Project name: R985C_4D

Status: done

Started: 2026-05-10 08:15:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFCCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:21:50)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:45:59)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:46:44)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:47:29)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:48:14)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:48:59)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:49:44)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:50:29)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:51:13)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:51:58)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:52:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:53:29)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:54:14)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:54:58)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:56:25)
[INFO]       Main:     Simulation completed successfully.                                          (12:57:08)
Show buried residues

Minimal score value
-4.2749
Maximal score value
4.0916
Average score
-0.5699
Total score value
-1322.7658

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 0.0067
2 G A -0.8744
3 P A 0.0000
4 G A -0.6993
5 A A -0.7491
6 R A -1.6568
7 G A -1.9639
8 R A -2.6696
9 R A -3.3009
10 R A -4.0808
11 R A -4.2749
12 R A -3.8312
13 R A -3.2172
14 P A -1.0879
15 M A 0.1218
16 S A 0.3538
17 P A 0.0943
18 P A -0.2006
19 P A -0.3743
20 P A -0.7519
21 P A 0.0000
22 P A -0.5463
23 P A -0.4831
24 V A 0.3728
25 R A -0.7834
26 A A 0.3374
27 L A 1.8197
28 P A 1.7694
29 L A 3.0811
30 L A 3.7875
31 L A 3.8023
32 L A 3.7017
33 L A 2.7832
34 A A 0.7184
35 G A -0.3321
36 P A -0.3028
37 G A -0.1665
38 A A -0.0002
39 A A 0.0614
40 A A 0.0000
41 P A -0.8519
42 P A -1.6559
43 C A 0.0000
44 L A -1.8641
45 D A -2.4163
46 G A -1.7161
47 S A -1.2246
48 P A -1.1712
49 C A -0.7378
50 A A -0.5779
51 N A -1.2277
52 G A -0.8783
53 G A 0.0000
54 R A -0.9117
55 C A -0.7293
56 T A -1.0120
57 Q A -1.9570
58 L A -1.4078
59 P A -1.4500
60 S A -1.5532
61 R A -2.3504
62 E A -2.7566
63 A A -1.7268
64 A A 0.0000
65 C A 0.0000
66 L A 0.2066
67 C A -0.0427
68 P A -0.3403
69 P A -0.7732
70 G A 0.0000
71 W A -0.9950
72 V A 0.0000
73 G A -1.3688
74 E A -2.0343
75 R A -2.2539
76 C A 0.0000
77 Q A -1.0995
78 L A -0.0274
79 E A -1.6768
80 D A -1.6068
81 P A 0.0000
82 C A 0.0000
83 H A -1.6583
84 S A -1.2544
85 G A -0.7639
86 P A -0.4693
87 C A -1.0120
88 A A -1.3200
89 G A -1.6241
90 R A -2.2361
91 G A -1.5846
92 V A -0.7281
93 C A -1.1404
94 Q A -1.7644
95 S A -1.3622
96 S A -1.4339
97 V A 0.0000
98 V A 0.0438
99 A A -0.0828
100 G A -0.0022
101 T A -0.0724
102 A A -0.9708
103 R A -1.9860
104 F A -1.5035
105 S A -1.4964
106 C A 0.0000
107 R A -2.7640
108 C A -1.9570
109 P A -1.9389
110 R A -2.5029
111 G A -1.5768
112 F A 0.0000
113 R A -2.5139
114 G A 0.0000
115 P A -1.9526
116 D A -2.7155
117 C A -1.5529
118 S A -0.4832
119 L A -0.5373
120 P A -1.0830
121 D A -1.5641
122 P A -0.9344
123 C A 0.4219
124 L A 1.6378
125 S A 1.0434
126 S A 0.6929
127 P A 0.3387
128 C A 0.0000
129 A A -0.5680
