Project name: C245Y_5_4D

Status: done

Started: 2026-05-18 05:16:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRYLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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                                                (00:18:23)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:44:35)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:45:54)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:47:08)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:48:26)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:49:43)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:51:00)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:52:15)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:53:30)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:54:44)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:55:54)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (18:57:03)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (18:58:12)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (18:59:25)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (19:02:56)
Show buried residues

Minimal score value
-2.751
Maximal score value
2.1388
Average score
-0.2221
Total score value
-515.4132

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 0.1980
2 G A -0.1250
3 P A -0.3162
4 G A -0.2524
5 A A 0.0000
6 R A -1.8823
7 G A -0.7843
8 R A -0.5954
9 R A -2.4117
10 R A -2.5557
11 R A -2.7510
12 R A -2.2691
13 R A -0.6562
14 P A 0.0403
15 M A 0.9849
16 S A 0.0000
17 P A -0.1557
18 P A -0.2767
19 P A -0.1729
20 P A -0.2834
21 P A -0.1395
22 P A -0.1303
23 P A -0.0551
24 V A 0.0000
25 R A 0.0000
26 A A 0.1694
27 L A 0.0000
28 P A 0.0775
29 L A 1.5088
30 L A 0.0000
31 L A 1.5848
32 L A 0.7742
33 L A 1.5839
34 A A 0.0000
35 G A -0.4782
36 P A -0.2394
37 G A -0.4685
38 A A -0.0163
39 A A 0.0000
40 A A -0.0023
41 P A -0.1384
42 P A -0.1827
43 C A 0.0722
44 L A 0.0000
45 D A -1.8086
46 G A -0.4724
47 S A -0.1951
48 P A -0.0969
49 C A 0.0000
50 A A -0.2017
51 N A -1.3137
52 G A -0.5882
53 G A -0.8704
54 R A -1.8930
55 C A -0.1493
56 T A 0.0000
57 Q A -1.1983
58 L A 0.0000
59 P A -0.1010
60 S A -0.3520
61 R A -1.0769
62 E A -1.9530
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.2095
67 C A 0.0000
68 P A -0.3023
69 P A -0.3720
70 G A -0.4893
71 W A -0.0111
72 V A 0.0000
73 G A 0.0000
74 E A -0.8430
75 R A -1.6030
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0000
79 E A -1.0367
80 D A -0.7488
81 P A -0.1734
82 C A 0.2176
83 H A -0.1018
84 S A -0.0718
85 G A 0.0000
86 P A -0.1753
87 C A 0.0480
88 A A -0.0199
89 G A -0.7989
90 R A -2.0031
91 G A -0.3975
92 V A 1.7659
93 C A 0.5103
94 Q A -0.8776
95 S A -0.3250
96 S A 0.1562
97 V A 1.4351
98 V A 0.6021
99 A A 0.1020
100 G A -0.1589
101 T A 0.0000
102 A A 0.0000
103 R A -0.2478
104 F A 0.3689
105 S A 0.0000
106 C A 0.0000
107 R A -0.4324
108 C A -0.0579
109 P A -0.5190
110 R A -1.9630
111 G A -0.6393
112 F A 0.8408
113 R A -0.0914
114 G A 0.0000
115 P A -0.4678
116 D A -1.0941
117 C A 0.0000
118 S A -0.0971
119 L A 0.4255
120 P A -0.0601
121 D A -0.3985
122 P A -0.2277
123 C A 0.3001
