Project name: C542R_5_4D

Status: done

Started: 2026-05-19 00:26:37
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLRDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                                (00:33:33)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (17:41:47)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (17:42:33)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (17:43:17)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (17:44:01)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (17:44:44)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (17:45:29)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (17:46:12)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (17:46:54)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (17:47:37)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (17:48:19)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (17:49:02)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (17:49:44)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (17:50:26)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (17:51:50)
[INFO]       Main:     Simulation completed successfully.                                          (17:52:32)
Show buried residues

Minimal score value
-2.709
Maximal score value
2.2033
Average score
-0.2114
Total score value
-490.6037

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 0.5680
2 G A -0.1277
3 P A -0.1584
4 G A -0.3726
5 A A -0.1018
6 R A -0.3926
7 G A 0.0000
8 R A 0.0000
9 R A -1.3036
10 R A -0.8636
11 R A -1.1371
12 R A -2.3032
13 R A -2.1141
14 P A -0.5826
15 M A 0.0000
16 S A -0.0889
17 P A -0.2807
18 P A -0.1918
19 P A -0.2729
20 P A 0.0000
21 P A -0.1000
22 P A -0.3025
23 P A -0.4108
24 V A 0.0000
25 R A -1.8492
26 A A -0.2482
27 L A 0.2968
28 P A 0.0219
29 L A 0.0000
30 L A 1.8470
31 L A 2.0649
32 L A 0.7666
33 L A 1.7664
34 A A 0.2793
35 G A -0.1199
36 P A 0.0000
37 G A -0.1164
38 A A -0.0099
39 A A 0.0000
40 A A -0.0031
41 P A 0.0000
42 P A -0.1736
43 C A 0.1513
44 L A 0.0051
45 D A -1.7561
46 G A -0.5397
47 S A -0.2895
48 P A -0.2243
49 C A 0.3214
50 A A -0.1385
51 N A -1.3549
52 G A -0.7945
53 G A -0.7521
54 R A -1.0884
55 C A 0.0049
56 T A 0.0000
57 Q A 0.0000
58 L A 0.4106
59 P A -0.0501
60 S A -0.1263
61 R A -0.6447
62 E A -1.2504
63 A A -0.2053
64 A A 0.0408
65 C A 0.1017
66 L A 0.0000
67 C A 0.0000
68 P A -0.1207
69 P A -0.3555
70 G A -0.4453
71 W A 0.0316
72 V A 0.0000
73 G A 0.0000
74 E A -2.1616
75 R A -2.1724
76 C A -0.5275
77 Q A -0.4192
78 L A 0.0000
79 E A -1.8236
80 D A -0.6218
81 P A -0.1090
82 C A 0.0000
83 H A -1.0308
84 S A -0.4958
85 G A -0.5599
86 P A -0.3239
87 C A 0.0862
88 A A -0.0370
89 G A -0.7090
90 R A -1.5042
91 G A -0.7202
92 V A 0.0000
93 C A 0.0372
94 Q A -0.0997
95 S A 0.0000
96 S A -0.2389
97 V A 0.3677
98 V A 1.0078
99 A A 0.1540
100 G A -0.4654
101 T A -0.1397
102 A A -0.3225
103 R A -1.6616
104 F A 0.6120
105 S A 0.1203
106 C A 0.0000
107 R A -1.0942
108 C A 0.0000
109 P A -0.1516
110 R A -0.4594
111 G A -0.4895
112 F A 0.0860
113 R A -0.5160
114 G A -0.2492
115 P A -0.6751
116 D A -1.7505
117 C A 0.1382
118 S A 0.1329
119 L A 0.7666
120 P A -0.1480
121 D A -0.5110
