Project name: R182C_4D

Status: done

Started: 2026-05-08 01:43:18
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFCCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:25:57)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:24:14)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:24:58)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:25:42)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:26:26)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:27:10)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:27:54)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:28:38)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:29:21)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:30:05)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:30:49)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:31:33)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:32:17)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:33:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:34:26)
[INFO]       Main:     Simulation completed successfully.                                          (14:35:09)
Show buried residues

Minimal score value
-4.4423
Maximal score value
4.6551
Average score
-0.5438
Total score value
-1262.2498

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 -1.5993
2 G A -1.0325
3 P A -0.8377
4 G A -0.7759
5 A A -0.5221
6 R A 0.0000
7 G A -1.8554
8 R A -2.8868
9 R A -2.8976
10 R A -3.4130
11 R A -4.2395
12 R A -3.7639
13 R A -2.3503
14 P A -0.9433
15 M A 0.1857
16 S A -0.0264
17 P A -0.5593
18 P A -0.8041
19 P A 0.0000
20 P A -0.5367
21 P A -0.6178
22 P A 0.0000
23 P A -1.3356
24 V A -1.3416
25 R A -1.9968
26 A A -0.5066
27 L A 0.1894
28 P A 0.1029
29 L A 1.1157
30 L A 0.0000
31 L A 2.1137
32 L A 1.1896
33 L A 1.2668
34 A A 0.1974
35 G A -0.6493
36 P A -0.8074
37 G A -0.5915
38 A A -0.4513
39 A A -0.0703
40 A A 0.1093
41 P A -0.3635
42 P A -1.1760
43 C A 0.0000
44 L A -2.3125
45 D A -2.7336
46 G A -1.8341
47 S A -1.9020
48 P A -1.3807
49 C A 0.0000
50 A A -1.3867
51 N A -1.9638
52 G A -1.6246
53 G A -1.6016
54 R A -2.2011
55 C A -1.0464
56 T A -1.0730
57 Q A -1.5332
58 L A -0.2192
59 P A -0.7700
60 S A -1.5631
61 R A -3.0796
62 E A -2.8861
63 A A 0.0000
64 A A -0.8356
65 C A 0.0000
66 L A -0.1569
67 C A 0.0000
68 P A -0.6803
69 P A -1.0794
70 G A -1.1071
71 W A -1.1460
72 V A 0.0000
73 G A 0.0000
74 E A -1.6321
75 R A -2.4471
76 C A -1.7464
77 Q A -1.7154
78 L A -1.5173
79 E A -2.1909
80 D A 0.0000
81 P A 0.0000
82 C A 0.0000
83 H A -1.5977
84 S A -1.3334
85 G A -1.0031
86 P A -0.6858
87 C A 0.0000
88 A A -0.3554
89 G A -0.3466
90 R A -0.3633
91 G A -0.8175
92 V A 0.0000
93 C A -0.7449
94 Q A -1.1309
95 S A -0.4938
96 S A -0.2215
97 V A -0.4582
98 V A -0.8130
99 A A -1.4731
100 G A 0.0000
101 T A 0.0000
102 A A 0.0000
103 R A -0.3718
104 F A 0.0000
105 S A 0.0000
106 C A 0.0000
107 R A -1.7220
108 C A 0.0000
109 P A -1.4658
110 R A -2.3560
111 G A -1.0201
112 F A -0.7057
113 R A -1.3604
114 G A 0.0000
115 P A -0.7063
116 D A -1.1919
117 C A 0.0000
118 S A 0.0071
119 L A -0.4700
120 P A -0.6602
121 D A -1.4327
122 P A -0.9663
123 C A -0.6939
124 L A 0.0000
125 S A -0.8217
126 S A -0.3778