130 H A -1.0108
131 G A -1.1461
132 A A -1.2950
133 R A -1.6396
134 C A 0.0167
135 S A 0.2637
136 V A 0.8614
137 G A 0.0000
138 P A -1.9232
139 D A -2.9837
140 G A -0.8864
141 R A -0.8329
142 F A 1.8778
143 L A 1.8980
144 C A 0.7765
145 S A -0.0036
146 C A -0.3536
147 P A -0.6373
148 P A -0.7262
149 G A -0.5733
150 Y A -0.3432
151 Q A -1.6820
152 G A -1.9109
153 R A -2.5856
154 S A -1.4169
155 C A -1.0192
156 R A -1.8658
157 S A 0.0000
158 D A -1.6177
159 V A -1.3423
160 D A -2.1674
161 E A -1.6193
162 C A -1.4091
163 R A -2.1726
164 V A -1.0689
165 G A -1.5881
166 E A -2.8536
167 P A -2.3330
168 C A -2.4718
169 R A -2.5760
170 H A -2.2191
171 G A -1.4715
172 G A -1.2188
173 T A -1.1846
174 C A -1.0490
175 L A -0.5652
176 N A -1.0992
177 T A -0.8553
178 P A -1.0386
179 G A -0.9046
180 S A -0.5706
181 F A -0.9229
182 R A -1.6516
183 C A 0.0000
184 Q A -1.8754
185 C A -1.7763
186 P A -0.5249
187 A A 0.0000
188 G A 0.1263
189 Y A 0.0000
190 T A -0.6423
191 G A -0.9454
192 P A -1.0134
193 L A -0.0696
194 C A 0.0000
195 E A -2.3130
196 N A -1.8026
197 P A -0.8638
198 A A -0.1149
199 V A 0.5823
200 P A 0.1251
201 C A -0.1439
202 A A -0.5053
203 P A -0.5848
204 S A -0.4373
205 P A -0.7703
206 C A -0.9735
207 R A -2.1265
208 N A -1.8909
209 G A -0.8832
210 G A -1.0291
211 T A -1.1368
212 C A -1.3374
213 R A -2.6497
214 Q A -2.3679
215 S A -1.8065
216 G A -1.5569
217 D A -1.4550
218 L A 0.3860
219 T A -0.4116
220 Y A -0.5651
221 D A -1.4709
222 C A -0.9182
223 A A -0.3784
224 C A -0.2511
225 L A 0.8624
226 P A 0.0000
227 G A 0.9945
228 F A 2.0681
229 E A 0.0000
230 G A -0.6362
231 Q A -1.7468
232 N A -1.8145
233 C A -0.7034
234 E A -0.5806
235 V A 1.0493
236 N A 0.0000
237 V A 1.2801
238 D A -0.1822
239 D A -0.9008
240 C A 0.0000
241 P A -0.7900
242 G A -1.1424
243 H A -1.2629
244 R A -1.9643
245 C A -0.7786
246 L A 0.3955
247 N A -1.0050
248 G A -1.0491
249 G A -0.9664
250 T A -0.6486
251 C A 0.1668
252 V A 0.6407
253 D A 0.4621
254 G A 0.5182
255 V A 0.3237
256 N A -1.1174
257 T A -0.0241
258 Y A 0.4234
259 N A -0.0392
260 C A 0.0000
261 Q A -0.0550
262 C A 0.0000
263 P A -0.4322
264 P A -0.6758
265 E A -0.7680
266 W A -0.0368
267 T A -0.0867
268 G A -0.4102
269 Q A -0.0390
270 F A 1.2177
271 C A 0.3078
272 T A -0.6059
273 E A -1.7714
274 D A -1.4821
275 V A -0.4321
276 D A -2.2145
277 E A -1.7884
278 C A 0.0000
279 Q A -1.1003
280 L A 0.3981
281 Q A -0.7223
282 P A -0.7503
283 N A 0.0000
284 A A -1.4257
285 C A -1.1874
286 H A 0.0000
287 N A -1.5582
288 G A -0.6737
289 G A 0.3851
290 T A 0.6834
291 C A 1.0065
292 F A 1.6538
293 N A -0.1994
294 T A 0.0300
295 L A 0.5227
296 G A -0.4959
297 G A -0.4832
298 H A -0.5537
299 S A 0.7219
300 C A 1.5858
301 V A 2.5039
302 C A 1.7816
303 V A 2.2873
304 N A 0.7686
305 G A 0.4361
306 W A 0.8561
307 T A -0.2110
308 G A -0.9927
309 E A -1.4815
310 S A -0.7552
311 C A 0.3103
312 S A 0.0000
313 Q A -0.8558
314 N A 0.0000
315 I A 0.0000
316 D A -1.7176
317 D A -0.4989
318 C A -1.0050
319 A A -0.0633
320 T A -0.0456
321 A A 0.7032
322 V A 0.3750
323 C A 0.0000
324 F A -1.2370
325 H A -1.9222
326 G A -1.9537
327 A A -1.6687
328 T A -1.5213
329 C A 0.0000
330 H A -1.2836
331 D A 0.0000
332 R A -1.9915
333 V A -0.7670
334 A A -0.2575
335 S A -0.2568
