Project name: R587C_5_4D

Status: done

Started: 2026-05-22 01:13:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECCSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       CABS:     Running CABS flex simulation                                                (00:32:36)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:43:06)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:44:16)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:45:27)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:46:39)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:47:48)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:48:55)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:50:05)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:51:16)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:52:28)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:53:40)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:54:53)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:55:56)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:56:58)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (20:59:00)
[INFO]       Main:     Simulation completed successfully.                                          (21:00:00)
Show buried residues

Minimal score value
-2.467
Maximal score value
2.6048
Average score
-0.2053
Total score value
-476.6044

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 0.0000
2 G A 0.0000
3 P A -0.0734
4 G A -0.1120
5 A A -0.0670
6 R A -0.4157
7 G A -1.0280
8 R A -1.8967
9 R A -2.4670
10 R A -2.2312
11 R A -0.9059
12 R A -1.9370
13 R A 0.0000
14 P A -0.2642
15 M A 0.0000
16 S A -0.2129
17 P A 0.0000
18 P A -0.1003
19 P A -0.0705
20 P A -0.0554
21 P A -0.0839
22 P A -0.1105
23 P A 0.0370
24 V A -0.1722
25 R A -1.8009
26 A A -0.0147
27 L A 1.4396
28 P A 0.0780
29 L A 0.2191
30 L A 0.0000
31 L A 1.5477
32 L A 0.0000
33 L A 0.5002
34 A A 0.0000
35 G A 0.0000
36 P A -0.3425
37 G A -0.5095
38 A A -0.0627
39 A A 0.0000
40 A A 0.0000
41 P A -0.1030
42 P A -0.2644
43 C A 0.0000
44 L A 0.5571
45 D A -1.7039
46 G A -0.8091
47 S A -0.1908
48 P A -0.0840
49 C A 0.0000
50 A A 0.0000
51 N A -1.0909
52 G A -0.6078
53 G A -0.7037
54 R A -1.7974
55 C A 0.1772
56 T A -0.1403
57 Q A -1.1058
58 L A 0.1658
59 P A -0.1962
60 S A -0.3669
61 R A -0.8960
62 E A -1.9269
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.4868
67 C A 0.0000
68 P A -0.0854
69 P A -0.2974
70 G A -0.2373
71 W A 0.0000
72 V A 0.1557
73 G A -0.1143
74 E A 0.0000
75 R A -0.3536
76 C A 0.0000
77 Q A -0.2754
78 L A 0.0704
79 E A -0.3399
80 D A -0.2763
81 P A 0.0000
82 C A 0.0000
83 H A -1.0217
84 S A -0.3797
85 G A -0.1838
86 P A -0.2579
87 C A 0.0448
88 A A -0.0523
89 G A -0.5716
90 R A -0.6526
91 G A 0.0000
92 V A 0.6224
93 C A 0.2622
94 Q A -0.2976
95 S A -0.0990
96 S A 0.0000
97 V A 0.0000
98 V A 0.0000
99 A A -0.0722
100 G A -0.4695
101 T A -0.1184
102 A A -0.0274
103 R A -0.0752
104 F A 0.6805
105 S A 0.0260
106 C A 0.0000
107 R A -1.0919
108 C A 0.0463
109 P A 0.0000
110 R A -1.9073
111 G A -0.7698
112 F A -0.1572
113 R A -0.3118
114 G A 0.0000
115 P A 0.0000
116 D A -0.7177
117 C A -0.1004
118 S A -0.1710
119 L A 0.0508
120 P A -0.2430
121 D A -0.4601
122 P A -0.2448
123 C A 0.7675
