Project name: C144S

Status: done

Started: 2026-05-06 05:31:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLSSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 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                                                (00:34:55)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:14:22)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:15:51)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:17:13)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:18:37)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:20:00)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:21:26)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:22:50)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:24:13)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:25:36)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:26:58)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (18:28:21)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (18:29:45)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (18:31:07)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (18:33:47)
[INFO]       Main:     Simulation completed successfully.                                          (18:35:06)
Show buried residues

Minimal score value
-4.2309
Maximal score value
5.0894
Average score
-0.449
Total score value
-1042.0337

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 0.7260
2 G A 0.0507
3 P A 0.0220
4 G A -0.6518
5 A A -0.1081
6 R A -0.3106
7 G A -0.8656
8 R A -1.9783
9 R A -3.3461
10 R A -3.3447
11 R A -2.6907
12 R A -2.9583
13 R A -2.6466
14 P A 0.0000
15 M A -1.1020
16 S A -1.2055
17 P A -0.8690
18 P A -0.9045
19 P A -0.3322
20 P A -0.4092
21 P A -0.0803
22 P A 0.0000
23 P A 0.2584
24 V A 1.4961
25 R A 0.5217
26 A A 0.7327
27 L A 1.5084
28 P A 1.5943
29 L A 3.0211
30 L A 3.5469
31 L A 3.4462
32 L A 2.7122
33 L A 2.3361
34 A A 0.6089
35 G A -0.4808
36 P A -0.5908
37 G A -0.4118
38 A A 0.3008
39 A A 0.5278
40 A A 0.2439
41 P A 0.0000
42 P A -0.5915
43 C A 0.0000
44 L A -1.3143
45 D A -2.2836
46 G A -1.3882
47 S A -0.7564
48 P A -0.6608
49 C A 0.0000
50 A A 0.0000
51 N A -1.3194
52 G A -0.9235
53 G A -0.5808
54 R A 0.0000
55 C A 0.5334
56 T A -0.1136
57 Q A -1.0334
58 L A 0.0733
59 P A -0.8129
60 S A -0.8803
61 R A -1.7735
62 E A -2.3991
63 A A 0.0000
64 A A -0.1968
65 C A 0.0000
66 L A 0.7423
67 C A 0.2079
68 P A -0.3654
69 P A 0.0000
70 G A -0.9356
71 W A -0.5900
72 V A -0.4533
73 G A 0.0000
74 E A -1.4703
75 R A -0.6747
76 C A 0.0000
77 Q A 0.0000
78 L A -0.3263
79 E A -1.4831
80 D A 0.0000
81 P A -0.7725
82 C A 0.0000
83 H A 0.0000
84 S A 0.0000
85 G A -0.9857
86 P A -0.7717
87 C A -0.9104
88 A A -0.4621
89 G A -0.9363
90 R A -1.6863
91 G A -1.0208
92 V A 0.1010
93 C A 0.0000
94 Q A -0.9829
95 S A -0.9314
96 S A 0.0000
97 V A 0.0000
98 V A -0.0552
99 A A -0.3221
100 G A -0.5274
101 T A -0.4875
102 A A -0.9362
103 R A -1.6407
