Project name: C542R_4D

Status: done

Started: 2026-05-07 02:40:48
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLRDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:31:31)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (19:04:20)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (19:05:53)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (19:07:20)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (19:08:46)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (19:10:24)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (19:11:56)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (19:13:29)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (19:15:07)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (19:16:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (19:18:14)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:19:40)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:21:07)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:22:35)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:25:20)
[INFO]       Main:     Simulation completed successfully.                                          (19:26:42)
Show buried residues

Minimal score value
-4.7032
Maximal score value
3.6998
Average score
-0.5355
Total score value
-1242.8392

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 -0.5629
2 G A -0.9310
3 P A 0.0000
4 G A -1.1924
5 A A -1.3223
6 R A -2.3049
7 G A -2.3429
8 R A -2.7451
9 R A -2.8856
10 R A -3.4824
11 R A -2.9321
12 R A -2.8141
13 R A -1.3793
14 P A -0.5011
15 M A 0.4887
16 S A -0.0701
17 P A -0.2843
18 P A -0.1232
19 P A 0.0281
20 P A -0.0732
21 P A 0.0147
22 P A 0.0317
23 P A 0.0000
24 V A 0.3677
25 R A 0.4170
26 A A 0.8108
27 L A 0.0000
28 P A 0.5632
29 L A 1.6210
30 L A 0.0000
31 L A 2.2554
32 L A 1.3104
33 L A 1.0189
34 A A 0.8383
35 G A 0.4224
36 P A 0.2612
37 G A 0.4441
38 A A -0.0588
39 A A -0.1110
40 A A -0.0467
41 P A 0.1744
42 P A 0.1350
43 C A 0.5370
44 L A 1.1778
45 D A 0.1948
46 G A -0.1339
47 S A -0.2175
48 P A -0.5585
49 C A -0.3842
50 A A -0.6479
51 N A -1.5557
52 G A -1.5058
53 G A -1.6165
54 R A -1.9060
55 C A -0.7073
56 T A 0.0000
57 Q A -1.9751
58 L A 0.0000
59 P A -0.9476
60 S A 0.0000
61 R A 0.0000
62 E A 0.0382
63 A A 0.0000
64 A A 0.0000
65 C A -0.1604
66 L A 0.0000
67 C A 0.0000
68 P A -0.6756
69 P A -0.4987
70 G A -0.3604
71 W A 0.4767
72 V A 0.3002
73 G A 0.0000
74 E A 0.0000
75 R A 0.0000
76 C A 0.0000
77 Q A 0.0000
78 L A -0.4799
79 E A -1.2466
80 D A -0.9868
81 P A -0.5925
82 C A 0.0000
83 H A -0.5866
84 S A -0.8403
85 G A -0.5463
86 P A -0.3306
87 C A -0.2631
88 A A -0.5872
89 G A -1.3831
90 R A -1.9566
91 G A -0.8663
92 V A 0.3654
93 C A -0.0988
94 Q A -0.1875
95 S A 0.0000
96 S A 0.0000
97 V A 0.0000
98 V A -0.0773
99 A A -0.2677
100 G A -0.4341
101 T A -0.5546
102 A A -0.5596
103 R A -0.6257
104 F A 0.0594
105 S A 0.0000
106 C A 0.0000
107 R A 0.0000
108 C A -0.0528
109 P A 0.0000
110 R A -0.8060
111 G A -0.3985
112 F A -0.4012
113 R A 0.0000
114 G A 0.0000
115 P A 0.0000
116 D A -0.6799
117 C A 0.1498
118 S A -0.4166
119 L A -0.8583
120 P A -0.1625
121 D A 0.0000
122 P A 0.2996
123 C A 1.1791
124 L A 0.8736
125 S A 0.1219
126 S A -0.1908