124 L A 1.6041
125 S A 0.0680
126 S A -0.1527
127 P A -0.1904
128 C A 0.0000
129 A A -0.1494
130 H A -1.0707
131 G A -0.6534
132 A A 0.0000
133 R A -0.4421
134 C A -0.0071
135 S A 0.0000
136 V A 0.0000
137 G A 0.0000
138 P A -0.3943
139 D A -1.9509
140 G A -0.9274
141 R A -0.8670
142 F A 0.0000
143 L A 0.0000
144 C A 0.0000
145 S A -0.0228
146 C A 0.0000
147 P A 0.0000
148 P A -0.0963
149 G A -0.4180
150 Y A 0.0000
151 Q A -1.2110
152 G A -0.6877
153 R A -1.8218
154 S A -0.4215
155 C A 0.1544
156 R A -1.7465
157 S A -0.8961
158 D A -1.8288
159 V A 0.0000
160 D A -0.8707
161 E A 0.0000
162 C A 0.0000
163 R A -1.7569
164 V A 0.0744
165 G A 0.0000
166 E A -1.6972
167 P A -0.3513
168 C A 0.0000
169 R A -2.0349
170 H A -1.4408
171 G A -0.6660
172 G A -0.2504
173 T A 0.0000
174 C A 0.0000
175 L A 0.2158
176 N A -0.1204
177 T A -0.0651
178 P A -0.1255
179 G A -0.1212
180 S A 0.1700
181 F A 1.6809
182 R A 0.0577
183 C A 0.0000
184 Q A -0.3081
185 C A 0.1539
186 P A -0.0590
187 A A 0.0255
188 G A 0.2013
189 Y A 1.3021
190 T A 0.2587
191 G A 0.0000
192 P A 0.2087
193 L A 1.5665
194 C A 0.0817
195 E A -1.8818
196 N A -0.9093
197 P A -0.3609
198 A A 0.2844
199 V A 1.7566
200 P A 0.4190
201 C A 0.1180
202 A A 0.0322
203 P A -0.2548
204 S A -0.1390
205 P A -0.2380
206 C A 0.0183
207 R A -0.4144
208 N A -0.2795
209 G A -0.3099
210 G A -0.5063
211 T A -0.0103
212 C A 0.1508
213 R A -1.9593
214 Q A -1.3977
215 S A -0.4446
216 G A -0.5076
217 D A -1.5254
218 L A 1.2068
219 T A 0.3818
220 Y A 0.2285
221 D A -1.5429
222 C A -0.1760
223 A A 0.0425
224 C A 0.0000
225 L A 1.5016
226 P A -0.0213
227 G A -0.1027
228 F A 1.4525
229 E A 0.0000
230 G A -0.5645
231 Q A -0.8139
232 N A -1.3233
233 C A -0.0581
234 E A 0.0000
235 V A 1.7728
236 N A 0.0000
237 V A 1.7065
238 D A -0.3575
239 D A -1.8568
240 C A 0.0000
241 P A -0.2056
242 G A -0.6760
243 H A -1.4270
244 R A -2.0313
245 C A 0.0000
246 L A 1.4482
247 N A -0.0457
248 G A -0.2702
249 G A -0.2652
250 T A -0.0490
251 C A 0.4639
252 V A 0.8617
253 D A -0.2976
254 G A 0.0020
255 V A 0.6353
256 N A -1.1095
257 T A -0.1349
258 Y A 0.1238
259 N A -0.2454
260 C A 0.0000
261 Q A -0.9524
262 C A 0.0000
263 P A -0.3218
264 P A -0.3654
265 E A -0.2594
266 W A 0.0773
267 T A -0.0271
268 G A -0.4163
269 Q A -0.9010
270 F A 1.4331
271 C A 0.0000
272 T A -0.0112
273 E A 0.0000
274 D A -0.4182
275 V A 0.0000
276 D A -0.2352
277 E A -0.3203
278 C A 0.0000
279 Q A -0.0022
280 L A 0.6231
281 Q A -1.1014
282 P A -0.6555
283 N A -0.4693
284 A A -0.0476
285 C A -0.1200
286 H A -1.2140
287 N A -1.5430
288 G A -0.7353
289 G A -0.2314
290 T A -0.0912
291 C A 0.0000
292 F A 0.4088
293 N A 0.0000
294 T A 0.0000
295 L A 0.1708
296 G A 0.0000
297 G A 0.0000
298 H A -0.2476
299 S A 0.0000
300 C A 0.1081
301 V A 0.0000
302 C A 0.0000
303 V A 1.2691
304 N A -0.1957
305 G A -0.4081
306 W A 0.5137
307 T A 0.0851
308 G A -0.3970
309 E A -1.8538
310 S A -0.4239
311 C A 0.2088
312 S A -0.2373
313 Q A -1.3116
314 N A -0.4035
315 I A 1.5521
316 D A -1.5053
317 D A -0.8086
318 C A 0.0615
319 A A 0.0243
320 T A -0.0141
321 A A 0.1298
322 V A 0.5550
323 C A 0.8526
324 F A 0.7622
325 H A -0.9211
326 G A -0.6518
327 A A -0.0911
328 T A 0.0693
329 C A 0.6170
330 H A -0.5370