104 F A -0.8247
105 S A -0.8274
106 C A 0.0000
107 R A -1.9703
108 C A -1.4479
109 P A -1.0049
110 R A -1.0906
111 G A -0.6599
112 F A -0.8363
113 R A -1.8639
114 G A -1.6490
115 P A -1.4764
116 D A -2.0518
117 C A -1.1689
118 S A -1.2729
119 L A -0.7411
120 P A 0.0000
121 D A -0.3903
122 P A 0.1126
123 C A 0.4668
124 L A 1.0790
125 S A 0.3768
126 S A 0.0790
127 P A -0.1486
128 C A -0.6349
129 A A -0.6655
130 H A -1.6710
131 G A -1.2337
132 A A -1.1402
133 R A -1.5747
134 C A -0.1228
135 S A -0.1420
136 V A -0.1627
137 G A -0.8791
138 P A -1.8098
139 D A -2.7828
140 G A -1.8979
141 R A -2.2324
142 F A 0.0000
143 L A 0.4019
144 S A 0.0000
145 S A -0.7348
146 C A -0.3849
147 P A -0.5226
148 P A -0.2543
149 G A -0.0884
150 Y A -0.0841
151 Q A -1.0002
152 G A -1.3353
153 R A -1.7524
154 S A -0.9599
155 C A -0.7214
156 R A -1.1664
157 S A -0.7474
158 D A 0.0000
159 V A -0.1603
160 D A -0.3909
161 E A -0.6359
162 C A -0.9882
163 R A -1.5297
164 V A 0.2310
165 G A -0.8575
166 E A -2.3676
167 P A -1.5656
168 C A -1.6614
169 R A -2.3332
170 H A -1.8702
171 G A -1.3758
172 G A -1.2351
173 T A -0.9654
174 C A 0.0000
175 L A -0.3286
176 N A -0.5683
177 T A -0.5814
178 P A -0.4340
179 G A -1.0043
180 S A -0.4671
181 F A -0.4374
182 R A -1.2294
183 C A -0.7609
184 Q A -0.8042
185 C A -0.4192
186 P A -0.1297
187 A A -0.0514
188 G A 0.0086
189 Y A -0.1412
190 T A -0.5402
191 G A -0.8234
192 P A -0.6074
193 L A -0.3294
194 C A -1.1840
195 E A -2.0316
196 N A 0.0000
197 P A -0.4900
198 A A -0.1969
199 V A 0.1262
200 P A -0.2628
201 C A 0.0000
202 A A -0.1374
203 P A -0.5505
204 S A -0.2660
205 P A -0.4755
206 C A -0.5330
207 R A -0.8978
208 N A -1.3468
209 G A -1.1879
210 G A -1.1580
211 T A -0.9972
212 C A -1.0253
213 R A -1.9293
214 Q A -1.5610
215 S A -1.5501
216 G A -1.6347
217 D A -2.2021
218 L A -1.1859
219 T A -0.9422
220 Y A -0.9549
221 D A -1.4833
222 C A 0.0000
223 A A -0.6499
224 C A 0.0000
225 L A 0.0000
226 P A 0.0914
227 G A 0.0268
228 F A 0.1752
229 E A -1.0660
230 G A -1.5357
231 Q A -2.1727
232 N A -1.9620
233 C A 0.0000
234 E A -2.1247
235 V A -0.5795
236 N A 0.0000
237 V A 0.9496
238 D A -0.4402
239 D A -1.0862
240 C A -0.8771
241 P A -1.1258
242 G A -1.2668
243 H A -1.5146
244 R A -2.2991
245 C A -1.0677
246 L A -0.6768
247 N A -1.5567
248 G A -1.0751
249 G A -0.8337
250 T A -0.8561
251 C A -0.5075
252 V A 0.2002
253 D A -0.5258
254 G A 0.0922
255 V A 0.8361
256 N A 0.0000
257 T A -0.0473
258 Y A -0.3228
259 N A -0.6421
260 C A -0.1937
261 Q A -0.3103
262 C A -0.9576
263 P A 0.0000
264 P A -1.1752
265 E A -1.9769
266 W A -1.5039
267 T A -1.4006
268 G A -1.2655
269 Q A -1.4128
270 F A -0.8137
271 C A 0.0000
272 T A 0.0000
273 E A -1.9716
274 D A -2.3325
275 V A 0.0000
276 D A -1.3556
277 E A -1.5435
278 C A 0.0000
279 Q A -1.0420
280 L A -0.8308
281 Q A -1.8056
282 P A -1.7842
283 N A -2.1703
284 A A -1.3255
285 C A 0.0000
286 H A -1.8861
287 N A -1.8530
