Project name: R544C_4D

Status: done

Started: 2026-05-09 14:23:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDCNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:26:52)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:25:57)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:26:43)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:27:30)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:28:15)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (13:29:00)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (13:29:45)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (13:30:31)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (13:31:16)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (13:32:01)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (13:32:46)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (13:33:32)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (13:34:17)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (13:35:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:36:30)
[INFO]       Main:     Simulation completed successfully.                                          (13:37:14)
Show buried residues

Minimal score value
-4.0105
Maximal score value
3.6151
Average score
-0.5631
Total score value
-1306.8503

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 1.1119
2 G A -0.0723
3 P A -0.9636
4 G A -0.8497
5 A A -1.3480
6 R A -2.5460
7 G A -2.3300
8 R A -3.0698
9 R A -3.1821
10 R A 0.0000
11 R A -2.6577
12 R A -1.6707
13 R A 0.0000
14 P A -0.2010
15 M A 0.0000
16 S A 0.2590
17 P A 0.4634
18 P A 0.0000
19 P A 0.0000
20 P A -0.1343
21 P A -0.0760
22 P A -0.2878
23 P A -0.3239
24 V A -0.1093
25 R A -1.2215
26 A A -0.3065
27 L A 0.1043
28 P A 0.0588
29 L A 0.0000
30 L A 1.2820
31 L A 1.9625
32 L A 2.1996
33 L A 0.0000
34 A A 0.4132
35 G A -0.0172
36 P A -0.4757
37 G A -0.5315
38 A A -0.4702
39 A A 0.0000
40 A A -0.3427
41 P A -0.3144
42 P A 0.0000
43 C A -0.6072
44 L A -0.1917
45 D A -1.6602
46 G A -1.3294
47 S A -1.0247
48 P A -0.9809
49 C A -0.7110
50 A A -1.0824
51 N A -1.7948
52 G A -1.9482
53 G A -1.8353
54 R A -1.6499
55 C A 0.0000
56 T A 0.0000
57 Q A -0.9913
58 L A 0.0000
59 P A -0.6165
60 S A -0.8007
61 R A -1.7021
62 E A -2.6272
63 A A -1.9132
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -1.4935
69 P A -1.0239
70 G A -1.5626
71 W A -1.6862
72 V A 0.0000
73 G A -2.0646
74 E A -2.7050
75 R A -1.9939
76 C A 0.0000
77 Q A -1.0208
78 L A -1.1694
79 E A -2.2881
80 D A -2.6384
81 P A -1.6256
82 C A -1.0809
83 H A -1.2500
84 S A -1.0479
85 G A -0.5003
86 P A -0.4641
87 C A -0.6322
88 A A -1.0903
89 G A -1.4059
90 R A -2.1792
91 G A -1.6335
92 V A -0.8139
93 C A -0.8262
94 Q A -1.2347
95 S A -1.4229
96 S A -1.4606
97 V A 0.0000
98 V A -0.1622
99 A A -0.0664
100 G A -0.1856
101 T A -0.4658
102 A A -1.0448
103 R A -1.4361
104 F A -0.7746
105 S A 0.0000
106 C A 0.0000
107 R A -2.1976
108 C A -1.6100
109 P A -1.5349
110 R A -1.9143
111 G A -0.7158
112 F A -0.3277
113 R A 0.0000
114 G A -1.4625
115 P A -1.6674
116 D A -2.0927
117 C A -1.1381
118 S A -0.8016
119 L A 0.2610
120 P A -0.2190
121 D A 0.0000
122 P A 0.0875
123 C A 0.1367
124 L A 0.5584
125 S A 0.4131
126 S A -0.0971
127 P A -0.4096
128 C A -0.3333
129 A A -0.3684