122 P A -0.1082
123 C A 0.7788
124 L A 0.4996
125 S A -0.1388
126 S A -0.0574
127 P A -0.2338
128 C A 0.1046
129 A A -0.0057
130 H A -0.5651
131 G A -0.5528
132 A A -0.4091
133 R A -1.8214
134 C A -0.2456
135 S A -0.0094
136 V A 0.2466
137 G A -0.1706
138 P A -0.4672
139 D A -1.8822
140 G A -1.1545
141 R A -1.8685
142 F A 0.3080
143 L A 1.6420
144 C A 0.4530
145 S A 0.0680
146 C A 0.6411
147 P A 0.0003
148 P A -0.1574
149 G A -0.2257
150 Y A 0.9977
151 Q A -1.0403
152 G A -1.0574
153 R A -1.9421
154 S A -0.4004
155 C A 0.0000
156 R A -1.3406
157 S A -0.3666
158 D A -1.3432
159 V A -0.0909
160 D A -0.9442
161 E A -1.0992
162 C A 0.0000
163 R A -1.7829
164 V A -0.1153
165 G A -0.6507
166 E A -2.1272
167 P A -0.5820
168 C A 0.0000
169 R A -2.2196
170 H A -1.4170
171 G A -0.6699
172 G A -0.2061
173 T A -0.0617
174 C A 0.2382
175 L A 0.8683
176 N A -0.3464
177 T A -0.1528
178 P A -0.2184
179 G A -0.5299
180 S A -0.2276
181 F A 0.0424
182 R A -1.1307
183 C A 0.0000
184 Q A 0.0000
185 C A 0.2907
186 P A -0.1525
187 A A 0.0455
188 G A 0.1732
189 Y A 1.2373
190 T A 0.0742
191 G A -0.1894
192 P A -0.0439
193 L A 1.2574
194 C A 0.2178
195 E A -1.3065
196 N A -1.5281
197 P A -0.4630
198 A A 0.3394
199 V A 1.7223
200 P A 0.2193
201 C A 0.0000
202 A A -0.0501
203 P A -0.2577
204 S A -0.1243
205 P A -0.2434
206 C A -0.0646
207 R A -0.6942
208 N A -0.6838
209 G A -0.5792
210 G A -0.2808
211 T A -0.0198
212 C A -0.0105
213 R A -2.0635
214 Q A -1.5486
215 S A -0.3782
216 G A -0.8292
217 D A -1.5856
218 L A 1.1987
219 T A 0.2266
220 Y A 0.0916
221 D A -0.7824
222 C A 0.0000
223 A A 0.0492
224 C A 0.0000
225 L A 1.5398
226 P A 0.1975
227 G A 0.2996
228 F A 1.5486
229 E A -1.5262
230 G A -1.1746
231 Q A -1.5162
232 N A -1.4871
233 C A -0.5113
234 E A -1.8108
235 V A -0.1364
236 N A 0.0000
237 V A 1.7477
238 D A 0.0000
239 D A -1.8442
240 C A 0.0000
241 P A -0.3253
242 G A -0.5108
243 H A 0.0000
244 R A -1.7968
245 C A -0.1080
246 L A 0.0000
247 N A 0.0000
248 G A -0.1553
249 G A -0.2873
250 T A -0.1131
251 C A 0.4033
252 V A 0.7013
253 D A -1.0664
254 G A 0.0881
255 V A 1.5226
256 N A -0.9460
257 T A -0.0413
258 Y A 1.2209
259 N A -0.2220
260 C A 0.0000
261 Q A -0.9092
262 C A 0.0000
263 P A 0.0000
264 P A -0.2549
265 E A 0.0000
266 W A 0.0000
267 T A 0.0000
268 G A -0.6246
269 Q A -0.4657
270 F A 1.3851
271 C A 0.4784
272 T A 0.0273
273 E A 0.0000
274 D A 0.0000
275 V A 0.0000
276 D A -0.7005
277 E A 0.0000
278 C A -0.0538
279 Q A -0.9316
280 L A 1.0068
281 Q A -0.2742
282 P A -0.4258
283 N A -0.4442
284 A A 0.0107
285 C A 0.1248
286 H A -0.1989
287 N A -0.2660
288 G A -0.3503
289 G A -0.5323
290 T A -0.0690
291 C A 0.2868
292 F A 0.5605
293 N A -0.2165
294 T A 0.1614
295 L A 1.5159
296 G A 0.1608
297 G A -0.1014
298 H A 0.0000
299 S A -0.1762
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A 0.6396
304 N A -0.2578
305 G A -0.2922
306 W A 0.0000
307 T A -0.1103
308 G A -0.8144
309 E A -1.9125
310 S A -0.5004
311 C A 0.0816
312 S A -0.1314
313 Q A -0.9398
314 N A -0.6335
315 I A 1.6185
316 D A 0.0354
317 D A -0.3272
318 C A 0.0000
319 A A 0.0124
320 T A 0.1734
321 A A 0.3412
322 V A 1.7899
323 C A 0.5492
324 F A 0.4017
