Project name: C278Y_5_4D_D

Status: done

Started: 2026-06-01 07:16:05
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDEYQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:20:51)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (15:03:04)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (15:03:48)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (15:04:33)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (15:05:18)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (15:06:02)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (15:06:47)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (15:07:31)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (15:08:16)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (15:09:00)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (15:09:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (15:10:27)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (15:11:11)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (15:11:54)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (15:13:20)
[INFO]       Main:     Simulation completed successfully.                                          (15:14:03)
Show buried residues

Minimal score value
-2.3982
Maximal score value
2.0715
Average score
-0.198
Total score value
-459.602

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 1.0174
2 G A -0.0521
3 P A -0.3238
4 G A -0.3421
5 A A -0.3268
6 R A -1.9238
7 G A -1.1839
8 R A -2.2932
9 R A -2.2798
10 R A -1.1245
11 R A -2.2846
12 R A -2.2037
13 R A 0.0000
14 P A -0.2323
15 M A 0.0366
16 S A -0.1946
17 P A -0.0859
18 P A -0.1308
19 P A -0.1999
20 P A -0.2881
21 P A -0.2056
22 P A -0.3438
23 P A -0.0130
24 V A 1.3741
25 R A -1.5025
26 A A -0.2242
27 L A 0.7544
28 P A -0.0573
29 L A 0.5272
30 L A 1.7144
31 L A 0.7926
32 L A 1.2373
33 L A 1.7220
34 A A 0.1444
35 G A -0.5133
36 P A -0.4357
37 G A -0.5034
38 A A -0.0210
39 A A 0.0751
40 A A -0.0089
41 P A -0.1905
42 P A -0.2123
43 C A 0.4733
44 L A 0.6901
45 D A -1.6954
46 G A -0.8067
47 S A -0.1315
48 P A -0.0729
49 C A 0.0000
50 A A -0.3520
51 N A -1.3578
52 G A -0.7057
53 G A 0.0000
54 R A -0.9247
55 C A 0.0000
56 T A -0.2105
57 Q A -1.1358
58 L A 0.0553
59 P A -0.2316
60 S A -0.6091
61 R A -2.2285
62 E A -2.1637
63 A A -0.4607
64 A A 0.1574
65 C A 0.8954
66 L A 1.0307
67 C A 0.2768
68 P A -0.2560
69 P A -0.3639
70 G A -0.4892
71 W A 0.0000
72 V A 0.2770
73 G A -0.5528
74 E A -2.1501
75 R A -1.8481
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0000
79 E A -0.7201
80 D A -1.3185
81 P A -0.2936
82 C A 0.5038
83 H A -0.8913
84 S A -0.3864
85 G A -0.1577
86 P A 0.0164
87 C A 0.7128
88 A A 0.1506
89 G A -0.4189
90 R A -1.9424
91 G A -0.4652
92 V A 1.7643
93 C A 0.7832
94 Q A -1.0978
95 S A -0.3523
96 S A -0.2092
97 V A 0.7280
98 V A 1.8603
99 A A 0.3646
100 G A -0.1411
101 T A -0.0598
102 A A 0.0000
103 R A -1.7921
104 F A -0.0900
105 S A -0.1697
106 C A 0.0000
107 R A -1.6530
108 C A 0.0000
109 P A -0.5973
110 R A -1.9556
111 G A -0.7704
112 F A -0.4263
113 R A -1.8195
114 G A -0.4866
115 P A -0.6105
116 D A -1.8399
117 C A 0.0000
118 S A -0.0148
119 L A 0.3022
120 P A -0.0673
121 D A -0.3397
