.4337
2282 T A -0.1308
2283 T A 0.0000
2284 T A -0.1558
2285 G A -0.0776
2286 A A 0.0173
2287 L A -0.1284
2288 P A -0.2168
2289 A A -0.1399
2290 Q A -0.3467
2291 P A 0.1903
2292 L A 0.9546
2293 P A 0.5555
2294 L A 0.5091
2295 S A -0.0796
2296 V A 0.0000
2297 P A -0.3754
2298 S A -1.0428
2299 S A -1.5944
2300 L A 0.0000
2301 A A -0.3348
2302 Q A -1.2895
2303 A A -1.1457
2304 Q A -1.6203
2305 T A 0.0000
2306 Q A -0.8454
2307 L A -0.0409
2308 G A -0.4744
2309 P A -0.6550
2310 Q A -0.2043
2311 P A 0.1830
2312 E A 0.0000
2313 V A 1.5871
2314 T A -0.0916
2315 P A -1.5383
2316 K A -2.8018
2317 R A -3.0572
2318 Q A -1.5457
2319 V A 0.8812
2320 L A 1.2121
2321 A A 0.9330
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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, -0.6064 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 -0.6064 View CSV PDB
model_11 -0.6077 View CSV PDB
model_4 -0.6078 View CSV PDB
model_5 -0.6092 View CSV PDB
model_6 -0.6106 View CSV PDB
model_3 -0.6108 View CSV PDB
model_8 -0.6124 View CSV PDB
model_7 -0.6195 View CSV PDB
CABS_average -0.6234 View CSV PDB
model_1 -0.6257 View CSV PDB
model_10 -0.6423 View CSV PDB
model_0 -0.6513 View CSV PDB
model_9 -0.6775 View CSV PDB
input -0.7546 View CSV PDB