325 H A -0.9723
326 G A -0.6540
327 A A -0.1949
328 T A 0.0000
329 C A 0.2437
330 H A 0.0000
331 D A -0.6247
332 R A 0.0000
333 V A 1.7837
334 A A 0.3815
335 S A 0.1954
336 F A 1.1973
337 Y A 0.4586
338 C A 0.4454
339 A A 0.1578
340 C A 0.3179
341 P A -0.1528
342 M A 0.0804
343 G A -0.3970
344 K A -1.7181
345 T A 0.0000
346 G A 0.0000
347 L A 0.5282
348 L A 1.6267
349 C A 0.3422
350 H A -0.8650
351 L A -0.0432
352 D A -1.7737
353 D A -0.7275
354 A A -0.0358
355 C A 0.0000
356 V A 0.4750
357 S A -0.2497
358 N A -0.8556
359 P A -0.3146
360 C A 0.0130
361 H A -0.0894
362 E A 0.0000
363 D A -0.2508
364 A A -0.0239
365 I A 0.0000
366 C A 0.0000
367 D A -0.4642
368 T A 0.0000
369 N A -0.6065
370 P A 0.0549
371 V A 1.5212
372 N A -1.0250
373 G A -1.1131
374 R A -1.9203
375 A A 0.0329
376 I A 1.7155
377 C A 0.5451
378 T A 0.0319
379 C A 0.0430
380 P A -0.2404
381 P A -0.1608
382 G A -0.0875
383 F A 1.8389
384 T A 0.2748
385 G A -0.3621
386 G A -0.5068
387 A A -0.0408
388 C A 0.0000
389 D A -1.0141
390 Q A 0.0000
391 D A -0.4443
392 V A 0.2381
393 D A -0.3495
394 E A -0.6311
395 C A 0.0000
396 S A 0.1245
397 I A 0.7340
398 G A -0.3090
399 A A 0.0000
400 N A 0.0000
401 P A -0.0264
402 C A 0.0000
403 E A -1.0484
404 H A -0.3606
405 L A 0.4062
406 G A 0.0000
407 R A -1.3787
408 C A 0.0000
409 V A 0.7946
410 N A -0.3409
411 T A -0.3457
412 Q A -1.2124
413 G A -0.3016
414 S A 0.0000
415 F A 0.0000
416 L A 0.3896
417 C A 0.0000
418 Q A -0.5876
419 C A -0.1284
420 G A -0.5589
421 R A -0.6656
422 G A -0.2303
423 Y A 0.0000
424 T A 0.0000
425 G A 0.0000
426 P A -0.1535
427 R A -0.3251
428 C A 0.0000
429 E A -0.2411
430 T A 0.0000
431 D A 0.0000
432 V A 0.4970
433 N A -0.1382
434 E A -0.3664
435 C A 0.2769
436 L A 0.4330
437 S A -0.1323
438 G A 0.0000
439 P A -0.2549
440 C A 0.0000
441 R A -2.0306
442 N A 0.0000
443 Q A -0.6543
444 A A 0.0000
445 T A -0.0219
446 C A 0.0000
447 L A 0.4407
448 D A 0.0000
449 R A -0.6745
450 I A 0.8731
451 G A 0.0563
452 Q A -0.4868
453 F A 0.0000
454 T A -0.0122
455 C A 0.0000
456 I A 1.0827
457 C A 0.0000
458 M A 0.5354
459 A A 0.1301
460 G A 0.0000
461 F A 0.2727
462 T A 0.0000
463 G A -0.1021
464 T A 0.1586
465 Y A 1.3020
466 C A 0.0000
467 E A -1.8010
468 V A 0.7542
469 D A -0.0143
470 I A 0.2271
471 D A -0.6411
472 E A -0.3193
473 C A 0.0000
474 Q A -1.2386
475 S A -0.4801
476 S A -0.2886
477 P A -0.1463
478 C A 0.2129
479 V A 0.0346
480 N A -1.3120
481 G A -0.7285
482 G A 0.1186
483 V A 1.6370
484 C A 0.5083
485 K A 0.0000
486 D A -0.3967
487 R A -0.3064
488 V A 0.2877
489 N A -0.0950
490 G A -0.0772
491 F A 0.0000
492 S A 0.0000
493 C A 0.0000
494 T A -0.0409
495 C A 0.0000
496 P A -0.2714
497 S A -0.1652
498 G A -0.3865
499 F A 0.2953
500 S A 0.0058
501 G A -0.2237
502 S A -0.1749
503 T A 0.0000
504 C A 0.0337
505 Q A 0.0808
506 L A 1.3340
507 D A -0.2272
508 V A 1.2656
509 D A -0.6933
510 E A -1.4826
511 C A 0.0000
512 A A 0.0179
513 S A -0.2057
514 T A -0.1098
515 P A -0.3178
516 C A -0.0721
517 R A -0.9307
518 N A -1.4897
519 G A -0.6764
520 A A -0.2448
521 K A -1.0054
522 C A 0.1986
523 V A 0.6965
524 D A -0.5457
525 Q A -0.7684
526 P A -0.6994
527 D A -1.8492
528 G A -0.1537