331 D A -1.1441
332 R A -1.3598
333 V A 1.4927
334 A A 0.3764
335 S A -0.1485
336 F A 0.4272
337 Y A 0.7327
338 C A 0.0000
339 A A -0.0025
340 C A 0.0000
341 P A -0.0977
342 M A 0.8146
343 G A -0.1217
344 K A -1.4000
345 T A 0.0000
346 G A -0.0622
347 L A 0.5624
348 L A 0.0000
349 C A 0.4321
350 H A -0.6970
351 L A 0.4492
352 D A -1.5981
353 D A -0.9180
354 A A 0.0476
355 C A 0.7668
356 V A 0.7395
357 S A -0.3275
358 N A -1.3709
359 P A -0.5851
360 C A -0.1252
361 H A -0.6229
362 E A -1.9640
363 D A -2.0856
364 A A 0.0000
365 I A 1.0827
366 C A 0.0000
367 D A -0.4375
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.3951
372 N A -1.2434
373 G A -1.0440
374 R A -1.9279
375 A A -0.1298
376 I A 1.0028
377 C A 0.3037
378 T A 0.0513
379 C A 0.3828
380 P A 0.0405
381 P A -0.0577
382 G A 0.0000
383 F A 0.1483
384 T A -0.0615
385 G A -0.3648
386 G A -0.5007
387 A A -0.0176
388 C A -0.1482
389 D A -0.8639
390 Q A -0.6834
391 D A -0.4058
392 V A 0.0000
393 D A 0.0000
394 E A -0.8456
395 C A 0.0311
396 S A 0.0000
397 I A 0.0000
398 G A -0.4602
399 A A -0.0571
400 N A 0.0000
401 P A -0.1865
402 C A 0.0000
403 E A -0.5074
404 H A 0.0163
405 L A 1.0611
406 G A -0.1171
407 R A -0.9073
408 C A 0.0378
409 V A 0.0000
410 N A 0.0000
411 T A -0.2881
412 Q A -1.2911
413 G A -0.7144
414 S A -0.1532
415 F A 0.2427
416 L A 0.3948
417 C A 0.1524
418 Q A -0.1202
419 C A 0.0000
420 G A 0.0000
421 R A -0.3767
422 G A -0.0481
423 Y A 0.6772
424 T A 0.0436
425 G A -0.1201
426 P A -0.4617
427 R A -1.0468
428 C A -0.3814
429 E A -1.5167
430 T A -0.6557
431 D A -1.7210
432 V A -0.1279
433 N A -1.2486
434 E A -0.4642
435 C A 0.3645
436 L A 1.5620
437 S A 0.2035
438 G A -0.2535
439 P A -0.0257
440 C A 0.2356
441 R A -0.5572
442 N A -1.3692
443 Q A -0.4227
444 A A -0.0684
445 T A 0.0066
446 C A 0.3735
447 L A 1.3416
448 D A -1.2267
449 R A -2.0124
450 I A 0.0618
451 G A 0.0000
452 Q A -0.4015
453 F A 0.0000
454 T A -0.0104
455 C A 0.0000
456 I A 0.3961
457 C A 0.0000
458 M A 0.0000
459 A A 0.0000
460 G A 0.0000
461 F A 1.1509
462 T A 0.1700
463 G A -0.0577
464 T A -0.0664
465 Y A 0.2084
466 C A 0.0000
467 E A -0.8318
468 V A -0.1798
469 D A -1.7480
470 I A 0.0000
471 D A -1.2922
472 E A 0.0000
473 C A 0.0000
474 Q A -1.3608
475 S A -0.4493
476 S A -0.1264
477 P A -0.2453
478 C A 0.3560
479 V A 1.5284
480 N A -0.1525
481 G A -0.6252
482 G A -0.3847
483 V A 0.8073
484 C A 0.0000
485 K A -1.9963
486 D A -1.8489
487 R A -0.4298
488 V A 0.4014
489 N A 0.0000
490 G A 0.0000
491 F A 0.0000
492 S A -0.3025
493 C A 0.0475
494 T A -0.0180
495 C A 0.0000
496 P A -0.2487
497 S A -0.1002
498 G A -0.1528
499 F A 0.6385
500 S A -0.0633
501 G A -0.2155
502 S A -0.2403
503 T A -0.0486
504 C A 0.0000
505 Q A -0.5542
506 L A 0.9121
507 D A 0.1060
508 V A 1.5712
509 D A -0.6161
510 E A -1.9363
511 C A 0.0000
512 A A 0.0193
513 S A -0.1969
514 T A -0.1160
515 P A -0.2466
516 C A -0.0894
517 R A -0.7469
518 N A -1.1485
519 G A -0.6393
520 A A -0.3852
521 K A -1.6371
522 C A 0.1323
523 V A 0.6324
524 D A -1.3953
525 Q A -1.5116
526 P A -0.8228
527 D A -1.8547
528 G A -0.5602
529 Y A 0.1464
530 E A -1.0665
531 C A 0.0000
532 R A -1.5437
533 C A -0.1589
534 A A -0.0679
535 E A -0.8607
536 G A -0.2930
537 F A 1.5150
