Project name: C134R_5_4D

Status: done

Started: 2026-05-18 05:13:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARRSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:51)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:45:43)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:46:51)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:48:06)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:49:21)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:50:38)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:51:54)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:53:11)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:54:26)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:55:35)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:56:51)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (18:58:04)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (18:59:18)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:00:28)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:02:49)
[INFO]       Main:     Simulation completed successfully.                                          (19:04:16)
Show buried residues

Minimal score value
-2.304
Maximal score value
1.9349
Average score
-0.2014
Total score value
-467.3592

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 0.9641
2 G A -0.2920
3 P A -0.3198
4 G A -0.4820
5 A A -0.1263
6 R A -0.5951
7 G A -0.9131
8 R A -2.0144
9 R A -1.1347
10 R A -1.9873
11 R A -1.0330
12 R A -1.9419
13 R A -0.5568
14 P A 0.0816
15 M A 1.0376
16 S A 0.0000
17 P A 0.0000
18 P A 0.0000
19 P A -0.1285
20 P A -0.3367
21 P A -0.3674
22 P A -0.3336
23 P A 0.1084
24 V A 1.6644
25 R A -0.0585
26 A A 0.0902
27 L A 0.7074
28 P A -0.0677
29 L A 0.3147
30 L A 0.8673
31 L A 0.0000
32 L A 1.4976
33 L A 1.1095
34 A A 0.1922
35 G A -0.1853
36 P A -0.3238
37 G A -0.2464
38 A A 0.0192
39 A A 0.0299
40 A A 0.0487
41 P A -0.0754
42 P A -0.2617
43 C A 0.0000
44 L A 0.1493
45 D A -1.7826
46 G A -0.8243
47 S A -0.2333
48 P A -0.2736
49 C A 0.0000
50 A A -0.1551
51 N A -0.9160
52 G A -0.5500
53 G A -0.5231
54 R A 0.0000
55 C A 0.0932
56 T A -0.1690
57 Q A -0.8158
58 L A -0.0051
59 P A -0.1723
60 S A -0.6038
61 R A -2.2322
62 E A -2.1699
63 A A -0.4222
64 A A 0.0076
65 C A 0.0000
66 L A 1.2525
67 C A 0.0000
68 P A -0.2951
69 P A -0.2695
70 G A -0.0351
71 W A 0.0202
72 V A 0.0000
73 G A -0.3759
74 E A -0.9847
75 R A -0.4938
76 C A 0.0000
77 Q A -1.0973
78 L A 0.0166
79 E A -1.3164
80 D A 0.0000
81 P A -0.0840
82 C A 0.0000
83 H A -1.0300
84 S A -0.4404
85 G A -0.3141
86 P A -0.2243
87 C A 0.3497
88 A A 0.0442
89 G A -0.8142
90 R A -2.0093
91 G A -0.7103
92 V A 0.4358
93 C A 0.7086
94 Q A -0.5329
95 S A -0.1830
96 S A -0.2614
97 V A 0.0000
98 V A 0.6860
99 A A 0.1031
100 G A -0.4617
101 T A -0.1139
102 A A -0.2827
103 R A -1.5110
104 F A 0.5587
105 S A 0.0000
106 C A 0.0000
107 R A -1.3122
108 C A -0.4247
109 P A -0.5351
110 R A -1.7326
111 G A -0.2562
112 F A 1.2243
113 R A -0.8653
114 G A 0.0000
115 P A -0.5901
116 D A -1.7486
117 C A 0.0757
118 S A 0.0197
119 L A 0.8489
120 P A 0.1766
121 D A -0.3298
122 P A -0.0789
123 C A 0.3819