529 Y A 1.0195
530 E A -0.6292
531 C A 0.1058
532 R A -1.6905
533 C A -0.2505
534 A A -0.2079
535 E A -1.5581
536 G A 0.0029
537 F A 1.9286
538 E A 0.0000
539 G A -0.2919
540 T A 0.1699
541 L A 1.1912
542 R A -1.6139
543 D A -0.8654
544 R A -1.2517
545 N A -0.2063
546 V A 1.6414
547 D A -0.3718
548 D A -1.7440
549 C A 0.0000
550 S A -0.2013
551 P A -0.6282
552 D A -1.9165
553 P A -0.7425
554 C A 0.1480
555 H A -0.8165
556 H A -1.1353
557 G A -0.7351
558 R A -1.7483
559 C A 0.5031
560 V A 1.0373
561 D A -1.3478
562 G A -0.4817
563 I A 1.4960
564 A A 0.3719
565 S A 0.0000
566 F A 0.7239
567 S A 0.0000
568 C A 0.0000
569 A A 0.0090
570 C A 0.0000
571 A A 0.0000
572 P A -0.0532
573 G A 0.1482
574 Y A 0.2295
575 T A -0.0186
576 G A -0.4715
577 T A -0.1456
578 R A -0.0814
579 C A 0.4024
580 E A -1.4301
581 S A -0.6074
582 Q A -0.8397
583 V A 1.1981
584 D A -1.7031
585 E A -1.5429
586 C A -0.1379
587 R A -1.7774
588 S A -0.6709
589 Q A -1.2179
590 P A 0.0000
591 C A 0.1910
592 R A -0.6476
593 H A -0.7043
594 G A -0.6087
595 G A -0.6530
596 K A -1.6247
597 C A 0.5991
598 L A 1.3233
599 D A -1.1851
600 L A 1.1161
601 V A 0.6755
602 D A -0.6244
603 K A -1.5797
604 Y A -0.0539
605 L A 1.5771
606 C A 0.0000
607 R A -1.7544
608 C A 0.0000
609 P A -0.1102
610 S A -0.1384
611 G A -0.4736
612 T A -0.1754
613 T A -0.0541
614 G A -0.2399
615 V A 0.5577
616 N A -1.1117
617 C A 0.0000
618 E A -0.9846
619 V A 1.4154
620 N A -0.0881
621 I A 0.5916
622 D A 0.0000
623 D A -0.4600
624 C A 0.2680
625 A A 0.1021
626 S A -0.3586
627 N A -1.3454
628 P A -0.4637
629 C A 0.1008
630 T A 0.3340
631 F A 1.8876
632 G A 0.4140
633 V A 1.7728
634 C A 0.2031
635 R A -2.0273
636 D A -1.5023
637 G A -0.1467
638 I A 1.7591
639 N A -1.2452
640 R A -1.8458
641 Y A 0.9026
642 D A -0.2672
643 C A 0.0000
644 V A 0.3872
645 C A 0.0000
646 Q A -0.9861
647 P A -0.5228
648 G A -0.5155
649 F A 0.0000
650 T A -0.1194
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2283 T A 0.0077
2284 T A -0.1056
2285 G A -0.3302
2286 A A 0.2495
2287 L A 1.5136
2288 P A 0.0942
2289 A A -0.2004
2290 Q A -1.2357
2291 P A -0.4086
2292 L A 0.3254
2293 P A 0.3404
2294 L A 1.5574
2295 S A 0.5777
2296 V A 1.7412
2297 P A 0.1932
2298 S A -0.1679
2299 S A -0.0610
2300 L A 0.6360
2301 A A 0.1113
2302 Q A -0.3683
2303 A A -0.0978
2304 Q A -0.1843
2305 T A -0.1102
2306 Q A -0.2476
2307 L A 0.2400
2308 G A -0.0132
2309 P A -0.1464
2310 Q A -0.7599
2311 P A -0.5813
2312 E A -1.1294
2313 V A 1.5117
2314 T A 0.2707
2315 P A -0.5826
2316 K A -2.0925
2317 R A -2.1948
2318 Q A -0.2296
2319 V A 1.7331
2320 L A 1.2535
2321 A A 0.2203
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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, -0.2114 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_3 -0.2114 View CSV PDB
model_1 -0.2139 View CSV PDB
model_10 -0.2158 View CSV PDB
model_5 -0.2184 View CSV PDB
model_8 -0.2261 View CSV PDB
CABS_average -0.2276 View CSV PDB
model_7 -0.2288 View CSV PDB
model_4 -0.2309 View CSV PDB
model_6 -0.2313 View CSV PDB
model_0 -0.2344 View CSV PDB
model_9 -0.2354 View CSV PDB
model_2 -0.2383 View CSV PDB
model_11 -0.2461 View CSV PDB
input -0.2829 View CSV PDB