336 F A 0.6589
337 Y A 1.3793
338 C A 0.0000
339 A A -0.0338
340 C A 0.0000
341 P A -0.8103
342 M A -0.8531
343 G A -1.1510
344 K A -1.7635
345 T A -0.4963
346 G A -0.0583
347 L A 1.0127
348 L A 1.2151
349 C A 0.0000
350 H A 0.4545
351 L A 0.7565
352 D A -0.4888
353 D A -0.9183
354 A A -0.4695
355 C A 0.0000
356 V A 0.6790
357 S A -0.0317
358 N A -1.0099
359 P A -0.7976
360 C A -1.4496
361 H A -2.2901
362 E A -3.0994
363 D A -2.7563
364 A A -1.3153
365 I A -0.2300
366 C A -0.1214
367 D A -0.8219
368 T A 0.0000
369 N A -0.5976
370 P A 0.0000
371 V A 1.5214
372 N A -0.1531
373 G A -0.5238
374 R A 0.0000
375 A A -0.6390
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.8386
381 P A -0.7376
382 G A -0.6531
383 F A -0.5403
384 T A 0.0000
385 G A 0.0000
386 G A 0.0000
387 A A 0.0000
388 C A 0.0000
389 D A -2.2905
390 Q A -1.3330
391 D A 0.0000
392 V A 0.0000
393 D A -0.6029
394 E A 0.0000
395 C A 0.2514
396 S A -0.4095
397 I A -0.4018
398 G A -0.7111
399 A A -0.6756
400 N A -0.7808
401 P A -0.8720
402 C A -0.9421
403 E A -1.7099
404 H A -1.1148
405 L A -0.4458
406 G A -1.1295
407 R A -1.4996
408 C A -0.1966
409 V A 0.0605
410 N A 0.0000
411 T A -0.7601
412 Q A -0.9454
413 G A -0.5060
414 S A -0.1341
415 F A 0.3158
416 L A 0.4096
417 C A -0.3887
418 Q A -0.8084
419 C A -0.8319
420 G A -0.7435
421 R A 0.0000
422 G A -0.4765
423 Y A -0.3793
424 T A -0.4704
425 G A -0.5820
426 P A -0.6454
427 R A -0.8573
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.5736
432 V A -0.7597
433 N A -0.9961
434 E A -1.1641
435 C A -0.4201
436 L A 0.1240
437 S A -0.2631
438 G A -0.1115
439 P A -0.6948
440 C A 0.0000
441 R A -1.5644
442 N A -2.1012
443 Q A -1.4222
444 A A -0.2174
445 T A 0.0029
446 C A 0.6431
447 L A 0.9901
448 D A -1.1099
449 R A -2.0148
450 I A -1.0498
451 G A -1.1571
452 Q A -0.7080
453 F A 0.5566
454 T A 0.8127
455 C A 1.0848
456 I A 1.4689
457 C A 0.0000
458 M A 1.2475
459 A A 0.4826
460 G A -0.0313
461 F A 1.1088
462 T A 0.2057
463 G A 0.0102
464 T A 0.4071
465 Y A 1.1264
466 C A 0.0000
467 E A -0.1073
468 V A 0.6312
469 D A -0.3961
470 I A -0.3079
471 D A -2.1173
472 E A -2.3020
473 C A 0.0000
474 Q A -2.1131
475 S A -1.5678
476 S A -0.9929
477 P A -0.5195
478 C A 0.0221
479 V A 0.0213
480 N A -0.9285
481 G A -0.5200
482 G A 0.1625
483 V A 0.9805
484 C A -0.4718
485 K A -1.7116
486 D A -1.8159
487 R A -1.5486
488 V A 0.4474
489 N A -0.7070
490 G A 0.0000
491 F A -0.3326
492 S A -0.4146
493 C A 0.2436
494 T A 0.6252
495 C A 0.8647
496 P A 0.2999
497 S A -0.1010
498 G A -0.4146
499 F A 1.2216
500 S A 0.3359
501 G A -0.1508
502 S A -0.3184
503 T A -0.4056
504 C A 0.0000
505 Q A -0.1379
506 L A 0.4837
507 D A -0.8506
508 V A -1.3346
509 D A -3.0268
510 E A -3.2891
511 C A -1.6081
512 A A -0.2160
513 S A -0.0047
514 T A -0.4648
515 P A -1.3668
516 C A -1.9683
517 R A -3.0428
518 N A -2.8529
519 G A -2.1821
520 A A 0.0000
521 K A -2.7224
522 C A 0.0000
523 V A -0.9962
524 D A -2.2884
525 Q A -2.6000
526 P A -2.2432
527 D A -3.1548
528 G A 0.0000
529 Y A -1.9072
530 E A -1.9319
531 C A -1.2563
532 R A -2.0719
533 C A -0.9171
534 A A -0.5770
535 E A 0.0000
536 G A -0.6411
537 F A 0.2721
538 E A -0.6092
539 G A -0.4942
540 T A 0.0069
541 L A 1.1617
542 C A -0.1521