124 L A 1.2807
125 S A 0.1526
126 S A -0.2723
127 P A -0.1584
128 C A 0.6948
129 A A 0.0088
130 H A -1.0678
131 G A -0.6512
132 A A -0.4048
133 R A -1.7500
134 C A 0.1114
135 S A 0.2102
136 V A 1.5204
137 G A -0.0655
138 P A -0.2974
139 D A -0.6997
140 G A -0.9474
141 R A -1.6787
142 F A 0.2434
143 L A 1.1100
144 C A 0.4679
145 S A -0.1422
146 C A 0.0304
147 P A -0.2827
148 P A -0.3400
149 G A -0.0358
150 Y A 0.8218
151 Q A -1.0823
152 G A -1.0368
153 R A -1.9717
154 S A -0.4230
155 C A 0.4943
156 R A -0.9059
157 S A -0.3356
158 D A -0.5858
159 V A 0.0000
160 D A -1.1680
161 E A -0.7020
162 C A 0.0000
163 R A -1.4984
164 V A 1.3630
165 G A -0.2608
166 E A -1.9091
167 P A -0.5479
168 C A -0.1615
169 R A -1.5154
170 H A -0.7398
171 G A -0.3824
172 G A -0.5169
173 T A -0.1026
174 C A 0.3615
175 L A 0.8782
176 N A 0.0000
177 T A -0.0563
178 P A -0.3455
179 G A -0.5457
180 S A -0.2497
181 F A 0.0000
182 R A -0.5529
183 C A 0.0000
184 Q A -0.9339
185 C A 0.0000
186 P A -0.2452
187 A A -0.0282
188 G A -0.3039
189 Y A 0.1934
190 T A 0.0000
191 G A -0.1613
192 P A 0.1031
193 L A 0.9387
194 C A 0.0741
195 E A -1.9955
196 N A -1.6020
197 P A -0.3122
198 A A 0.1818
199 V A 0.8182
200 P A 0.0708
201 C A 0.4017
202 A A 0.1217
203 P A 0.0000
204 S A -0.2837
205 P A -0.3141
206 C A 0.0000
207 R A -2.0876
208 N A -1.7578
209 G A -0.7927
210 G A -0.6765
211 T A -0.2787
212 C A -0.2123
213 R A -2.0450
214 Q A -1.5698
215 S A -0.5893
216 G A -0.8220
217 D A -1.6131
218 L A 1.1973
219 T A 0.2869
220 Y A 0.1654
221 D A -0.6932
222 C A 0.0000
223 A A -0.1174
224 C A 0.1098
225 L A 0.1305
226 P A -0.2556
227 G A -0.0743
228 F A 0.0127
229 E A -1.6177
230 G A -0.9943
231 Q A -1.5245
232 N A -1.4797
233 C A -0.4655
234 E A -1.7376
235 V A 0.0146
236 N A 0.0000
237 V A 0.3457
238 D A -1.7707
239 D A -0.9298
240 C A 0.0000
241 P A -0.3445
242 G A -0.5566
243 H A -0.6507
244 R A -1.6313
245 Y A 1.2314
246 L A 1.3539
247 N A -1.0458
248 G A -0.5143
249 G A -0.1877
250 T A -0.0716
251 C A 0.4366
252 V A 1.6613
253 D A -0.0044
254 G A -0.1388
255 V A 0.5792
256 N A -0.5181
257 T A 0.0576
258 Y A 1.0646
259 N A -0.9866
260 C A -0.1470
261 Q A -0.6489
262 C A 0.4918
263 P A -0.1250
264 P A -0.2008
265 E A -0.1891
266 W A 0.6366
267 T A -0.0112
268 G A -0.7592
269 Q A -0.6241
270 F A 1.7931
271 C A 0.4598
272 T A 0.0000
273 E A -1.0391
274 D A -1.7153
275 V A -0.1475
276 D A -0.3466
277 E A -0.5213
278 C A 0.0000
279 Q A -0.7104
280 L A 0.2123
281 Q A -0.4943
282 P A -0.4391
283 N A -0.3021
284 A A -0.0016
285 C A 0.0000
286 H A -0.6131
287 N A -1.3791
288 G A -0.4283
289 G A 0.0000
290 T A 0.0000
291 C A 0.0000
292 F A 0.5589
293 N A -0.2251
294 T A 0.1960
295 L A 1.4520
296 G A -0.1944
297 G A -0.3870
298 H A -1.0375
299 S A -0.2020
300 C A 0.0649
301 V A 0.0000
302 C A 0.0000
303 V A 0.0000
304 N A -0.1660
305 G A 0.0000
306 W A 0.0000
307 T A 0.0000
308 G A -0.4161
309 E A -1.8737
310 S A -0.5669
311 C A 0.0000
312 S A -0.1428
313 Q A -0.1922
314 N A 0.0000
315 I A 0.0000
316 D A 0.0000
317 D A 0.0000
318 C A 0.0000
319 A A 0.0500
320 T A -0.0329
321 A A 0.0000
322 V A 0.0000
323 C A 0.0000
324 F A 1.0998