122 P A -0.1224
123 C A 0.2894
124 L A 1.0655
125 S A -0.0130
126 S A -0.1563
127 P A -0.1126
128 C A 0.0377
129 A A 0.0462
130 H A -0.1822
131 G A -0.4820
132 A A -0.4218
133 R A -1.8029
134 C A -0.1599
135 S A 0.1107
136 V A 0.2337
137 G A -0.0510
138 P A -0.6525
139 D A -1.9247
140 G A -1.1776
141 R A -1.7973
142 F A 0.5600
143 L A 1.0604
144 C A 0.2959
145 S A -0.0784
146 C A 0.1332
147 P A -0.2534
148 P A -0.3304
149 G A 0.1229
150 Y A -0.0772
151 Q A -0.2457
152 G A -0.8512
153 R A -1.8823
154 S A -0.4214
155 C A 0.1432
156 R A -1.5407
157 S A -0.5967
158 D A -0.6541
159 V A 1.1235
160 D A -0.8487
161 E A -0.4840
162 C A -0.2434
163 R A -1.4772
164 V A 1.3576
165 G A -0.1099
166 E A -0.7128
167 P A -0.3742
168 C A 0.0000
169 R A -2.0792
170 H A -1.4802
171 G A -0.7440
172 G A -0.8492
173 T A 0.0000
174 C A 0.4623
175 L A 0.6441
176 N A -0.7754
177 T A -0.2507
178 P A -0.3465
179 G A -0.5276
180 S A -0.0871
181 F A 0.0423
182 R A -1.7507
183 C A -0.4233
184 Q A -1.1639
185 C A -0.1938
186 P A -0.1808
187 A A -0.0161
188 G A -0.1227
189 Y A 0.2678
190 T A -0.2667
191 G A -0.1177
192 P A 0.1891
193 L A 1.5323
194 C A 0.0000
195 E A -1.8866
196 N A -0.7295
197 P A -0.3095
198 A A 0.2456
199 V A 1.0057
200 P A 0.0524
201 C A 0.4924
202 A A 0.0591
203 P A -0.2919
204 S A -0.2667
205 P A -0.0598
206 C A 0.0493
207 R A -0.2770
208 N A -0.5808
209 G A -0.5535
210 G A 0.0000
211 T A -0.0397
212 C A -0.1857
213 R A -2.0508
214 Q A -1.5632
215 S A -0.3984
216 G A -0.7117
217 D A -0.9804
218 L A 1.3135
219 T A 0.4708
220 Y A 1.0555
221 D A -1.0288
222 C A -0.1358
223 A A 0.0712
224 C A 0.2082
225 L A 0.4463
226 P A 0.0513
227 G A 0.1650
228 F A 1.6060
229 E A -1.0015
230 G A -0.9480
231 Q A -1.4922
232 N A -1.4394
233 C A -0.2578
234 E A -0.9357
235 V A 0.1043
236 N A 0.4150
237 V A 1.0737
238 D A -0.4187
239 D A -1.4922
240 C A -0.2101
241 P A -0.3206
242 G A -0.7022
243 H A -1.3407
244 R A -1.5320
245 C A 0.1130
246 L A 1.3668
247 N A -0.8497
248 G A -0.7042
249 G A -0.2974
250 T A -0.0905
251 C A 0.2647
252 V A 0.5155
253 D A -1.3190
254 G A -0.0538
255 V A 1.5513
256 N A -0.7513
257 T A 0.0036
258 Y A 1.0607
259 N A -0.8972
260 C A -0.3252
261 Q A -1.1754
262 C A 0.0000
263 P A -0.1342
264 P A -0.3931
265 E A -0.4592
266 W A 1.0337
267 T A 0.1160
268 G A -0.5864
269 Q A -0.3427
270 F A 1.8222
271 C A 0.0000
272 T A 0.0000
273 E A 0.0000
274 D A -1.3790
275 V A 0.0000
276 D A -1.1577
277 E A -0.6077
278 Y A -0.0391
279 Q A -0.9218
280 L A 1.2423
281 Q A -0.3762
282 P A -0.4212
283 N A -0.3979
284 A A -0.0118
285 C A 0.0000
286 H A -1.0373
287 N A -0.4510
288 G A -0.1311
289 G A -0.1082
290 T A 0.0000
291 C A 0.1262
292 F A 0.0000
293 N A 0.0000
294 T A 0.0000
295 L A 0.8964
296 G A -0.3086
297 G A -0.4177
298 H A -1.0209
299 S A -0.1595
300 C A 0.2707
301 V A 0.0000
302 C A 0.0000
303 V A 0.3541
304 N A -0.2871
305 G A -0.2349
306 W A 0.8080
307 T A 0.0280
308 G A -0.8192
309 E A -1.9393
310 S A -0.4883
311 C A 0.0778
312 S A 0.0000
313 Q A -0.3849
314 N A 0.0000
315 I A 0.8544
316 D A -0.8111
317 D A -0.7008
318 C A 0.1530
319 A A 0.0876
320 T A -0.0297
321 A A 0.0000
322 V A 0.9277