124 L A 1.5420
125 S A 0.1503
126 S A -0.1262
127 P A -0.2429
128 C A 0.0798
129 A A -0.0009
130 H A -0.5067
131 G A -0.5367
132 A A -0.3814
133 R A -2.0076
134 R A -1.2759
135 S A 0.1215
136 V A 0.9580
137 G A -0.0167
138 P A -0.6063
139 D A -1.9259
140 G A -0.8955
141 R A -0.3485
142 F A 1.2699
143 L A 1.6623
144 C A 0.0000
145 S A -0.0310
146 C A 0.0000
147 P A -0.1693
148 P A -0.2924
149 G A 0.1387
150 Y A 1.2340
151 Q A -0.1973
152 G A -0.8746
153 R A -2.1610
154 S A -0.5430
155 C A -0.4986
156 R A -2.0395
157 S A -0.8236
158 D A -1.7384
159 V A -0.1882
160 D A -0.8672
161 E A -0.4558
162 C A -0.0718
163 R A -0.3780
164 V A 1.5679
165 G A -0.3288
166 E A -1.2436
167 P A -0.4411
168 C A -0.3159
169 R A -2.0205
170 H A -1.4628
171 G A -0.6968
172 G A -0.4248
173 T A -0.0580
174 C A 0.4657
175 L A 0.7931
176 N A -1.0226
177 T A -0.2852
178 P A -0.2961
179 G A -0.2924
180 S A 0.1144
181 F A 1.5420
182 R A -1.4663
183 C A 0.0000
184 Q A -1.0084
185 C A -0.0470
186 P A -0.0321
187 A A -0.0055
188 G A -0.1562
189 Y A -0.0723
190 T A -0.1038
191 G A -0.3136
192 P A -0.0342
193 L A 1.5285
194 C A 0.2264
195 E A -0.9083
196 N A -0.6211
197 P A 0.0000
198 A A 0.2642
199 V A 1.1768
200 P A 0.3025
201 C A 0.7182
202 A A 0.0978
203 P A -0.2647
204 S A -0.1481
205 P A -0.1067
206 C A 0.1621
207 R A -1.0151
208 N A -1.5227
209 G A -0.7933
210 G A -0.5492
211 T A -0.0873
212 C A -0.0184
213 R A -2.0075
214 Q A -1.5470
215 S A -0.4335
216 G A -0.7648
217 D A -1.5190
218 L A 0.0000
219 T A 0.0335
220 Y A 0.0107
221 D A -0.5000
222 C A 0.0000
223 A A 0.1495
224 C A 0.7340
225 L A 0.0000
226 P A -0.3243
227 G A -0.1757
228 F A 1.5769
229 E A -1.5506
230 G A -1.0272
231 Q A -1.3283
232 N A -0.4384
233 C A -0.0101
234 E A -0.2379
235 V A 0.2575
236 N A -1.1454
237 V A 0.1718
238 D A -1.7721
239 D A -1.0347
240 C A 0.0000
241 P A -0.3435
242 G A -0.7141
243 H A -1.4008
244 R A -1.8061
245 C A -0.0862
246 L A 0.2415
247 N A -1.2750
248 G A -0.7444
249 G A -0.2735
250 T A -0.0600
251 C A 0.2433
252 V A 0.2148
253 D A -1.7420
254 G A -0.0949
255 V A 1.7273
256 N A -0.1507
257 T A 0.0637
258 Y A 1.0210
259 N A -0.3483
260 C A -0.2461
261 Q A -1.1636
262 C A -0.2136
263 P A -0.2446
264 P A -0.2076
265 E A -0.6708
266 W A 0.1278
267 T A 0.0000
268 G A -0.5360
269 Q A -0.8697
270 F A 1.7478
271 C A 0.5626
272 T A -0.3452
273 E A -1.9431
274 D A -0.9114
275 V A 0.3371
276 D A 0.0000
277 E A -0.4508
278 C A -0.1747
279 Q A -0.6398
280 L A 1.2200
281 Q A -0.4967
282 P A -0.2983
283 N A -0.1761
284 A A 0.0446
285 C A 0.1348
286 H A -0.4661
287 N A -1.3817
288 G A -0.7326
289 G A -0.2955
290 T A -0.0098
291 C A 0.2211
292 F A 0.4192
293 N A 0.0000
294 T A 0.0000
295 L A 1.1621
296 G A 0.0000
297 G A 0.0000
298 H A 0.0000
299 S A 0.0000
300 C A 0.0000
301 V A 0.3560
302 C A 0.2005
303 V A 0.1966
304 N A -0.8634
305 G A 0.0000
306 W A -0.0657
307 T A -0.0109
308 G A -0.1649
309 E A -0.3464
310 S A -0.0950
311 C A 0.0282
312 S A -0.4268
313 Q A -1.4830
314 N A -1.3634
315 I A 0.1849
316 D A -0.9742
317 D A 0.0000
318 C A 0.0789
319 A A 0.0813
320 T A -0.0218
321 A A 0.0000
322 V A 0.4543
323 C A 0.5232