130 H A -1.2821
131 G A -1.2038
132 A A -1.1780
133 R A -1.4138
134 C A -0.1291
135 S A 0.1142
136 V A -0.0013
137 G A 0.0000
138 P A -1.4264
139 D A -1.9197
140 G A -1.2202
141 R A -1.1090
142 F A 0.6068
143 L A 1.6167
144 C A 0.5999
145 S A -0.4752
146 C A -0.9257
147 P A -0.7621
148 P A -0.1778
149 G A -0.2680
150 Y A -0.2115
151 Q A -1.4674
152 G A -1.5747
153 R A -2.4739
154 S A -1.6310
155 C A -1.1100
156 R A -2.1734
157 S A -1.2840
158 D A 0.0000
159 V A -0.8384
160 D A -1.8052
161 E A -1.9753
162 C A -1.3078
163 R A -1.0438
164 V A 0.4373
165 G A -0.7497
166 E A -2.3166
167 P A -2.0054
168 C A -2.3714
169 R A -2.8511
170 H A -2.3094
171 G A -1.5365
172 G A -1.1345
173 T A -1.1918
174 C A -0.5604
175 L A 0.4596
176 N A -0.6819
177 T A -0.5683
178 P A -0.3261
179 G A -0.7527
180 S A -1.0600
181 F A 0.0000
182 R A -2.0983
183 C A 0.0000
184 Q A -1.5980
185 C A 0.0000
186 P A -0.5080
187 A A -0.4874
188 G A -0.2066
189 Y A 0.5994
190 T A 0.0000
191 G A -0.7563
192 P A -1.2968
193 L A -1.2238
194 C A -1.5057
195 E A -2.6069
196 N A -1.9760
197 P A -0.5910
198 A A -0.3735
199 V A 0.1592
200 P A -1.2919
201 C A 0.0000
202 A A -0.2554
203 P A -0.4273
204 S A -0.4141
205 P A -0.6917
206 C A -1.4420
207 R A -2.7083
208 N A -2.8072
209 G A -1.8390
210 G A -1.7093
211 T A -2.0335
212 C A -2.4508
213 R A -2.8101
214 Q A -2.0192
215 S A -1.7731
216 G A -1.5680
217 D A -1.8002
218 L A -0.6786
219 T A -1.0162
220 Y A -1.4463
221 D A -2.5082
222 C A -2.1910
223 A A -1.7461
224 C A -1.4734
225 L A 0.0000
226 P A -0.5080
227 G A -0.4023
228 F A 0.2609
229 E A -1.3253
230 G A -1.5313
231 Q A -1.7312
232 N A -1.9301
233 C A -1.2880
234 E A 0.0000
235 V A 0.1039
236 N A -0.2446
237 V A -0.0904
238 D A -1.2281
239 D A -1.5170
240 C A 0.0000
241 P A -0.9410
242 G A -1.0561
243 H A -1.1831
244 R A -1.7044
245 C A 0.0000
246 L A 0.4945
247 N A -0.5390
248 G A -0.4633
249 G A -0.1734
250 T A -0.1412
251 C A -0.1265
252 V A -0.0638
253 D A -0.7725
254 G A -0.4489
255 V A 0.1927
256 N A -0.8970
257 T A -0.4691
258 Y A 0.0910
259 N A -0.7033
260 C A -0.3615
261 Q A -0.5598
262 C A -0.4928
263 P A 0.0000
264 P A -0.8225
265 E A -0.6713
266 W A -0.9361
267 T A -0.7827
268 G A -0.9880
269 Q A -0.7142
270 F A 0.7255
271 C A 0.0000
272 T A -1.1092
273 E A -1.7287
274 D A -0.9304
275 V A 0.5046
276 D A -0.1443
277 E A -0.3460
278 C A -0.7023
279 Q A -0.8717
280 L A 0.2664
281 Q A -1.2430
282 P A -0.9096
283 N A -0.7508
284 A A -0.9712
285 C A 0.0000
286 H A -1.3333
287 N A -1.4542
288 G A 0.0000
289 G A -0.5231
290 T A 0.0000
291 C A 0.0925
292 F A 1.1895
293 N A 0.0038
294 T A 0.4735
295 L A 1.2224
296 G A -0.0840
297 G A 0.0058
298 H A -0.2630
299 S A -0.1838
300 C A 0.0000
301 V A 0.5294
302 C A 0.0000
303 V A 0.7857
304 N A -0.1368
305 G A -0.7012
306 W A -0.6870
307 T A 0.0000
308 G A -1.0352
309 E A -1.7774
310 S A -0.8215
311 C A -0.8168
312 S A -1.3421
313 Q A -1.9028
314 N A -1.5084
315 I A 0.0358
316 D A -1.1265
317 D A -1.4653
318 C A -0.3955
319 A A 0.1671
320 T A 0.4505
321 A A 1.1521
322 V A 1.6264
323 C A 1.5452
324 F A 1.7513
325 H A 0.0061
326 G A -0.3162
327 A A 0.2903
328 T A 0.0164
329 C A 0.1009
330 H A -1.1801
331 D A -1.4959
332 R A -0.9804
333 V A 0.0605
334 A A -0.2811
335 S A -0.4272