127 P A -0.3394
128 C A -0.0832
129 A A -0.0653
130 H A 0.0000
131 G A -1.1106
132 A A 0.0000
133 R A -2.5998
134 C A 0.0000
135 S A -0.4915
136 V A 0.0058
137 G A -0.3116
138 P A -0.7251
139 D A -1.3133
140 G A -1.5087
141 R A -1.6975
142 F A 0.0000
143 L A 1.0724
144 C A 0.0000
145 S A -0.3772
146 C A 0.0000
147 P A -0.7148
148 P A -0.7723
149 G A -0.9648
150 Y A -0.7777
151 Q A -0.7071
152 G A -1.0103
153 R A -0.9945
154 S A -0.4048
155 C A 0.1495
156 R A 0.0000
157 S A -0.8722
158 D A -1.1898
159 V A -0.9417
160 D A -2.2935
161 E A -1.5927
162 C A 0.0000
163 R A -2.1447
164 V A -1.1805
165 G A -1.3983
166 E A -2.1873
167 P A -1.9060
168 C A -1.7824
169 R A -3.0462
170 H A -2.4153
171 G A -1.6912
172 G A -1.2412
173 T A 0.0000
174 C A -0.5607
175 L A 0.8747
176 N A -0.3426
177 T A -0.1943
178 P A -0.6160
179 G A -0.7909
180 S A 0.2333
181 F A 0.9478
182 C A 0.9931
183 C A -0.1083
184 Q A -0.8878
185 C A -0.9463
186 P A -0.3442
187 A A 0.0239
188 G A 0.1492
189 Y A -0.4983
190 T A -1.3952
191 G A -1.2037
192 P A -0.2036
193 L A 1.1464
194 C A 0.5148
195 E A -1.5198
196 N A -0.7576
197 P A 0.0276
198 A A 0.7292
199 V A 1.0733
200 P A 0.1668
201 C A 0.0000
202 A A 0.3804
203 P A 0.1406
204 S A -0.0593
205 P A -0.8834
206 C A 0.0000
207 R A -1.6251
208 N A 0.0000
209 G A 0.0000
210 G A 0.0000
211 T A -0.6653
212 C A -1.3178
213 R A -2.5655
214 Q A -2.0289
215 S A -1.6153
216 G A -1.3818
217 D A -1.3057
218 L A 0.2692
219 T A -0.3010
220 Y A -0.4257
221 D A -1.2867
222 C A 0.0000
223 A A -1.0750
224 C A 0.0000
225 L A 0.4631
226 P A 0.0963
227 G A -0.0949
228 F A 0.0000
229 E A -1.6267
230 G A -1.7479
231 Q A -2.1684
232 N A -2.0102
233 C A 0.0000
234 E A -2.3793
235 V A -0.9140
236 N A -1.1342
237 V A 0.1947
238 D A 0.0000
239 D A -1.5040
240 C A -0.5779
241 P A -1.0278
242 G A -1.0446
243 H A -1.1844
244 R A -1.8599
245 C A -0.8165
246 L A -0.0861
247 N A -0.6269
248 G A -0.5989
249 G A -0.7953
250 T A -0.6803
251 C A -0.7814
252 V A -0.5367
253 D A -0.8772
254 G A -0.8053
255 V A -0.2638
256 N A 0.0000
257 T A 0.2345
258 Y A -0.6501
259 N A -1.1398
260 C A 0.0000
261 Q A -1.5469
262 C A 0.0000
263 P A -0.7206
264 P A -0.5548
265 E A -0.6815
266 W A 0.0000
267 T A 0.0000
268 G A 0.0000
269 Q A 0.0000
270 F A 1.7722
271 C A 0.4487
272 T A 0.0000
273 E A -1.6614
274 D A 0.0000
275 V A -0.5906
276 D A -0.3675
277 E A -0.6586
278 C A -0.1257
279 Q A -0.1772
280 L A -0.0797
281 Q A -0.4158
282 P A -0.7551
283 N A -0.5859
284 A A -0.5583
285 C A 0.0000
286 H A -0.5844
287 N A -0.5349
288 G A -0.2513
289 G A -0.2050
290 T A 0.0000
291 C A 0.0978
292 F A 0.0000
293 N A -0.5127
294 T A -0.5217
295 L A -0.4064
296 G A -0.5989
297 G A -0.8565
298 H A -0.6008
299 S A -0.1564
300 C A 0.2955
301 V A 0.2894
302 C A 0.3064
303 V A 0.0000
304 N A -0.4312
305 G A -0.3071
306 W A -0.2093
307 T A -0.9053
308 G A -0.9772
309 E A -1.6092
310 S A -1.2141
311 C A -0.2977
312 S A -1.1433
313 Q A -1.7795
314 N A -1.8415
315 I A -0.9889
316 D A -1.2855
317 D A 0.0000
318 C A -0.7050
319 A A 0.3865
320 T A 0.0514
321 A A 0.7252
322 V A 1.2851
323 C A 1.3960
324 F A 1.7871
325 H A 0.0239
326 G A -0.2768
327 A A 0.1993
328 T A 0.1048
329 C A 0.1677
330 H A -1.1229