324 F A 1.7661
325 H A -0.7077
326 G A -0.6248
327 A A -0.0248
328 T A 0.0000
329 C A 0.0000
330 H A -0.2739
331 D A -0.4243
332 R A -0.1245
333 V A 0.6509
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.2419
338 C A 0.0000
339 A A 0.0517
340 C A 0.1861
341 P A -0.1170
342 M A 0.3198
343 G A -0.4624
344 K A -0.5148
345 T A -0.1335
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.2255
351 L A 0.0000
352 D A 0.0000
353 D A 0.0000
354 A A 0.1565
355 C A 1.0733
356 V A 1.8977
357 S A 0.1690
358 N A -0.5774
359 P A -0.3535
360 C A 0.0000
361 H A -0.3847
362 E A -1.0591
363 D A -1.9120
364 A A -0.3199
365 I A 0.0000
366 C A 0.1151
367 D A 0.0000
368 T A -0.0070
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 -0.8232
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0743
380 P A 0.0000
381 P A -0.2237
382 G A -0.5390
383 F A 0.5455
384 T A -0.0087
385 G A -0.4334
386 G A -0.3733
387 A A -0.0519
388 C A 0.0000
389 D A 0.0000
390 Q A 0.0000
391 D A -1.5388
392 V A -0.2262
393 D A -1.9810
394 E A -1.7167
395 C A 0.0285
396 S A -0.0139
397 I A 0.2637
398 G A -0.0953
399 A A 0.0240
400 N A 0.0000
401 P A -0.2315
402 C A -0.2579
403 E A -1.9382
404 H A -0.8059
405 L A 1.3150
406 G A -0.3037
407 R A -0.6434
408 C A 0.6144
409 V A 0.0000
410 N A -0.8707
411 T A 0.0000
412 Q A 0.0000
413 G A -0.0605
414 S A 0.0000
415 F A 0.5800
416 L A 0.0000
417 C A 0.1995
418 Q A 0.0000
419 C A 0.0000
420 G A -0.0797
421 R A 0.0000
422 G A -0.0836
423 Y A 0.0000
424 T A -0.0876
425 G A -0.1514
426 P A -0.6169
427 R A -1.8917
428 C A 0.0000
429 E A -0.2646
430 T A 0.0000
431 D A -0.2844
432 V A 0.0000
433 N A -0.2973
434 E A -0.2629
435 C A 0.0000
436 L A 0.8048
437 S A 0.1336
438 G A 0.0000
439 P A 0.0000
440 C A 0.0000
441 R A -0.6577
442 N A -1.5213
443 Q A -1.1411
444 A A -0.1660
445 T A -0.0088
446 C A 0.0000
447 L A 0.1886
448 D A 0.0000
449 R A -1.5624
450 I A 1.3901
451 G A 0.1336
452 Q A -0.6689
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 0.0000
459 A A 0.0369
460 G A -0.0146
461 F A 0.3195
462 T A 0.0508
463 G A 0.0000
464 T A 0.0481
465 Y A 0.6380
466 C A 0.0000
467 E A -0.0501
468 V A 0.6602
469 D A -0.3760
470 I A 1.4853
471 D A -1.4826
472 E A -0.6140
473 C A 0.4341
474 Q A -1.0765
475 S A -0.4347
476 S A -0.1180
477 P A -0.2274
478 C A 0.0000
479 V A 1.6387
480 N A 0.0346
481 G A -0.2275
482 G A -0.1315
483 V A 0.8907
484 C A 0.0926
485 K A -1.6081
486 D A -1.3117
487 R A -1.6382
488 V A 1.1788
489 N A -0.9563
490 G A -0.5261
491 F A 0.0000
492 S A -0.0493
493 C A 0.0798
494 T A -0.0170
495 C A 0.0000
496 P A -0.2549
497 S A 0.0000
498 G A -0.0382
499 F A 1.8886
500 S A 0.2329
501 G A -0.4045
502 S A -0.2862
503 T A -0.1205
504 C A 0.0000
505 Q A -0.7703
506 L A -0.2766
507 D A -1.2735
508 V A 0.6316
509 D A -0.6335
510 E A -0.8599
511 C A 0.0000
512 A A 0.0183
513 S A -0.2034
514 T A -0.0959
515 P A -0.2191
516 C A -0.2973
517 R A -2.0071
518 N A -1.4763
519 G A -0.6567
520 A A -0.3562
521 K A -1.6482
522 C A 0.0466
523 V A 0.8047
524 D A -0.3622
525 Q A -1.3442
526 P A -0.6123
527 D A 0.0000
528 G A -0.1356
529 Y A 1.0776
530 E A -0.3219