336 F A 0.0000
337 Y A 0.2471
338 C A 0.0000
339 A A 0.0914
340 C A 0.0000
341 P A -0.4922
342 M A -0.6004
343 G A -1.1866
344 K A -1.6032
345 T A 0.0000
346 G A 0.0000
347 L A 1.7564
348 L A 2.0997
349 C A 1.4636
350 H A 0.1514
351 L A 0.4762
352 D A -1.1743
353 D A -1.7040
354 A A -0.8324
355 C A 0.2277
356 V A 0.7663
357 S A -0.1992
358 N A -1.0695
359 P A -0.8371
360 C A -0.6772
361 H A -1.8168
362 E A -2.8392
363 D A -2.5323
364 A A -0.6681
365 I A 1.5979
366 C A 0.9867
367 D A -0.3346
368 T A 0.0000
369 N A -0.7094
370 P A 0.0000
371 V A 1.0417
372 N A -0.8152
373 G A -0.9411
374 R A -1.4781
375 A A -0.6632
376 I A 0.4210
377 C A 0.9136
378 T A 0.6968
379 C A -0.1123
380 P A -0.2777
381 P A -0.5410
382 G A -1.0574
383 F A 0.0000
384 T A -0.7159
385 G A -1.0040
386 G A -1.0207
387 A A -0.5154
388 C A -0.7379
389 D A -1.3752
390 Q A -1.7586
391 D A 0.0000
392 V A -0.3135
393 D A -1.2661
394 E A -1.7247
395 C A -0.5438
396 S A -0.0587
397 I A 1.2074
398 G A 0.1169
399 A A -0.3053
400 N A 0.0000
401 P A -0.4975
402 C A -0.7217
403 E A -2.3132
404 H A -1.5394
405 L A -0.7504
406 G A -1.3776
407 R A -2.0322
408 C A -0.9694
409 V A -0.2511
410 N A -1.0005
411 T A -0.8534
412 Q A -1.9908
413 G A -1.6419
414 S A -0.8246
415 F A 0.0000
416 L A -0.0422
417 C A 0.0000
418 Q A -1.3221
419 C A 0.0000
420 G A -1.2271
421 R A -0.9605
422 G A -0.2937
423 Y A 0.4953
424 T A 0.1284
425 G A -0.4559
426 P A -0.1972
427 R A -0.1231
428 C A 0.0000
429 E A 0.0000
430 T A -0.8767
431 D A -0.5912
432 V A -0.0013
433 N A -1.2623
434 E A -0.8698
435 C A 0.3141
436 L A 0.6528
437 S A 0.0902
438 G A -0.5242
439 P A -0.5733
440 C A -1.4300
441 R A -2.9830
442 N A -2.5813
443 Q A -1.8954
444 A A -0.8125
445 T A 0.3793
446 C A 0.9303
447 L A 0.3614
448 D A -1.8300
449 R A -2.1825
450 I A -0.2175
451 G A -1.3520
452 Q A 0.0000
453 F A 0.0000
454 T A -0.0456
455 C A 0.0000
456 I A 0.6677
457 C A 0.0000
458 M A -0.2880
459 A A -0.0309
460 G A 0.5136
461 F A 1.4360
462 T A 0.5624
463 G A 0.0106
464 T A -0.0580
465 Y A 0.0000
466 C A 0.0000
467 E A -0.1144
468 V A 0.0000
469 D A -0.0612
470 I A -0.9996
471 D A -1.2749
472 E A -1.5301
473 C A -0.5702
474 Q A -1.1104
475 S A -0.9242
476 S A -0.4051
477 P A -0.2597
478 C A 0.1290
479 V A 0.1797
480 N A -1.0573
481 G A -0.9362
482 G A -1.0442
483 V A -0.9124
484 C A -1.2573
485 K A -2.7152
486 D A -2.9366
487 R A -2.2676
488 V A -0.2448
489 N A -1.1250
490 G A -0.8379
491 F A -0.5175
492 S A -0.8020
493 C A 0.0000
494 T A -0.1423
495 C A -0.1354
496 P A -0.4215
497 S A -0.7437
498 G A 0.0290
499 F A 0.6274
500 S A -0.2133
501 G A -0.5900
502 S A -0.4466
503 T A -0.3545
504 C A 0.0000
505 Q A -0.8683
506 L A -0.2312
507 D A -1.1655
508 V A -0.7582
509 D A -2.5138
510 E A -2.8211
511 C A -0.7246
512 A A -0.8291
513 S A -0.4574
514 T A -0.5346
515 P A -0.5980
516 C A -0.6792
517 R A -2.6097
518 N A -2.8533
519 G A -2.1385
520 A A -2.3522
521 K A -2.3578
522 C A -1.0781
523 V A -0.4473
524 D A -1.7973
525 Q A -1.9808
526 P A -2.0838
527 D A -2.6511
528 G A -1.9754
529 Y A -1.3147
530 E A -0.9864
531 C A 0.0000
532 R A -2.2766
533 C A 0.0000
534 A A -1.9755
535 E A -2.2705
536 G A -1.1351
537 F A -0.5328
538 E A -1.5524
539 G A -1.0692
540 T A -0.8394
541 L A -0.2070