325 H A 0.0108
326 G A -0.4787
327 A A -0.0465
328 T A 0.0014
329 C A 0.0000
330 H A -0.5192
331 D A -0.5645
332 R A -1.1531
333 V A -0.0282
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.6381
338 C A 0.0000
339 A A 0.0356
340 C A 0.0812
341 P A -0.0327
342 M A 0.2078
343 G A 0.0000
344 K A 0.0000
345 T A 0.0000
346 G A -0.0323
347 L A 0.1484
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.4285
352 D A -0.2911
353 D A -0.3243
354 A A 0.0000
355 C A 0.0000
356 V A 0.0000
357 S A -0.3061
358 N A -0.9021
359 P A -0.3280
360 C A 0.0000
361 H A -1.0574
362 E A -0.8658
363 D A -1.7498
364 A A 0.0000
365 I A 0.2928
366 C A 0.0000
367 D A -0.3862
368 T A -0.0801
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A 0.0000
373 G A 0.0000
374 R A 0.0000
375 A A 0.0067
376 I A 0.0000
377 C A 0.0000
378 T A -0.0085
379 C A 0.0000
380 P A 0.0000
381 P A -0.2753
382 G A -0.1242
383 F A 0.0000
384 T A -0.0272
385 G A -0.0969
386 G A -0.0687
387 A A 0.0000
388 C A -0.1593
389 D A -1.8680
390 Q A -1.0175
391 D A -0.3185
392 V A 0.0000
393 D A 0.0000
394 E A -0.1919
395 C A 0.0335
396 S A 0.0000
397 I A 0.0000
398 G A 0.0000
399 A A -0.2264
400 N A -1.2800
401 P A -0.3027
402 C A 0.0000
403 E A -1.3715
404 H A -0.2955
405 L A 0.1535
406 G A 0.0000
407 R A 0.0000
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A -0.2419
412 Q A -1.2894
413 G A -0.7306
414 S A -0.2598
415 F A 0.1537
416 L A 0.0000
417 C A 0.0000
418 Q A -0.4249
419 C A 0.0000
420 G A -0.4663
421 R A 0.0000
422 G A 0.0461
423 Y A 0.7310
424 T A 0.0752
425 G A 0.0000
426 P A -0.6026
427 R A -1.8921
428 C A 0.0000
429 E A -0.9245
430 T A 0.0000
431 D A -0.1980
432 V A 0.0000
433 N A -0.8970
434 E A -0.4987
435 C A 0.0711
436 L A 0.2754
437 S A -0.1798
438 G A -0.3973
439 P A -0.1400
440 C A 0.0000
441 R A -0.7925
442 N A -1.4097
443 Q A -0.4832
444 A A 0.0000
445 T A 0.0000
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -0.7127
450 I A 0.4268
451 G A -0.3778
452 Q A -0.3821
453 F A 0.0000
454 T A -0.0166
455 C A 0.0000
456 I A 0.3255
457 C A 0.3491
458 M A 1.0733
459 A A 0.1256
460 G A -0.1218
461 F A 1.2601
462 T A 0.2013
463 G A -0.1439
464 T A 0.1845
465 Y A 1.3057
466 C A 0.0000
467 E A -1.7978
468 V A -0.3164
469 D A -1.5975
470 I A 0.1003
471 D A -1.5931
472 E A -0.8908
473 C A -0.2271
474 Q A -1.2129
475 S A -0.4457
476 S A -0.1147
477 P A -0.1240
478 C A 0.7588
479 V A 0.3584
480 N A -0.6923
481 G A -0.6792
482 G A -0.4834
483 V A 0.2977
484 C A -0.0717
485 K A -1.8415
486 D A -1.5137
487 R A -1.8115
488 V A 1.1772
489 N A -1.1534
490 G A -0.3919
491 F A 1.1813
492 S A 0.1779
493 C A 0.1576
494 T A 0.0418
495 C A 0.3611
496 P A -0.1964
497 S A -0.0818
498 G A -0.1143
499 F A 1.2992
500 S A 0.0705
501 G A -0.2524
502 S A -0.2819
503 T A -0.0114
504 C A 0.5386
505 Q A -0.2607
506 L A 0.8981
507 D A -1.3093
508 V A -0.1173
509 D A -1.6674
510 E A -1.9829
511 C A 0.0000
512 A A 0.0182
513 S A -0.2038
514 T A -0.0933
515 P A -0.3687
516 C A 0.1555
517 R A 0.0000
518 N A -1.3610
519 G A -0.7042
520 A A -0.3963
521 K A -1.6551
522 C A -0.0094
523 V A 0.4160
524 D A -0.9736
525 Q A -1.2623
526 P A -0.7837
527 D A -1.8522