323 C A 0.7973
324 F A 1.7977
325 H A -0.7006
326 G A -0.6493
327 A A -0.0893
328 T A -0.0380
329 C A -0.0363
330 H A -1.0889
331 D A -1.3124
332 R A -1.9733
333 V A 0.0000
334 A A 0.0173
335 S A -0.1640
336 F A 0.3261
337 Y A 0.8882
338 C A 0.0000
339 A A 0.0187
340 C A 0.0000
341 P A -0.0678
342 M A 0.7719
343 G A 0.0000
344 K A -1.5581
345 T A 0.0000
346 G A -0.0627
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.0543
351 L A 1.4796
352 D A 0.0000
353 D A -1.7867
354 A A -0.3361
355 C A 0.0000
356 V A 0.0707
357 S A -0.3264
358 N A -0.8261
359 P A -0.0365
360 C A 0.0000
361 H A -0.2755
362 E A -1.0387
363 D A -1.9138
364 A A -0.0324
365 I A 1.6770
366 C A 0.3074
367 D A -0.4653
368 T A 0.0000
369 N A -0.1517
370 P A -0.0331
371 V A 0.2502
372 N A -0.3625
373 G A -0.5302
374 R A 0.0000
375 A A 0.0000
376 I A 0.1972
377 C A 0.0000
378 T A -0.0819
379 C A 0.0000
380 P A 0.0000
381 P A -0.2733
382 G A -0.1326
383 F A 0.2346
384 T A 0.0000
385 G A -0.5558
386 G A -0.5585
387 A A 0.0000
388 C A 0.0000
389 D A -0.3190
390 Q A -0.3387
391 D A -0.4491
392 V A 0.0000
393 D A -0.4765
394 E A -1.2233
395 C A -0.1492
396 S A -0.0650
397 I A 0.5439
398 G A -0.3266
399 A A -0.0992
400 N A -0.3934
401 P A -0.2519
402 C A 0.0000
403 E A -1.9091
404 H A -0.5139
405 L A 1.4612
406 G A 0.0000
407 R A -0.5619
408 C A 0.0319
409 V A 0.2688
410 N A 0.0000
411 T A -0.1993
412 Q A -1.0217
413 G A -0.5397
414 S A 0.0813
415 F A 1.6539
416 L A 1.3433
417 C A 0.0000
418 Q A -0.1458
419 C A -0.0217
420 G A -0.3806
421 R A -1.8526
422 G A 0.0000
423 Y A 0.1579
424 T A 0.0000
425 G A -0.1368
426 P A -0.5230
427 R A -1.8729
428 C A 0.0000
429 E A -0.2596
430 T A -0.1609
431 D A -0.5060
432 V A 0.0000
433 N A 0.0000
434 E A -0.5100
435 C A 0.0000
436 L A 1.5398
437 S A 0.1581
438 G A -0.4843
439 P A -0.1246
440 C A 0.0805
441 R A 0.0000
442 N A -1.3623
443 Q A -0.7150
444 A A 0.0000
445 T A -0.0472
446 C A 0.0000
447 L A 0.7121
448 D A 0.0000
449 R A -1.1597
450 I A 0.5423
451 G A -0.4314
452 Q A -0.6608
453 F A 0.5558
454 T A 0.1094
455 C A 0.5565
456 I A 2.0715
457 C A 0.5638
458 M A 0.3526
459 A A 0.1004
460 G A 0.2093
461 F A 1.4786
462 T A 0.1604
463 G A -0.5056
464 T A -0.0522
465 Y A 0.4890
466 C A 0.0000
467 E A -0.1771
468 V A 0.0684
469 D A 0.0000
470 I A 1.6242
471 D A -0.9809
472 E A -1.3607
473 C A 0.0000
474 Q A -1.2388
475 S A -0.4452
476 S A -0.1166
477 P A -0.2597
478 C A 0.0000
479 V A 1.6553
480 N A -0.3693
481 G A -0.5852
482 G A 0.0000
483 V A 0.5115
484 C A 0.2158
485 K A -0.7496
486 D A -0.8083
487 R A -0.3214
488 V A 0.3282
489 N A -0.2553
490 G A 0.1343
491 F A 1.3566
492 S A 0.0000
493 C A 0.0000
494 T A 0.0000
495 C A 0.0000
496 P A 0.0000
497 S A -0.1723
498 G A -0.4208
499 F A 0.2380
500 S A 0.0261
501 G A 0.0000
502 S A -0.0944
503 T A -0.0419
504 C A 0.0000
505 Q A -1.1067
506 L A -0.1296
507 D A -1.6151
508 V A -0.2323
509 D A -2.0214
510 E A -1.7731
511 C A 0.2288
512 A A 0.1191
513 S A -0.1779
514 T A -0.1153
515 P A -0.1908
516 C A 0.3694
517 R A -1.7616
518 N A -0.6964
519 G A -0.5130
520 A A -0.3850
521 K A -1.6309
522 C A 0.2196
523 V A 0.6001
524 D A -1.8468
525 Q A -1.5989
