Project name: R578C_4D

Status: done

Started: 2026-05-09 14:24:05
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTCCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:23:01)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:43:36)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:44:23)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:45:09)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:45:54)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:46:39)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:47:25)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:48:10)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:48:55)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:49:42)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:50:27)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:51:12)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:51:57)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:52:42)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:54:10)
[INFO]       Main:     Simulation completed successfully.                                          (12:54:56)
Show buried residues

Minimal score value
-4.2927
Maximal score value
4.3288
Average score
-0.5644
Total score value
-1309.9786

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 1.4414
2 G A 0.5290
3 P A 0.0000
4 G A -0.3585
5 A A -0.7897
6 R A -1.7642
7 G A -2.3699
8 R A -3.9662
9 R A -4.0741
10 R A -4.2927
11 R A -3.5426
12 R A -3.6511
13 R A -3.3104
14 P A -1.8206
15 M A -1.4442
16 S A -1.2918
17 P A -1.5361
18 P A -0.9912
19 P A -0.6302
20 P A -0.8049
21 P A 0.0000
22 P A -0.5405
23 P A -0.3998
24 V A -0.0721
25 R A -0.7243
26 A A -0.0212
27 L A 0.7909
28 P A 0.9704
29 L A 2.9270
30 L A 3.7087
31 L A 3.8324
32 L A 3.6656
33 L A 2.6555
34 A A 0.9781
35 G A -0.1352
36 P A -0.3471
37 G A -0.5185
38 A A -0.2120
39 A A -0.2317
40 A A -1.0750
41 P A 0.0000
42 P A -2.3427
43 C A 0.0000
44 L A -1.3960
45 D A -2.2968
46 G A -1.2705
47 S A -0.7480
48 P A -1.1667
49 C A -1.0603
50 A A -0.9090
51 N A -2.0861
52 G A -1.1658
53 G A -1.1502
54 R A -1.6638
55 C A -0.6073
56 T A -0.9936
57 Q A -1.4674
58 L A -0.8629
59 P A -0.9765
60 S A -1.2508
61 R A -2.2333
62 E A -2.6381
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.0566
67 C A -0.1042
68 P A -0.6473
69 P A -0.9543
70 G A -1.1563
71 W A -1.5914
72 V A -1.0416
73 G A -1.5800
74 E A -2.1932
75 R A -2.6903
76 C A 0.0000
77 Q A -2.0877
78 L A 0.0000
79 E A -2.8834
80 D A -2.5522
81 P A -1.2785
82 C A -0.5572
83 H A -0.6005
84 S A -0.1524
85 G A -0.2748
86 P A -0.7064
87 C A 0.0000
88 A A -0.8506
89 G A -1.4679
90 R A -2.1502
91 G A -1.5336
92 V A -0.9756
93 C A -0.9156
94 Q A -1.5451
95 S A -1.1468
96 S A -0.9477
97 V A -0.7466
98 V A -0.0188
99 A A -0.5538
100 G A -1.0848
101 T A -0.5962
102 A A -1.2922
103 R A -1.8127
104 F A -0.8397
105 S A -1.1876
106 C A 0.0000
107 R A -2.5676
108 C A 0.0000
109 P A -1.7210
110 R A -2.3204
111 G A -1.1086
112 F A -0.9205
113 R A -1.5665
114 G A -1.9489
115 P A -1.8980
116 D A -1.9344
117 C A -1.0324
118 S A -0.4323
119 L A 0.0604
120 P A -0.4997
121 D A -1.0014
122 P A -0.3670
123 C A 0.5200
124 L A 1.3389
125 S A 0.8419
126 S A 0.1295
127 P A -0.3978
128 C A 0.0000
129 A A -0.8099
130 H A -1.4122