543 D A -1.4898
544 R A -1.4340
545 N A -1.6362
546 V A -0.3692
547 D A -1.9676
548 D A -2.1050
549 C A -1.7163
550 S A -1.8937
551 P A -2.0985
552 D A -2.2024
553 P A -1.7448
554 C A -1.9910
555 H A -2.0562
556 H A -2.2835
557 G A -1.8253
558 R A -1.8166
559 C A -0.2792
560 V A 0.9461
561 D A -0.4261
562 G A 0.3674
563 I A 1.6696
564 A A 0.6720
565 S A 0.1100
566 F A 0.3720
567 S A -0.1621
568 C A 0.0000
569 A A -0.9448
570 C A 0.0000
571 A A -1.0548
572 P A -0.4171
573 G A -0.1056
574 Y A 0.0305
575 T A -0.6265
576 G A -1.5400
577 T A -1.3638
578 R A -2.5760
579 C A 0.0000
580 E A -2.0708
581 S A -0.9720
582 Q A -0.6365
583 V A 0.6170
584 D A -1.2315
585 E A -2.2140
586 C A -1.8010
587 R A -3.0039
588 S A -1.7488
589 Q A -2.5453
590 P A -1.6122
591 C A -1.5882
592 R A -1.2729
593 H A -1.8414
594 G A -1.8808
595 G A -1.6248
596 K A -1.7012
597 C A -0.5243
598 L A 0.9534
599 D A 0.3969
600 L A 1.8902
601 V A 1.6040
602 D A -0.7517
603 K A -1.0404
604 Y A 0.0000
605 L A -0.7173
606 C A 0.0000
607 R A -1.4713
608 C A 0.0000
609 P A -0.7863
610 S A -0.4737
611 G A -0.5298
612 T A 0.0189
613 T A 0.3406
614 G A 0.5371
615 V A 0.7856
616 N A -0.4960
617 C A -0.7541
618 E A 0.0266
619 V A 0.6914
620 N A 0.0000
621 I A 0.7535
622 D A -1.3409
623 D A -1.5054
624 C A -0.4061
625 A A -0.2474
626 S A -0.4849
627 N A -0.2764
628 P A 0.1581
629 C A 1.3655
630 T A 1.4328
631 F A 2.1132
632 G A 1.7990
633 V A 1.3233
634 C A 0.1338
635 R A -1.9156
636 D A -1.5651
637 G A -1.5473
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2255 W A 0.0236
2256 A A 0.0268
2257 S A -0.4983
2258 P A -0.3168
2259 S A -0.3869
2260 P A 0.0000
2261 P A -0.4225
2262 S A -0.3507
2263 L A 0.1481
2264 S A -0.8865
2265 D A -1.3541
2266 W A -0.0818
2267 S A -0.2332
2268 E A 0.0000
2269 S A -0.0509
2270 T A -0.0661
2271 P A 0.0000
2272 S A -0.0731
2273 P A -0.0572
2274 A A 0.4571
2275 T A 0.2494
2276 A A -0.1389
2277 T A -0.2960
2278 G A -0.3937
2279 A A 0.3782
2280 M A 0.9854
2281 A A 0.3680
2282 T A -0.0376
2283 T A -0.2530
2284 T A -0.3133
2285 G A -0.2883
2286 A A 0.3897
2287 L A 0.2827
2288 P A -0.8082
2289 A A -1.0666
2290 Q A -1.8148
2291 P A -0.9048
2292 L A -0.3952
2293 P A -0.2965
2294 L A 0.0617
2295 S A -0.2932
2296 V A 0.2591
2297 P A -0.3864
2298 S A -0.4713
2299 S A 0.1765
2300 L A 1.1148
2301 A A 0.9308
2302 Q A 0.0446
2303 A A -0.4302
2304 Q A -1.4629
2305 T A -1.2323
2306 Q A -1.5253
2307 L A -0.3718
2308 G A -0.4086
2309 P A -0.4171
2310 Q A -1.0779
2311 P A -0.6487
2312 E A -0.7455
2313 V A 0.5891
2314 T A -0.4801
2315 P A -0.4278
2316 K A -1.8059
2317 R A -1.6178
2318 Q A -0.2131
2319 V A 1.5396
2320 L A 1.1188
2321 A A 0.1289
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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, -0.5699 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 -0.5699 View CSV PDB
model_5 -0.5941 View CSV PDB
model_2 -0.5948 View CSV PDB
model_4 -0.5954 View CSV PDB
model_3 -0.6011 View CSV PDB
model_9 -0.6102 View CSV PDB
CABS_average -0.6129 View CSV PDB
model_7 -0.6133 View CSV PDB
model_0 -0.6218 View CSV PDB
model_10 -0.6251 View CSV PDB
model_6 -0.6268 View CSV PDB
model_11 -0.6418 View CSV PDB
model_8 -0.6605 View CSV PDB
input -0.739 View CSV PDB