127 P A -0.3761
128 C A -0.5324
129 A A -0.6618
130 H A -1.3359
131 G A -1.1479
132 A A -1.2075
133 R A -1.7924
134 C A -0.2081
135 S A 0.0000
136 V A 0.0000
137 G A -1.2497
138 P A 0.0000
139 D A -2.8624
140 G A -1.4664
141 R A -0.9417
142 F A 1.3050
143 L A 0.6306
144 C A 0.2660
145 S A -0.5186
146 C A -0.2475
147 P A -0.2097
148 P A -0.0908
149 G A -0.1178
150 Y A 0.0709
151 Q A -0.9733
152 G A -1.5954
153 R A -2.4677
154 S A -1.4056
155 C A -0.9536
156 R A -2.0613
157 S A -1.3013
158 D A 0.0000
159 V A -0.6323
160 D A -0.8645
161 E A -0.6223
162 C A 0.0000
163 R A -1.2661
164 V A 0.2412
165 G A -0.7604
166 E A -2.1306
167 P A -1.7840
168 C A -2.2863
169 R A -2.7575
170 H A -2.3850
171 G A -1.5780
172 G A -1.5163
173 T A -1.1742
174 C A -0.8019
175 L A 0.0519
176 N A 0.0000
177 T A -0.3055
178 P A -0.4387
179 G A -0.5120
180 S A -0.0162
181 F A 0.7069
182 R A -0.2281
183 C A 0.0000
184 Q A -1.1290
185 C A -0.6159
186 P A -0.2000
187 A A 0.2884
188 G A 0.0000
189 Y A 0.5067
190 T A -0.3611
191 G A -0.3434
192 P A -0.2468
193 L A -0.3841
194 C A -1.0226
195 E A -2.0161
196 N A -0.9569
197 P A -0.0746
198 A A 0.2408
199 V A 0.9912
200 P A 0.2815
201 C A 0.0000
202 A A -0.4902
203 P A -0.5642
204 S A -0.5911
205 P A -1.0573
206 C A -0.8959
207 R A -1.8448
208 N A 0.0000
209 G A -1.1720
210 G A -0.6794
211 T A -0.9102
212 C A -1.7902
213 R A -3.0949
214 Q A -2.7368
215 S A -2.0402
216 G A -1.7733
217 D A -2.0428
218 L A -0.1198
219 T A -0.7624
220 Y A -1.8476
221 D A -2.9616
222 C A -1.7535
223 A A -0.9684
224 C A 0.0000
225 L A 0.4732
226 P A -0.3478
227 G A -0.3698
228 F A -0.4906
229 E A -1.7051
230 G A -2.0065
231 Q A -2.3522
232 N A -1.8423
233 C A -1.3667
234 E A -1.7073
235 V A -0.7904
236 N A -0.4842
237 V A 0.6460
238 D A -0.5242
239 D A -1.3384
240 C A -0.7312
241 P A -1.1787
242 G A -1.5919
243 H A -1.8426
244 R A -2.2641
245 C A -1.2745
246 L A -0.9910
247 N A -1.5126
248 G A -1.3958
249 G A -0.9830
250 T A -0.4717
251 C A -0.0804
252 V A 0.1169
253 D A -0.8140
254 G A -0.7536
255 V A -0.5366
256 N A -1.5869
257 T A -0.6873
258 Y A -0.4189
259 N A -0.6798
260 C A 0.0000
261 Q A -1.4709
262 C A 0.0000
263 P A -1.7387
264 P A -1.5478
265 E A -2.2265
266 W A 0.0000
267 T A -1.3745
268 G A -1.1925
269 Q A -0.5856
270 F A 0.5540
271 C A -0.4610
272 T A -0.8495
273 E A -1.1542
274 D A -0.9380
275 V A 0.4181
276 D A 0.0000
277 E A -1.2885
278 C A 0.0000
279 Q A -0.8435
280 L A 0.2126
281 Q A -0.9161
282 P A -0.5448
283 N A -0.3448
284 A A -0.5553
285 C A -0.5907
286 H A -0.7484
287 N A -1.5634
288 G A -0.9180
289 G A 0.0365
290 T A 0.8406
291 C A 0.6339
292 F A 1.6128
293 N A -0.0927
294 T A 0.6006
295 L A 1.2304
296 G A 0.0000
297 G A -0.3699
298 H A -0.2815
299 S A 0.4596
300 C A 0.8735
301 V A 2.2937
302 C A 1.2534
303 V A 1.5062
304 N A -0.4584
305 G A -0.2208
306 W A 0.5680
307 T A -0.5226
308 G A -0.7469
309 E A -2.0041
310 S A -0.9892
311 C A -0.3369
312 S A -0.7868
313 Q A -0.9187
314 N A -1.0455
315 I A -0.9473
316 D A -2.2019
317 D A -1.1854
318 C A 0.0000
319 A A -0.4985
320 T A 0.4826
321 A A 0.8432
322 V A 1.6095
323 C A 1.5616
324 F A 1.4779
325 H A -0.2685
326 G A -0.2495
327 A A -0.1274
328 T A 0.0000
329 C A 0.3438