288 G A -1.1353
289 G A -0.4231
290 T A -0.0154
291 C A 0.0000
292 F A 1.5106
293 N A -0.2001
294 T A 0.2107
295 L A 0.4441
296 G A -0.8338
297 G A -0.6813
298 H A -0.4469
299 S A 0.1750
300 C A 0.8217
301 V A 0.8321
302 C A 0.1497
303 V A 0.1588
304 N A -0.8870
305 G A 0.0000
306 W A 0.0000
307 T A -0.6621
308 G A -1.5109
309 E A -2.4565
310 S A -1.5661
311 C A -1.0336
312 S A 0.0000
313 Q A -1.3110
314 N A -0.7904
315 I A 0.7760
316 D A 0.0770
317 D A 0.0000
318 C A 0.8879
319 A A 0.8352
320 T A 0.5882
321 A A 0.0000
322 V A 2.4071
323 C A 0.0000
324 F A 2.0623
325 H A 0.4543
326 G A -0.1332
327 A A 0.4897
328 T A 0.3669
329 C A 0.4230
330 H A -0.4939
331 D A -0.0319
332 R A 0.0000
333 V A 0.0000
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.0000
338 C A 0.0000
339 A A -0.1146
340 C A 0.2397
341 P A 0.0241
342 M A 0.5965
343 G A -0.1525
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.7616
351 L A -0.1150
352 D A -0.2046
353 D A 0.0000
354 A A 0.0000
355 C A 0.0000
356 V A 1.6900
357 S A 0.8145
358 N A 0.0000
359 P A -0.2644
360 C A -0.3862
361 H A -1.7944
362 E A -2.9939
363 D A -2.7213
364 A A -0.9406
365 I A 0.8032
366 C A 0.6118
367 D A 0.0000
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A -0.3906
372 N A -0.8038
373 G A -0.6076
374 R A 0.0000
375 A A 0.0045
376 I A 0.0000
377 C A 0.0000
378 T A -0.0654
379 C A -0.3895
380 P A -0.5319
381 P A -0.4207
382 G A -0.6503
383 F A -0.3854
384 T A -0.6044
385 G A 0.0000
386 G A 0.0000
387 A A 0.0000
388 C A 0.0000
389 D A 0.0000
390 Q A 0.0000
391 D A 0.0000
392 V A -0.6397
393 D A -1.4362
394 E A -2.1554
395 C A -0.7073
396 S A 0.2955
397 I A 1.8490
398 G A 0.8046
399 A A 0.3760
400 N A 0.0018
401 P A -0.2788
402 C A 0.2341
403 E A 0.0000
404 H A 0.0000
405 L A -0.1040
406 G A -0.4049
407 R A 0.5240
408 C A 1.1493
409 V A 0.9640
410 N A -0.5674
411 T A -1.0798
412 Q A -1.8930
413 G A -1.4296
414 S A -0.3099
415 F A 0.7247
416 L A 1.7579
417 C A 1.1400
418 Q A 0.0000
419 C A 0.8665
420 G A 0.0928
421 R A 0.0000
422 G A -0.2782
423 Y A 0.0000
424 T A -0.0052
425 G A -0.1951
426 P A -0.7806
427 R A -1.1207
428 C A -0.1895
429 E A 0.0000
430 T A 0.0000
431 D A 0.0000
432 V A 0.7924
433 N A -0.3689
434 E A -0.8476
435 C A 0.0000
436 L A 1.1804
437 S A 0.2023
438 G A -0.4051
439 P A -1.0235
440 C A -0.6877
441 R A -1.9351
442 N A -2.1235
443 Q A -1.2811
444 A A 0.0000
445 T A -0.6005
446 C A 0.1658
447 L A 0.1565
448 D A 0.0000
449 R A -0.0537
450 I A 0.0000
451 G A -0.4247
452 Q A -0.0217
453 F A 1.5256
454 T A 0.0000
455 C A 0.5770
456 I A 0.0000
457 C A 0.0000
458 M A 0.4041
459 A A 0.1621
460 G A 0.2323
461 F A 0.3557
462 T A 0.0948
463 G A -0.2449
464 T A 0.0776
465 Y A 1.1066
466 C A 0.0000
467 E A -0.6804
468 V A 0.1549
469 D A -0.1664
470 I A -0.3828
471 D A -1.6481
472 E A -1.3864
473 C A 0.0000
474 Q A 0.0000
475 S A 0.0000
476 S A 0.0000
477 P A -0.1992
478 C A 0.0000
479 V A -0.3310
480 N A -1.0443