331 D A -1.9937
332 R A -1.9377
333 V A -0.9180
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.1268
338 C A 0.0000
339 A A 0.1727
340 C A 0.0551
341 P A -0.2663
342 M A 0.1099
343 G A -0.4248
344 K A -0.8330
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.4257
350 H A -0.0086
351 L A 0.0619
352 D A -0.8307
353 D A -0.9508
354 A A -0.5940
355 C A 0.0000
356 V A -0.2922
357 S A -0.6632
358 N A -1.2164
359 P A -1.1226
360 C A -0.9694
361 H A -1.5121
362 E A -2.3262
363 D A -1.8788
364 A A -0.8702
365 I A 0.0000
366 C A 0.0000
367 D A 0.0000
368 T A 0.0000
369 N A 0.0000
370 P A -0.3624
371 V A 0.0000
372 N A -1.3052
373 G A -0.6374
374 R A 0.0000
375 A A -0.2417
376 I A 0.3366
377 C A -0.1030
378 T A 0.0000
379 C A 0.0000
380 P A -0.4390
381 P A -0.4517
382 G A -0.6227
383 F A -0.9983
384 T A 0.0000
385 G A -0.9013
386 G A -0.4439
387 A A -0.4175
388 C A -1.1638
389 D A -2.4194
390 Q A -2.2096
391 D A -1.8456
392 V A -1.3506
393 D A -1.6607
394 E A -1.1405
395 C A -0.4446
396 S A -0.3580
397 I A -0.1686
398 G A 0.0000
399 A A 0.0000
400 N A 0.0000
401 P A -0.4830
402 C A 0.0000
403 E A -1.1494
404 H A -0.9013
405 L A 0.1573
406 G A -0.0024
407 R A 0.5619
408 C A 0.0000
409 V A 0.0000
410 N A 0.0864
411 T A -0.4073
412 Q A -1.5121
413 G A -0.9431
414 S A -0.4969
415 F A 0.0000
416 L A 0.7733
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A 0.0000
421 R A -0.8279
422 G A 0.0000
423 Y A 0.0000
424 T A 0.0000
425 G A 0.0000
426 P A 0.0000
427 R A 0.0000
428 C A 0.0000
429 E A -1.1467
430 T A -0.6631
431 D A -1.0904
432 V A -0.4489
433 N A -0.6345
434 E A 0.0000
435 C A 0.0000
436 L A 0.0000
437 S A 0.0000
438 G A 0.0000
439 P A -0.8689
440 C A -1.1573
441 R A -1.8830
442 N A -2.1001
443 Q A -1.0211
444 A A 0.1024
445 T A 0.3708
446 C A 0.0000
447 L A 0.7285
448 D A 0.0000
449 R A -0.8744
450 I A 0.8085
451 G A -0.2794
452 Q A -0.8131
453 F A 0.0082
454 T A 0.5556
455 C A 0.0000
456 I A 1.9546
457 C A 0.0000
458 M A 1.4767
459 A A 0.9540
460 G A 0.3815
461 F A 2.1363
462 T A 0.6670
463 G A 0.7368
464 T A 0.1459
465 Y A 0.0000
466 C A 0.0000
467 E A -0.5894
468 V A 0.3279
469 D A -0.3094
470 I A -0.6483
471 D A -2.0569
472 E A -1.6696
473 C A -1.3556
474 Q A -2.1376
475 S A -1.3907
476 S A -0.4882
477 P A 0.1197
478 C A 0.6361
479 V A 1.0754
480 N A -0.0388
481 G A -0.5315
482 G A -0.2305
483 V A 0.0267
484 C A -0.3189
485 K A -2.1445
486 D A -2.3732
487 R A -2.0501
488 V A 0.0329
489 N A -0.7989
490 G A -0.4965
491 F A 0.3332
492 S A -0.0931
493 C A 0.6097
494 T A 0.4850
495 C A 0.6018
496 P A 0.3552
497 S A 0.4203
498 G A 0.2102
499 F A 1.6639
500 S A 0.3945
501 G A -0.0164
502 S A -0.4811
503 T A -0.0764
504 C A 0.4067
505 Q A -0.3137
506 L A 0.1034
507 D A -0.5900
508 V A -0.4447
509 D A -1.8263
510 E A -2.0499
511 C A -0.9716
512 A A -0.8036
513 S A -0.4182
514 T A -0.3458
515 P A -1.1831
516 C A -1.8947
517 R A -3.3355
518 N A -2.8857
519 G A -2.3350
520 A A -2.2055
521 K A -2.2685
522 C A -0.9876
523 V A -0.5676
524 D A -1.1652
525 Q A -1.6150
526 P A -1.2972
527 D A -2.1000
528 G A -1.7381
529 Y A -1.3274
530 E A -1.6900
531 C A -1.0155
532 R A -2.4628
533 C A -2.1418
534 A A -1.9672
535 E A -3.1261