330 H A -0.2583
331 D A -1.0375
332 R A -0.5147
333 V A 0.4845
334 A A 0.4353
335 S A 0.3225
336 F A 0.6126
337 Y A 1.5373
338 C A 0.0000
339 A A 0.0000
340 C A 0.2284
341 P A -0.8788
342 M A -1.1441
343 G A -1.9898
344 K A -2.2386
345 T A 0.0000
346 G A 0.6943
347 L A 2.1645
348 L A 2.6741
349 C A 0.0000
350 H A 0.0000
351 L A 0.5290
352 D A -1.8878
353 D A -1.1671
354 A A -0.2509
355 C A 0.0000
356 V A 0.0000
357 S A -0.0974
358 N A -0.8430
359 P A -0.2670
360 C A 0.0000
361 H A 0.0000
362 E A -2.4311
363 D A -2.3621
364 A A 0.0000
365 I A 0.5431
366 C A 0.0000
367 D A 0.2048
368 T A 0.0000
369 N A 0.0000
370 P A -0.3318
371 V A 0.9642
372 N A -0.8561
373 G A -1.4708
374 R A -1.9954
375 A A -0.7003
376 I A 0.8335
377 C A 0.0000
378 T A 0.2047
379 C A -0.4698
380 P A 0.0000
381 P A -0.2920
382 G A 0.0000
383 F A 0.0000
384 T A 0.0000
385 G A -0.7500
386 G A -0.7282
387 A A -0.4307
388 C A 0.0000
389 D A -2.3754
390 Q A -1.8035
391 D A -1.7010
392 V A 0.0000
393 D A -1.0276
394 E A 0.0000
395 C A 0.0000
396 S A -0.3697
397 I A -0.0383
398 G A 0.0000
399 A A -0.1872
400 N A -0.8812
401 P A -0.7569
402 C A 0.0000
403 E A -1.5719
404 H A -1.4250
405 L A 0.0000
406 G A -1.5776
407 R A -1.9044
408 C A -0.3249
409 V A -0.2635
410 N A -0.4730
411 T A 0.0000
412 Q A 0.0000
413 G A 0.0000
414 S A 0.7496
415 F A 0.0000
416 L A 1.1588
417 C A 0.0000
418 Q A -0.4965
419 C A 0.0000
420 G A -0.8356
421 R A -0.8977
422 G A -0.3091
423 Y A 0.0000
424 T A -0.6445
425 G A -0.9134
426 P A -0.6033
427 R A 0.0000
428 C A 0.0000
429 E A -1.4655
430 T A -0.3862
431 D A 0.0000
432 V A 0.5490
433 N A -0.0567
434 E A -0.3491
435 C A 0.0000
436 L A 0.2584
437 S A -0.4810
438 G A -0.7996
439 P A -0.8055
440 C A -0.6436
441 R A -1.4954
442 N A -0.8255
443 Q A 0.0074
444 A A 0.0000
445 T A 0.9434
446 C A 0.0000
447 L A 1.4822
448 D A 0.3741
449 R A 0.6035
450 I A 1.7823
451 G A 0.0000
452 Q A -0.1045
453 F A 0.0000
454 T A 0.5849
455 C A 0.0000
456 I A 1.6229
457 C A 0.9990
458 M A 1.3867
459 A A 0.0000
460 G A 0.0000
461 F A 0.0000
462 T A 0.0000
463 G A -0.6523
464 T A -0.4315
465 Y A 0.0000
466 C A 0.0000
467 E A -1.0091
468 V A -0.0910
469 D A -0.2819
470 I A -0.5807
471 D A -2.0747
472 E A 0.0000
473 C A 0.0000
474 Q A -2.0109
475 S A -1.4656
476 S A 0.0000
477 P A -0.3368
478 C A -0.0206
479 V A -0.0597
480 N A -1.0813
481 G A -0.5832
482 G A 0.0698
483 V A 0.8140
484 C A -0.0026
485 K A -1.6595
486 D A -2.2367
487 R A -1.8574
488 V A -0.6343
489 N A -0.4103
490 G A -0.6936
491 F A 0.0000
492 S A 0.0000
493 C A 0.0000
494 T A -0.2688
495 C A 0.0000
496 P A -0.5360
497 S A -1.2924
498 G A -1.2377
499 F A -0.7215
500 S A 0.0000
501 G A 0.0000
502 S A 0.0000
503 T A 0.0000
504 C A 0.0000
505 Q A -1.2034
506 L A -0.5456
507 D A -1.7608
508 V A -1.1218
509 D A -2.2968
510 E A -2.3370
511 C A -0.6448
512 A A -0.3639
513 S A -0.4846
514 T A -0.5006
515 P A -0.6810
516 C A -1.6194
517 R A -3.0040
518 N A -3.2852
519 G A -2.3486
520 A A -1.9060
521 K A -1.8332
522 C A -0.8092
523 V A -0.6642
524 D A -2.0953
525 Q A -2.3559
526 P A -2.1773
527 D A -2.9847
528 G A -2.1912
529 Y A -1.9345
530 E A -1.9812
531 C A -1.1138
532 R A -2.0799
533 C A -2.2342
534 A A -2.1074
535 E A -2.6389