131 G A -1.3092
132 A A -1.4288
133 R A -1.5102
134 C A -0.0292
135 S A 0.6740
136 V A 1.6409
137 G A 0.2972
138 P A -0.7956
139 D A -0.9335
140 G A -0.6682
141 R A -0.6168
142 F A 0.8576
143 L A 0.8927
144 C A 0.0000
145 S A -0.8875
146 C A -1.0057
147 P A -0.6025
148 P A -0.0424
149 G A 0.1118
150 Y A 0.0009
151 Q A -1.5069
152 G A -2.0320
153 R A -2.3330
154 S A -1.3313
155 C A -1.0739
156 R A -1.8171
157 S A -1.3258
158 D A -0.5806
159 V A -0.0313
160 D A -1.5243
161 E A -0.6306
162 C A -0.4351
163 R A -1.1209
164 V A -0.3271
165 G A -0.8896
166 E A -1.7475
167 P A -1.4228
168 C A 0.0000
169 R A -2.9392
170 H A -2.3881
171 G A -1.5221
172 G A -0.9057
173 T A -0.4628
174 C A 0.1329
175 L A 1.1561
176 N A -0.4712
177 T A -0.4687
178 P A -0.8596
179 G A -0.6979
180 S A 0.2033
181 F A 1.6318
182 R A 0.0000
183 C A -0.0688
184 Q A 0.3821
185 C A -0.0190
186 P A 0.2176
187 A A 0.4391
188 G A 0.5499
189 Y A 0.0494
190 T A 0.2124
191 G A 0.0000
192 P A 0.2953
193 L A -0.4077
194 C A 0.0000
195 E A -2.5615
196 N A -1.3529
197 P A -0.2715
198 A A 0.6025
199 V A 1.7033
200 P A 0.7453
201 C A 0.1996
202 A A -0.1789
203 P A -0.5969
204 S A -0.9778
205 P A -0.8959
206 C A -0.9259
207 R A -2.1950
208 N A -2.3949
209 G A -1.2534
210 G A -1.0357
211 T A -0.9125
212 C A -1.3120
213 R A -2.5507
214 Q A -2.2877
215 S A -1.5942
216 G A -1.5500
217 D A -1.4233
218 L A -0.1108
219 T A -0.3052
220 Y A -0.9825
221 D A -1.9945
222 C A 0.0000
223 A A -0.6580
224 C A 0.0000
225 L A 1.2145
226 P A 0.5294
227 G A 0.8170
228 F A 1.5951
229 E A -0.6295
230 G A -1.1382
231 Q A -2.0318
232 N A -2.0121
233 C A -1.0058
234 E A -0.2048
235 V A 0.9438
236 N A 0.5747
237 V A 0.6723
238 D A -0.3119
239 D A -0.9925
240 C A 0.0000
241 P A -0.8576
242 G A -1.1079
243 H A -1.2369
244 R A -1.5379
245 C A -0.8425
246 L A -0.1621
247 N A -1.1041
248 G A -1.1037
249 G A -0.7625
250 T A -0.8119
251 C A -0.5443
252 V A 0.0915
253 D A -1.1147
254 G A -0.9972
255 V A 0.0000
256 N A -2.2844
257 T A -1.2775
258 Y A -0.4069
259 N A -0.5076
260 C A 0.0000
261 Q A -1.0752
262 C A 0.0000
263 P A -0.8515
264 P A -0.9987
265 E A -1.5991
266 W A -1.1418
267 T A -0.9871
268 G A -0.4091
269 Q A -0.5248
270 F A 0.6552
271 C A -0.3225
272 T A -0.9088
273 E A -1.4729
274 D A -1.2809
275 V A 0.1307
276 D A -0.7444
277 E A -0.9130
278 C A -0.6744
279 Q A -1.3773
280 L A -0.9613
281 Q A -1.3424
282 P A -1.0529
283 N A -1.0941
284 A A -1.3547
285 C A -1.5545
286 H A -1.8424
287 N A -1.4759
288 G A -1.1871
289 G A -0.8330
290 T A 0.1431
291 C A 0.3549
292 F A 1.2366
293 N A 0.0609
294 T A 0.5026
295 L A 1.2302
296 G A 0.1670
297 G A -0.1385
298 H A -0.2721
299 S A -0.3426
300 C A 0.0000
301 V A -0.1934
302 C A -0.6899
303 V A -0.3657
304 N A 0.0000
305 G A -0.6936
306 W A -1.0915
307 T A -1.1498
308 G A -1.0277
309 E A -1.8112
310 S A -1.2370
311 C A 0.0000
312 S A -1.5031
313 Q A -2.0533
314 N A -1.9807
315 I A -1.1760
316 D A -2.0536
317 D A 0.0000
318 C A 0.0435
319 A A 0.4964
320 T A 0.5660
321 A A 1.1465
322 V A 2.2214
323 C A 1.6168
324 F A 1.8568
325 H A -0.2160
326 G A -0.0027
327 A A 0.4081
328 T A 0.2264
329 C A 0.0692
330 H A -1.0996
331 D A -1.2602
332 R A -1.3526
333 V A -0.5592
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.2144