538 E A -1.5330
539 G A -0.8247
540 T A -0.0111
541 L A 0.8169
542 C A 0.2576
543 D A -0.3988
544 R A 0.0000
545 N A -1.1851
546 V A 0.1062
547 D A -1.8071
548 D A -1.0464
549 C A -0.0090
550 S A -0.2087
551 P A -0.3129
552 D A -0.6794
553 P A -0.3162
554 C A 0.0945
555 H A -0.9668
556 H A -1.1636
557 G A -0.7039
558 R A -1.8329
559 C A 0.0592
560 V A 1.3697
561 D A -0.3328
562 G A 0.1357
563 I A 2.0022
564 A A 0.3914
565 S A -0.1746
566 F A 0.1678
567 S A -0.0130
568 C A 0.0000
569 A A 0.0487
570 C A 0.0000
571 A A -0.0169
572 P A -0.3095
573 G A -0.4660
574 Y A -0.0019
575 T A 0.0000
576 G A -0.2643
577 T A 0.0000
578 R A -1.7066
579 C A 0.0348
580 E A -1.7194
581 S A -0.7824
582 Q A -0.8753
583 V A 1.5008
584 D A -0.2528
585 E A -1.8201
586 C A -0.0942
587 C A 0.1505
588 S A -0.2404
589 Q A -1.2165
590 P A -0.2396
591 C A -0.1049
592 R A -1.8826
593 H A -0.9689
594 G A -0.5921
595 G A -0.6295
596 K A -1.7002
597 C A 0.1221
598 L A 1.4370
599 D A -0.5243
600 L A 1.4267
601 V A 0.4362
602 D A -2.0224
603 K A -1.9824
604 Y A 0.1073
605 L A 0.9781
606 C A 0.0209
607 R A -1.4297
608 C A -0.4027
609 P A -0.2173
610 S A -0.1844
611 G A -0.4805
612 T A -0.1226
613 T A -0.1636
614 G A -0.1454
615 V A 1.4527
616 N A -0.9222
617 C A 0.0366
618 E A 0.0000
619 V A 0.4051
620 N A -0.0066
621 I A 0.7798
622 D A -1.8739
623 D A -2.0591
624 C A -0.1260
625 A A 0.1292
626 S A -0.2573
627 N A -1.3288
628 P A -0.4420
629 C A 0.3438
630 T A 0.1285
631 F A 0.6998
632 G A 0.0412
633 V A 0.4355
634 C A 0.1309
635 R A -2.0726
636 D A -2.1886
637 G A -0.4976
638 I A 1.1303
639 N A -1.2568
640 R A -1.8576
641 Y A -0.3770
642 D A -0.4418
643 C A 0.5437
644 V A 0.7751
645 C A 0.1758
646 Q A -0.3561
647 P A -0.3544
648 G A -0.2290
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1991 L A 0.0000
1992 L A 0.1614
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1994 H A -0.6174
1995 F A 0.2419
1996 A A 0.0000
1997 N A 0.0000
1998 R A 0.0000
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2283 T A -0.0614
2284 T A -0.1261
2285 G A -0.2261
2286 A A 0.0724
2287 L A 0.2264
2288 P A -0.1955
2289 A A -0.2575
2290 Q A -1.2277
2291 P A -0.3014
2292 L A 0.5277
2293 P A 0.3169
2294 L A 1.5101
2295 S A 0.2606
2296 V A 0.5729
2297 P A -0.0221
2298 S A -0.0586
2299 S A 0.2448
2300 L A 1.5423
2301 A A 0.0738
2302 Q A -1.1855
2303 A A -0.2144
2304 Q A -0.3696
2305 T A -0.3416
2306 Q A -1.0045
2307 L A 0.9509
2308 G A -0.0301
2309 P A 0.0000
2310 Q A -0.5479
2311 P A -0.1747
2312 E A -0.1542
2313 V A 1.7233
2314 T A -0.0726
2315 P A -0.5873
2316 K A -2.0965
2317 R A -2.4206
2318 Q A -1.4732
2319 V A 0.3819
2320 L A 0.7453
2321 A A 0.1795
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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, -0.2053 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_0 -0.2053 View CSV PDB
model_3 -0.2065 View CSV PDB
model_5 -0.212 View CSV PDB
model_8 -0.2122 View CSV PDB
model_10 -0.2133 View CSV PDB
model_9 -0.2143 View CSV PDB
model_2 -0.2149 View CSV PDB
model_6 -0.2163 View CSV PDB
CABS_average -0.2177 View CSV PDB
model_11 -0.2233 View CSV PDB
model_7 -0.2298 View CSV PDB
model_1 -0.2315 View CSV PDB
model_4 -0.2329 View CSV PDB
input -0.2772 View CSV PDB