536 G A -1.2624
537 F A 0.2147
538 E A -0.4413
539 G A -1.2077
540 T A -1.0829
541 L A -0.4588
542 R A -2.1844
543 D A -2.0742
544 R A 0.0000
545 N A -1.1837
546 V A -1.5378
547 D A -2.8524
548 D A -2.5615
549 C A -1.7363
550 S A -1.7806
551 P A -1.3034
552 D A -2.1096
553 P A -1.5462
554 C A -1.6602
555 H A -1.9471
556 H A -1.7969
557 G A -1.6450
558 R A -1.9211
559 C A 0.0000
560 V A -0.5432
561 D A -0.6350
562 G A 0.4023
563 I A 1.3237
564 A A 0.0462
565 S A 0.0000
566 F A 0.0000
567 S A -0.6424
568 C A 0.0000
569 A A -0.5186
570 C A -0.8709
571 A A -0.4106
572 P A -0.5267
573 G A -0.6034
574 Y A -0.2637
575 T A 0.0000
576 G A -1.0515
577 T A 0.0000
578 R A -2.4361
579 C A -1.0822
580 E A -2.2163
581 S A -1.4041
582 Q A -1.3957
583 V A -0.5268
584 D A -1.6930
585 E A -1.8184
586 C A -0.7602
587 R A -1.6324
588 S A -0.8737
589 Q A -0.8293
590 P A -1.5025
591 C A -1.7869
592 R A -3.0009
593 H A -2.7389
594 G A -2.0888
595 G A -2.0343
596 K A -1.7862
597 C A -0.6929
598 L A 0.1785
599 D A 0.2584
600 L A 1.8505
601 V A 1.5732
602 D A -0.1336
603 K A -0.6238
604 Y A 0.1006
605 L A 0.3498
606 C A -0.5544
607 R A -1.8252
608 C A 0.0000
609 P A -1.4368
610 S A -0.8067
611 G A -0.5959
612 T A 0.0076
613 T A -0.2120
614 G A 0.0914
615 V A 0.8014
616 N A -0.4392
617 C A -0.5663
618 E A -0.8236
619 V A 0.4864
620 N A -0.6170
621 I A 0.3956
622 D A -1.8765
623 D A -1.8945
624 C A -0.8690
625 A A -0.8372
626 S A -0.7477
627 N A -1.4654
628 P A -0.2601
629 C A 0.7757
630 T A 1.2373
631 F A 2.4639
632 G A 1.2568
633 V A 0.8254
634 C A 0.0840
635 R A -1.5544
636 D A -2.7128
637 G A -2.0493
638 I A -0.3300
639 N A -1.9382
640 R A -3.0495
641 Y A -2.1657
642 D A -1.5471
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2269 S A -1.2708
2270 T A -0.7596
2271 P A -0.5530
2272 S A -0.7411
2273 P A -0.6463
2274 A A -0.4357
2275 T A -0.3701
2276 A A -0.2491
2277 T A -0.3012
2278 G A -0.5080
2279 A A 0.0675
2280 M A 0.7349
2281 A A 0.6807
2282 T A 0.4712
2283 T A 0.2287
2284 T A -0.0401
2285 G A 0.1085
2286 A A 0.0188
2287 L A 0.3826
2288 P A -0.0415
2289 A A 0.0173
2290 Q A -0.0509
2291 P A 0.1943
2292 L A 1.5339
2293 P A 0.0000
2294 L A 2.3565
2295 S A 1.8193
2296 V A 2.0858
2297 P A 0.6178
2298 S A 0.0000
2299 S A 0.0000
2300 L A 0.0000
2301 A A -0.8736
2302 Q A -1.7477
2303 A A -1.2213
2304 Q A -1.6870
2305 T A -1.2073
2306 Q A -0.9043
2307 L A 0.5107
2308 G A -0.3972
2309 P A 0.0109
2310 Q A -0.1907
2311 P A -0.8691
2312 E A -0.8371
2313 V A 0.3517
2314 T A -0.5843
2315 P A -1.3709
2316 K A -2.4467
2317 R A -2.6384
2318 Q A -0.9534
2319 V A 1.3523
2320 L A 1.3546
2321 A A 0.4167
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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, -0.5355 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_1 -0.5355 View CSV PDB
model_0 -0.5428 View CSV PDB
model_10 -0.5824 View CSV PDB
model_9 -0.5904 View CSV PDB
CABS_average -0.5939 View CSV PDB
model_5 -0.5971 View CSV PDB
model_7 -0.5974 View CSV PDB
model_6 -0.5985 View CSV PDB
model_8 -0.6017 View CSV PDB
model_3 -0.6041 View CSV PDB
model_4 -0.6088 View CSV PDB
model_2 -0.6255 View CSV PDB
model_11 -0.6427 View CSV PDB
input -0.7675 View CSV PDB