542 C A 0.0850
543 D A -0.5422
544 C A -0.3448
545 N A 0.0000
546 V A -0.2163
547 D A -2.0352
548 D A -1.3579
549 C A 0.0000
550 S A -1.4081
551 P A 0.0000
552 D A -2.5308
553 P A -1.7224
554 C A -1.8235
555 H A -1.8453
556 H A -2.1323
557 G A -1.6884
558 R A -1.8343
559 C A -0.9141
560 V A -0.1209
561 D A -0.7960
562 G A -0.2821
563 I A 0.3676
564 A A 0.2912
565 S A 0.0066
566 F A 0.3019
567 S A -0.0386
568 C A -0.7503
569 A A -0.5980
570 C A 0.0000
571 A A -0.5636
572 P A -0.3299
573 G A -0.4539
574 Y A 0.3949
575 T A -0.4662
576 G A -0.7054
577 T A -0.9807
578 R A -2.1263
579 C A 0.0000
580 E A -1.8983
581 S A -1.2049
582 Q A -1.4484
583 V A -1.5217
584 D A -3.1841
585 E A -3.4621
586 C A 0.0000
587 R A -3.3825
588 S A -2.5164
589 Q A -2.7169
590 P A -1.6183
591 C A -1.8322
592 R A -2.4905
593 H A -2.7237
594 G A -2.0133
595 G A -2.3904
596 K A -2.2271
597 C A -0.9542
598 L A 0.7990
599 D A -0.5930
600 L A -0.0051
601 V A 0.0240
602 D A -2.4981
603 K A -1.8687
604 Y A -0.8166
605 L A 0.9739
606 C A -0.7978
607 R A -2.3457
608 C A -2.2235
609 P A -1.6081
610 S A -1.0005
611 G A -0.6671
612 T A -0.5134
613 T A -0.6217
614 G A -0.2061
615 V A 0.9138
616 N A -1.4861
617 C A 0.0000
618 E A -2.0817
619 V A 0.0000
620 N A -0.6768
621 I A 0.2723
622 D A -1.2744
623 D A -1.2694
624 C A -0.1043
625 A A 0.1641
626 S A 0.0317
627 N A -0.1353
628 P A -0.1138
629 C A 0.8835
630 T A 1.2953
631 F A 2.4792
632 G A 1.8711
633 V A 1.8953
634 C A 0.5925
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1999 E A -2.2559
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2256 A A -0.2566
2257 S A 0.0000
2258 P A -0.4722
2259 S A -0.6449
2260 P A -0.4398
2261 P A -0.2645
2262 S A 0.3178
2263 L A 1.1836
2264 S A 0.0786
2265 D A -1.3601
2266 W A -0.1070
2267 S A -1.0790
2268 E A -1.9342
2269 S A -1.2485
2270 T A -0.8162
2271 P A -0.3070
2272 S A -0.6398
2273 P A 0.0000
2274 A A 0.0000
2275 T A -0.5820
2276 A A -0.1889
2277 T A -0.0229
2278 G A -0.4061
2279 A A 0.2983
2280 M A 0.0000
2281 A A 0.0000
2282 T A 0.0000
2283 T A -0.2940
2284 T A 0.1234
2285 G A -0.3732
2286 A A 0.1556
2287 L A 0.8320
2288 P A 0.0554
2289 A A -0.3690
2290 Q A -1.0800
2291 P A -0.5167
2292 L A 0.4005
2293 P A 0.4562
2294 L A 1.5421
2295 S A 0.9209
2296 V A 0.6958
2297 P A -0.0998
2298 S A -0.2528
2299 S A -0.9997
2300 L A 0.0000
2301 A A -2.5949
2302 Q A 0.0000
2303 A A 0.0000
2304 Q A -2.1228
2305 T A 0.0000
2306 Q A -0.2564
2307 L A 0.9316
2308 G A 0.0000
2309 P A 0.7335
2310 Q A 0.0000
2311 P A -0.7640
2312 E A -1.2698
2313 V A 0.3733
2314 T A -0.8938
2315 P A -1.2718
2316 K A -1.6861
2317 R A -2.0771
2318 Q A -1.4923
2319 V A -0.0281
2320 L A 1.0628
2321 A A 0.9442
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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, -0.5631 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_9 -0.5631 View CSV PDB
model_7 -0.5733 View CSV PDB
model_5 -0.591 View CSV PDB
model_6 -0.5931 View CSV PDB
model_0 -0.6018 View CSV PDB
CABS_average -0.6049 View CSV PDB
model_10 -0.6135 View CSV PDB
model_8 -0.6136 View CSV PDB
model_4 -0.6164 View CSV PDB
model_1 -0.6175 View CSV PDB
model_2 -0.6219 View CSV PDB
model_11 -0.6239 View CSV PDB
model_3 -0.63 View CSV PDB
input -0.7524 View CSV PDB