528 G A -0.3965
529 Y A 0.3693
530 E A -1.6792
531 C A 0.0000
532 R A -1.8310
533 C A -0.2620
534 A A -0.1276
535 E A -0.8536
536 G A 0.0905
537 F A 1.4288
538 E A -1.4400
539 G A -0.8018
540 T A 0.1341
541 L A 1.5342
542 C A 0.0000
543 D A -1.7567
544 R A -0.8218
545 N A -1.1572
546 V A 0.0888
547 D A -1.9967
548 D A -1.9975
549 C A 0.3454
550 S A -0.0494
551 P A -0.4791
552 D A -1.8194
553 P A -0.3525
554 C A -0.0418
555 H A -1.1494
556 H A -1.2141
557 G A -0.7062
558 R A -1.7347
559 C A 0.6964
560 V A 1.4758
561 D A -1.5617
562 G A -0.4268
563 I A 1.9371
564 A A 0.4267
565 S A 0.0579
566 F A 0.3926
567 S A 0.0313
568 C A 0.0000
569 A A 0.0396
570 C A 0.0681
571 A A 0.0513
572 P A -0.1252
573 G A -0.0586
574 Y A 0.1556
575 T A 0.0390
576 G A 0.0000
577 T A -0.4029
578 R A -1.8527
579 C A 0.0000
580 E A -1.8498
581 S A -0.7368
582 Q A -1.0023
583 V A 0.3197
584 D A -1.7470
585 E A -0.8873
586 C A 0.1558
587 R A -1.7472
588 S A -0.6447
589 Q A -0.9509
590 P A -0.4027
591 C A -0.3109
592 R A -1.9239
593 H A -0.9620
594 G A -0.5878
595 G A -0.5481
596 K A -1.3867
597 C A 0.1872
598 L A 1.0913
599 D A -1.0245
600 L A 0.3995
601 V A 1.7234
602 D A -0.3794
603 K A -1.6691
604 Y A 0.0411
605 L A 0.9235
606 C A 0.0000
607 R A 0.0000
608 C A 0.1882
609 P A -0.2193
610 S A -0.1949
611 G A -0.4809
612 T A -0.1494
613 T A -0.1540
614 G A -0.2635
615 V A 0.8491
616 N A -0.9747
617 C A 0.3512
618 E A 0.0000
619 V A 0.8762
620 N A 0.4023
621 I A 1.6407
622 D A -1.5351
623 D A -0.9589
624 C A 0.2172
625 A A -0.1117
626 S A -0.4476
627 N A -1.3288
628 P A -0.4445
629 C A 0.1966
630 T A 0.3612
631 F A 1.9105
632 G A 0.5283
633 V A 1.1382
634 C A 0.0000
635 R A -1.9890
636 D A -0.6602
637 G A -0.4228
638 I A 0.6478
639 N A -1.0022
640 R A -1.7842
641 Y A 0.7282
642 D A -0.7978
643 C A 0.0474
644 V A 0.5845
645 C A 0.1253
646 Q A -0.3065
647 P A -0.3198
648 G A 0.0612
649 F A 0.7015
650 T A 0.0624
651 G A -0.5507
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2287 L A 1.5238
2288 P A 0.1258
2289 A A -0.0364
2290 Q A -0.3443
2291 P A -0.1501
2292 L A 0.0000
2293 P A -0.2077
2294 L A 0.1617
2295 S A 0.0379
2296 V A 1.0008
2297 P A 0.1454
2298 S A -0.2178
2299 S A 0.0000
2300 L A 0.7291
2301 A A 0.0630
2302 Q A 0.0000
2303 A A -0.1024
2304 Q A -0.1496
2305 T A -0.3393
2306 Q A -1.0735
2307 L A 0.4999
2308 G A 0.0027
2309 P A 0.0000
2310 Q A -1.2026
2311 P A -0.4793
2312 E A -0.9582
2313 V A 0.0000
2314 T A -0.0284
2315 P A -0.4125
2316 K A -2.0785
2317 R A -2.3567
2318 Q A -0.9468
2319 V A 1.7557
2320 L A 1.1799
2321 A A 0.2152
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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, -0.2221 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 -0.2221 View CSV PDB
model_11 -0.2268 View CSV PDB
model_4 -0.2287 View CSV PDB
model_5 -0.2306 View CSV PDB
model_0 -0.2309 View CSV PDB
model_8 -0.2327 View CSV PDB
CABS_average -0.2359 View CSV PDB
model_1 -0.2387 View CSV PDB
model_2 -0.2388 View CSV PDB
model_7 -0.2407 View CSV PDB
model_9 -0.2455 View CSV PDB
model_6 -0.2462 View CSV PDB
model_10 -0.2494 View CSV PDB
input -0.2763 View CSV PDB