526 P A -1.0218
527 D A -1.8520
528 G A -0.5289
529 Y A 0.0162
530 E A -0.8549
531 C A -0.3092
532 R A -1.7861
533 C A -0.2103
534 A A -0.0222
535 E A -0.6192
536 G A -0.3622
537 F A 1.1090
538 E A -0.9435
539 G A -0.6167
540 T A 0.2069
541 L A 1.6722
542 C A 0.9674
543 D A 0.0000
544 R A -0.2849
545 N A -0.6960
546 V A 0.3824
547 D A -1.9031
548 D A -2.1117
549 C A 0.0000
550 S A -0.2203
551 P A -0.4211
552 D A -1.8214
553 P A -0.4713
554 C A 0.0000
555 H A -1.1888
556 H A -1.2001
557 G A -0.7617
558 R A -1.8208
559 C A 0.2315
560 V A 1.7049
561 D A -0.2563
562 G A 0.0000
563 I A 0.5875
564 A A 0.1272
565 S A -0.0008
566 F A 1.0281
567 S A 0.1412
568 C A 0.1075
569 A A -0.1445
570 C A 0.0000
571 A A 0.0102
572 P A -0.2769
573 G A 0.0361
574 Y A 1.2789
575 T A 0.1355
576 G A -0.4817
577 T A -0.3781
578 R A -1.1966
579 C A 0.0000
580 E A -1.8307
581 S A -0.6507
582 Q A -1.0995
583 V A 0.0147
584 D A -1.8199
585 E A -0.9256
586 C A 0.2234
587 R A -1.7572
588 S A -0.4938
589 Q A -0.5520
590 P A -0.2780
591 C A -0.3088
592 R A -1.9775
593 H A -0.9904
594 G A -0.8310
595 G A -0.7652
596 K A -1.8290
597 C A 0.5639
598 L A 0.9104
599 D A -0.2363
600 L A 1.6581
601 V A 1.7074
602 D A -1.6456
603 K A -1.3797
604 Y A 0.0000
605 L A 0.3745
606 C A 0.0000
607 R A -2.0248
608 C A 0.0000
609 P A 0.0000
610 S A -0.3005
611 G A -0.5063
612 T A 0.0000
613 T A -0.0636
614 G A -0.1587
615 V A 0.2285
616 N A -1.1235
617 C A -0.3341
618 E A -1.7189
619 V A -0.2941
620 N A -0.9768
621 I A 0.6911
622 D A -1.5935
623 D A -0.4466
624 C A 0.5894
625 A A 0.1657
626 S A -0.1990
627 N A -0.4573
628 P A -0.3284
629 C A 0.0000
630 T A 0.2121
631 F A 1.4549
632 G A 0.5520
633 V A 1.7792
634 C A 0.1454
635 R A -1.9320
636 D A -0.8745
637 G A -0.1707
638 I A 0.0000
639 N A -0.9851
640 R A -1.8347
641 Y A 0.1394
642 D A -0.8755
643 C A 0.1334
644 V A 1.0279
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2281 A A 0.0000
2282 T A -0.0123
2283 T A 0.0000
2284 T A -0.0903
2285 G A -0.2773
2286 A A 0.3129
2287 L A 1.5178
2288 P A 0.1172
2289 A A -0.0032
2290 Q A -0.1564
2291 P A -0.1689
2292 L A 0.5049
2293 P A -0.1087
2294 L A 0.0000
2295 S A -0.0412
2296 V A 0.0000
2297 P A -0.2628
2298 S A -0.1268
2299 S A 0.0356
2300 L A 1.2651
2301 A A 0.0000
2302 Q A -1.1983
2303 A A 0.0000
2304 Q A -1.1443
2305 T A -0.4734
2306 Q A -1.1441
2307 L A 0.0462
2308 G A -0.2188
2309 P A -0.4030
2310 Q A -0.8647
2311 P A -0.6154
2312 E A -1.8423
2313 V A 0.0018
2314 T A -0.0487
2315 P A -0.5909
2316 K A -2.1017
2317 R A -2.3982
2318 Q A -1.3308
2319 V A 0.9511
2320 L A 0.0000
2321 A A 0.0549
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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, -0.198 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 -0.198 View CSV PDB
model_0 -0.2062 View CSV PDB
model_6 -0.21 View CSV PDB
model_3 -0.213 View CSV PDB
model_4 -0.215 View CSV PDB
model_5 -0.2151 View CSV PDB
model_8 -0.2163 View CSV PDB
model_9 -0.2177 View CSV PDB
model_2 -0.2185 View CSV PDB
CABS_average -0.219 View CSV PDB
model_7 -0.2256 View CSV PDB
model_10 -0.2342 View CSV PDB
model_11 -0.2584 View CSV PDB
input -0.277 View CSV PDB