531 C A 0.0000
532 R A -1.7650
533 C A -0.2670
534 A A 0.0000
535 E A -1.5455
536 G A -0.2199
537 F A 1.3144
538 E A -1.4847
539 G A -0.7573
540 T A 0.2288
541 L A 1.5207
542 C A 0.4388
543 D A -1.5029
544 R A -0.6339
545 N A -0.2933
546 V A 1.2640
547 D A -1.4022
548 D A -1.9148
549 C A 0.3651
550 S A -0.0758
551 P A -0.4642
552 D A -1.0258
553 P A -0.3364
554 C A 0.3475
555 H A -0.6290
556 H A -1.1840
557 G A -0.9832
558 R A -1.8863
559 C A 0.0048
560 V A 0.2164
561 D A -1.6609
562 G A -0.4068
563 I A 1.9265
564 A A 0.3540
565 S A -0.2105
566 F A 0.0000
567 S A -0.0310
568 C A 0.0000
569 A A 0.0549
570 C A 0.1755
571 A A 0.0569
572 P A -0.2479
573 G A 0.0000
574 Y A 0.2680
575 T A -0.0188
576 G A -0.1879
577 T A -0.4276
578 R A -1.7802
579 C A -0.0961
580 E A -0.8154
581 S A -0.4184
582 Q A -0.1535
583 V A 1.5355
584 D A -0.5148
585 E A -0.7897
586 C A 0.0000
587 R A -1.8842
588 S A -0.7100
589 Q A -0.8842
590 P A -0.3940
591 C A -0.3217
592 R A -2.0215
593 H A -1.4547
594 G A -0.6768
595 G A -0.6492
596 K A -1.7010
597 C A -0.0593
598 L A 0.6970
599 D A -0.3191
600 L A 1.1070
601 V A 1.6334
602 D A -1.2613
603 K A -0.2367
604 Y A 0.3728
605 L A 1.1641
606 C A 0.0281
607 R A -1.8129
608 C A 0.0000
609 P A -0.2750
610 S A -0.2432
611 G A -0.4890
612 T A -0.1435
613 T A -0.1342
614 G A -0.1402
615 V A 1.4348
616 N A -0.9250
617 C A 0.0315
618 E A 0.3825
619 V A 1.7092
620 N A 0.4625
621 I A 1.5705
622 D A 0.0000
623 D A -0.7979
624 C A 0.0000
625 A A -0.1169
626 S A -0.4401
627 N A -1.3562
628 P A -0.4541
629 C A 0.1980
630 T A 0.3507
631 F A 1.9131
632 G A 0.3985
633 V A 0.3880
634 C A -0.0182
635 R A -1.9976
636 D A -1.5741
637 G A -0.2832
638 I A 1.8605
639 N A -1.1845
640 R A -1.8226
641 Y A 0.8468
642 D A -0.2976
643 C A 0.2137
644 V A 0.5745
645 C A 0.1110
646 Q A -0.9267
647 P A -0.6046
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1995 F A 0.1187
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2285 G A -0.1937
2286 A A 0.2784
2287 L A 1.5043
2288 P A 0.0447
2289 A A -0.1696
2290 Q A -0.8598
2291 P A 0.0293
2292 L A 1.1190
2293 P A 0.1094
2294 L A 0.6274
2295 S A -0.0688
2296 V A 0.0000
2297 P A -0.0674
2298 S A -0.1446
2299 S A -0.1604
2300 L A 0.0000
2301 A A 0.0585
2302 Q A 0.0000
2303 A A 0.0000
2304 Q A -0.8904
2305 T A 0.0000
2306 Q A -0.5501
2307 L A 1.0043
2308 G A 0.1014
2309 P A -0.4268
2310 Q A -0.9674
2311 P A -0.6988
2312 E A -1.2402
2313 V A 1.0379
2314 T A 0.2259
2315 P A -0.2557
2316 K A -1.4079
2317 R A -2.1264
2318 Q A -0.6971
2319 V A 0.4800
2320 L A 0.5370
2321 A A 0.1407
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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, -0.2014 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_7 -0.2014 View CSV PDB
model_2 -0.2068 View CSV PDB
model_0 -0.2085 View CSV PDB
model_1 -0.2089 View CSV PDB
model_5 -0.2157 View CSV PDB
model_4 -0.2182 View CSV PDB
CABS_average -0.222 View CSV PDB
model_8 -0.2221 View CSV PDB
model_3 -0.2237 View CSV PDB
model_6 -0.2268 View CSV PDB
model_9 -0.2343 View CSV PDB
model_10 -0.2406 View CSV PDB
model_11 -0.2568 View CSV PDB
input -0.2807 View CSV PDB