536 G A -1.9967
537 F A -2.1023
538 E A -3.1622
539 G A -2.2600
540 T A -0.8797
541 L A 0.7798
542 C A -0.1879
543 D A -2.6582
544 R A -3.5514
545 N A -2.7002
546 V A -1.9542
547 D A -2.6329
548 D A -3.0094
549 C A -1.8879
550 S A -1.3933
551 P A -1.6319
552 D A -2.6402
553 P A -2.2982
554 C A -2.3289
555 H A -2.6949
556 H A -2.3065
557 G A -1.8452
558 R A -2.1242
559 C A -0.9181
560 V A 0.7899
561 D A -0.4295
562 G A 0.4315
563 I A 1.5003
564 A A 0.5365
565 S A 0.0847
566 F A -0.1440
567 S A -0.2367
568 C A -0.7850
569 A A -0.6026
570 C A 0.0000
571 A A -0.8433
572 P A -0.5557
573 G A -0.4262
574 Y A -0.8207
575 T A -0.7376
576 G A -0.6954
577 T A -0.4371
578 R A 0.0000
579 C A -1.9862
580 E A -2.8555
581 S A -1.7068
582 Q A -1.5069
583 V A -0.0815
584 D A -1.5041
585 E A -1.2923
586 C A 0.0000
587 R A -2.5255
588 S A -2.0629
589 Q A -2.3223
590 P A -1.9414
591 C A -2.0945
592 R A -3.1003
593 H A -2.4696
594 G A -1.7612
595 G A -1.6224
596 K A -1.3008
597 C A -0.3298
598 L A 1.3210
599 D A 0.0721
600 L A 1.3355
601 V A 1.1964
602 D A -1.1844
603 K A -0.5582
604 Y A 0.9041
605 L A 1.1135
606 C A -0.4808
607 R A -1.8945
608 C A -2.2040
609 P A -1.7437
610 S A -1.4928
611 G A -1.0400
612 T A -0.1770
613 T A 0.3596
614 G A -0.4700
615 V A -0.5304
616 N A -1.7384
617 C A -1.7105
618 E A -0.7846
619 V A 0.6684
620 N A 0.6629
621 I A 1.2119
622 D A -1.1195
623 D A -2.5357
624 C A 0.0000
625 A A -1.0258
626 S A -0.8440
627 N A -1.4560
628 P A -0.4772
629 C A 0.8787
630 T A 1.0680
631 F A 2.0254
632 G A 1.5981
633 V A 1.0453
634 C A -0.7838
635 R A -3.0387
636 D A -3.2324
637 G A -1.4719
638 I A 0.8900
639 N A -1.3020
640 R A -2.6693
641 Y A -1.8045
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2268 E A 0.0000
2269 S A 0.0000
2270 T A -0.2210
2271 P A 0.0000
2272 S A -0.2761
2273 P A -0.2622
2274 A A -0.2460
2275 T A -0.3770
2276 A A -0.1944
2277 T A -0.3904
2278 G A -0.3904
2279 A A 0.0473
2280 M A 0.6116
2281 A A 0.4690
2282 T A 0.2306
2283 T A 0.1853
2284 T A 0.0000
2285 G A -0.2603
2286 A A -0.1628
2287 L A 0.0160
2288 P A 0.0000
2289 A A -0.3621
2290 Q A -1.1148
2291 P A -0.5401
2292 L A -0.0549
2293 P A -0.1357
2294 L A 0.0000
2295 S A -0.2439
2296 V A 0.0000
2297 P A 0.0476
2298 S A 0.0463
2299 S A -0.0299
2300 L A 0.9267
2301 A A 0.2711
2302 Q A -0.6563
2303 A A -0.7672
2304 Q A -1.0658
2305 T A -1.0127
2306 Q A -1.2925
2307 L A 0.0000
2308 G A 0.0000
2309 P A -0.8804
2310 Q A -0.8598
2311 P A -0.3598
2312 E A -0.0171
2313 V A 1.4038
2314 T A 0.1247
2315 P A -0.4929
2316 K A -0.9226
2317 R A -1.1535
2318 Q A -1.4132
2319 V A 0.0000
2320 L A -0.2749
2321 A A -0.1868
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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, -0.5438 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 -0.5438 View CSV PDB
model_3 -0.5453 View CSV PDB
model_1 -0.5457 View CSV PDB
model_7 -0.5458 View CSV PDB
model_10 -0.5572 View CSV PDB
model_11 -0.5588 View CSV PDB
CABS_average -0.5633 View CSV PDB
model_5 -0.5673 View CSV PDB
model_4 -0.5676 View CSV PDB
model_9 -0.5757 View CSV PDB
model_2 -0.5813 View CSV PDB
model_0 -0.5857 View CSV PDB
model_8 -0.5859 View CSV PDB
input -0.763 View CSV PDB