338 C A 0.0000
339 A A 0.4779
340 C A 0.0000
341 P A -0.2462
342 M A -0.1069
343 G A -0.2900
344 K A 0.0000
345 T A 0.0000
346 G A 0.0834
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.0000
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 1.0579
356 V A 0.7685
357 S A 0.5282
358 N A -0.1336
359 P A -0.3337
360 C A -0.7213
361 H A -1.5973
362 E A -1.8046
363 D A -1.9225
364 A A -0.3389
365 I A 1.1806
366 C A 0.8131
367 D A 0.5299
368 T A 0.2697
369 N A 0.0000
370 P A 0.0000
371 V A -0.7917
372 N A -1.5884
373 G A 0.0000
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A 0.1824
379 C A -0.6374
380 P A -0.8116
381 P A 0.0000
382 G A -0.6744
383 F A -0.6078
384 T A 0.0000
385 G A 0.0000
386 G A 0.0000
387 A A -0.2677
388 C A -0.5831
389 D A -0.9892
390 Q A -1.0164
391 D A -1.1553
392 V A 0.3558
393 D A -0.9799
394 E A -1.6576
395 C A -0.3723
396 S A -0.3987
397 I A 0.1058
398 G A -0.1660
399 A A -0.2393
400 N A -0.6986
401 P A -0.7286
402 C A -0.4419
403 E A -1.4585
404 H A -0.9434
405 L A 0.1381
406 G A -0.8201
407 R A -1.5565
408 C A -0.3582
409 V A 0.1817
410 N A -1.1614
411 T A -0.7574
412 Q A -1.3071
413 G A -0.9309
414 S A 0.0000
415 F A -0.2987
416 L A 0.0000
417 C A -0.3478
418 Q A -0.7417
419 C A 0.0000
420 G A 0.0000
421 R A -2.0006
422 G A 0.0000
423 Y A -1.1613
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 -1.1825
430 T A -0.6925
431 D A -0.5703
432 V A 0.0000
433 N A 0.0000
434 E A 0.0000
435 C A -0.1680
436 L A 0.0000
437 S A -0.9970
438 G A 0.0000
439 P A 0.0000
440 C A -1.5379
441 R A -2.9994
442 N A -2.5322
443 Q A -1.9471
444 A A -1.0889
445 T A -0.3631
446 C A -0.1539
447 L A -0.1633
448 D A -1.1495
449 R A -1.0115
450 I A 0.6495
451 G A -0.7497
452 Q A -0.7858
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0090
457 C A 0.0000
458 M A 0.4055
459 A A -0.0493
460 G A 0.0000
461 F A 0.0000
462 T A 0.0000
463 G A -0.6300
464 T A -0.6297
465 Y A 0.0000
466 C A 0.0000
467 E A 0.0000
468 V A -0.1703
469 D A -0.3326
470 I A -0.6025
471 D A -1.0039
472 E A 0.0000
473 C A -1.0488
474 Q A -1.4035
475 S A -0.8701
476 S A -0.6118
477 P A -0.2677
478 C A 0.1725
479 V A 0.5835
480 N A -0.9824
481 G A -0.6480
482 G A -0.1440
483 V A 0.9096
484 C A -0.4459
485 K A -1.8382
486 D A -1.9886
487 R A -1.9494
488 V A -0.1631
489 N A -0.4519
490 G A -0.8444
491 F A -0.9255
492 S A -0.7789
493 C A -0.2161
494 T A 0.1800
495 C A 0.3623
496 P A 0.1786
497 S A 0.3051
498 G A 1.2042
499 F A 2.3372
500 S A 1.3261
501 G A -0.0538
502 S A -0.1438
503 T A 0.0922
504 C A 0.0000
505 Q A 0.3500
506 L A 1.6502
507 D A 0.0000
508 V A 1.2262
509 D A -0.9254
510 E A -1.9931
511 C A 0.0000
512 A A -1.1531
513 S A -0.9791
514 T A -0.6065
515 P A -0.3624
516 C A -1.4248
517 R A -2.9007
518 N A -2.4609
519 G A -1.9646
520 A A -2.3226
521 K A -2.6561
522 C A -1.7351
523 V A -1.2446
524 D A -1.8729
525 Q A -1.5506
526 P A -0.4008
527 D A -1.0100
528 G A -0.8360
529 Y A -0.3598
530 E A -1.1656
531 C A -1.5142
532 R A -2.2459
533 C A -1.6245
534 A A -1.4316
535 E A -1.0565
536 G A -0.6016
537 F A -1.1190
538 E A -2.4547
539 G A -0.8948
540 T A 0.0961
541 L A 1.0556
542 C A -0.4351
543 D A -1.6034
544 R A -2.8017
545 N A -2.2543
546 V A -2.0284
547 D A -3.3137
548 D A -3.7227
549 C A 0.0000
550 S A -2.1268
551 P A -1.3445
552 D A -1.8525
553 P A -1.4158
554 C A -1.4351
555 H A -1.7246
556 H A 0.0000
557 G A -1.3922
558 R A -2.3385
559 C A -1.7432
560 V A -0.8869
561 D A -1.2760
562 G A 0.0424
563 I A 1.4232
564 A A 0.8967
565 S A 0.7432
566 F A 0.9657
567 S A -0.0621
568 C A -0.4371
569 A A -0.2356
570 C A 0.0000
571 A A -0.0875
572 P A -0.0590
573 G A 0.0000
574 Y A 0.6789
575 T A 0.0000
576 G A -0.2059
577 T A -0.0354
578 C A -0.5251
579 C A -0.4658
580 E A -0.8730
581 S A -0.3929
582 Q A -0.8828
583 V A -0.6686
584 D A -2.1403
585 E A -1.9570
586 C A -1.7552
587 R A -2.5102
588 S A -1.5313
589 Q A -1.4796
590 P A -0.9698
591 C A -1.6755
592 R A -2.3861
593 H A -2.3246
594 G A -2.0921
595 G A -1.9657
596 K A -2.3874
597 C A -1.1785
598 L A 0.1878
599 D A -0.7635
600 L A 1.0418
601 V A 0.9699
602 D A -0.8665
603 K A -0.9425
604 Y A -0.4713
605 L A 0.0178
606 C A -0.7700
607 R A -2.0233
608 C A -1.9379
609 P A -1.4415
610 S A -0.6604
611 G A -0.1944
612 T A 0.0749
613 T A 0.4849
614 G A 0.0016
615 V A 1.3389
616 N A -0.1569
617 C A -0.6736
618 E A 0.0000
619 V A 0.3638
620 N A 0.2950
621 I A 0.4888
622 D A -1.7827
623 D A -2.4674
624 C A 0.0000
625 A A -0.6658
626 S A -0.5579
627 N A -0.5289
628 P A -0.2095
629 C A 0.8398
630 T A 1.2773
631 F A 2.4199
632 G A 1.7684
633 V A 1.8191
634 C A 0.2444
635 R A -1.8968
636 D A -1.8381
637 G A -1.1866
638 I A 0.2962
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1997 N A -1.1439
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2252 P A -1.9558
2253 E A -2.6402
2254 H A 0.0000
2255 W A 0.2883
2256 A A 0.3336
2257 S A -0.2359
2258 P A -0.1712
2259 S A -0.5229
2260 P A -0.9947
2261 P A -0.7316
2262 S A -0.4017
2263 L A -0.1698
2264 S A -0.6619
2265 D A -1.0605
2266 W A -0.3379
2267 S A -0.5834
2268 E A -1.2892
2269 S A -0.6491
2270 T A -0.4888
2271 P A -0.7679
2272 S A -0.8010
2273 P A -0.5696
2274 A A -0.4333
2275 T A -0.2588
2276 A A -0.2682
2277 T A -0.2004
2278 G A -0.2021
2279 A A 0.5166
2280 M A 1.0386
2281 A A 0.1126
2282 T A 0.0000
2283 T A -0.6826
2284 T A 0.0000
2285 G A -0.2295
2286 A A 0.1871
2287 L A 0.7284
2288 P A -0.2396
2289 A A 0.0779
2290 Q A 0.2312
2291 P A 0.8463
2292 L A 1.4310
2293 P A 1.2825
2294 L A 1.9675
2295 S A 0.8775
2296 V A 0.6434
2297 P A 0.2796
2298 S A -0.2545
2299 S A -0.3370
2300 L A 0.0000
2301 A A -1.0515
2302 Q A -1.7648
2303 A A -1.4204
2304 Q A -1.4500
2305 T A -0.5472
2306 Q A 0.0575
2307 L A 0.3928
2308 G A 0.0000
2309 P A -1.0634
2310 Q A -1.6129
2311 P A 0.0000
2312 E A -1.9078
2313 V A 0.0000
2314 T A -1.5771
2315 P A -2.3023
2316 K A -3.0372
2317 R A -3.2790
2318 Q A -2.3040
2319 V A -1.3429
2320 L A -0.2277
2321 A A -0.3526
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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, -0.5644 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_5 -0.5644 View CSV PDB
model_1 -0.569 View CSV PDB
model_7 -0.5737 View CSV PDB
model_2 -0.5764 View CSV PDB
model_3 -0.5868 View CSV PDB
model_6 -0.5959 View CSV PDB
model_0 -0.6034 View CSV PDB
CABS_average -0.6089 View CSV PDB
model_9 -0.6228 View CSV PDB
model_4 -0.6369 View CSV PDB
model_8 -0.6441 View CSV PDB
model_11 -0.6582 View CSV PDB
model_10 -0.6755 View CSV PDB
input -0.7544 View CSV PDB