481 G A -0.8247
482 G A -0.8068
483 V A 0.0000
484 C A 0.0000
485 K A -1.9817
486 D A -2.0454
487 R A -1.8984
488 V A -0.1180
489 N A -1.0025
490 G A -0.5920
491 F A 0.3526
492 S A -0.3811
493 C A 0.1696
494 T A 0.1107
495 C A 0.2043
496 P A 0.0000
497 S A 0.0108
498 G A 0.5577
499 F A 1.2505
500 S A 0.5880
501 G A 0.0258
502 S A -0.7070
503 T A 0.0000
504 C A 0.0000
505 Q A 0.0000
506 L A 0.0000
507 D A 0.0000
508 V A 0.0000
509 D A 0.0000
510 E A 0.0000
511 C A -0.5574
512 A A 0.0000
513 S A 0.0000
514 T A 0.0000
515 P A -0.2331
516 C A -0.3708
517 R A -0.9340
518 N A -0.9638
519 G A -1.5470
520 A A -1.7056
521 K A -2.5129
522 C A -1.4168
523 V A -0.4906
524 D A -0.7284
525 Q A -1.3808
526 P A -0.9778
527 D A -0.8791
528 G A -0.7910
529 Y A -0.3843
530 E A -1.6925
531 C A -1.4025
532 R A -2.6257
533 C A -1.9294
534 A A -1.7078
535 E A -2.5098
536 G A -2.0032
537 F A -2.1962
538 E A -2.6975
539 G A -1.3170
540 T A -0.1930
541 L A 0.8818
542 C A -0.3632
543 D A -1.2180
544 R A -2.5019
545 N A -2.0537
546 V A -1.2786
547 D A -2.4443
548 D A -2.1527
549 C A -0.7469
550 S A -1.6398
551 P A -1.8969
552 D A -2.6377
553 P A -1.8137
554 C A -1.6171
555 H A -1.7460
556 H A -2.0132
557 G A -1.1653
558 R A -0.8139
559 C A 0.8701
560 V A 1.5190
561 D A 0.1342
562 G A 0.6520
563 I A 1.4317
564 A A 0.1422
565 S A 0.0904
566 F A 1.5357
567 S A 0.0628
568 C A -0.2470
569 A A 0.0000
570 C A 0.0000
571 A A -0.3950
572 P A -0.6049
573 G A 0.0000
574 Y A -0.2676
575 T A -1.1143
576 G A -1.0430
577 T A -1.9238
578 R A -2.9523
579 C A -1.3244
580 E A -2.4684
581 S A -1.0290
582 Q A -1.4058
583 V A 0.0000
584 D A -1.0392
585 E A -1.2436
586 C A 0.0000
587 R A -0.7881
588 S A -0.7758
589 Q A -0.6128
590 P A 0.0000
591 C A 0.0000
592 R A -2.4482
593 H A -2.2179
594 G A -1.3123
595 G A -0.9889
596 K A -0.9268
597 C A -0.2696
598 L A 0.6593
599 D A 0.2039
600 L A 0.7448
601 V A -0.8298
602 D A -2.0384
603 K A -1.2663
604 Y A 0.7098
605 L A 1.2103
606 C A 0.4673
607 R A -0.7751
608 C A 0.0000
609 P A 0.0000
610 S A 0.0000
611 G A -0.9841
612 T A -0.2342
613 T A 0.0000
614 G A 0.7397
615 V A 1.4150
616 N A 0.1083
617 C A 0.0000
618 E A 0.0000
619 V A 0.0000
620 N A -0.8687
621 I A 0.0000
622 D A -2.1362
623 D A -1.5402
624 C A -0.5918
625 A A 0.1421
626 S A -0.3050
627 N A -0.2423
628 P A 0.2395
629 C A 0.3620
630 T A 0.3672
631 F A 0.7391
632 G A 0.0000
633 V A 0.3693
634 C A 0.0000
635 R A -0.4587
636 D A -1.2387
637 G A 0.0000
638 I A -0.7910
639 N A -1.6530
640 R A -1.3615
641 Y A 0.3254
642 D A 0.0000
643 C A 0.0000
644 V A 0.6148
645 C A 0.4047
646 Q A -0.3363
647 P A -0.3288
648 G A 0.0000
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2268 E A -0.5413
2269 S A -0.5750
2270 T A -0.8169
2271 P A -0.6718
2272 S A -0.7048
2273 P A -0.5625
2274 A A -0.7006
2275 T A -0.3618
2276 A A -0.5907
2277 T A -0.5894
2278 G A -0.7432
2279 A A -0.5129
2280 M A 0.4069
2281 A A -0.6867
2282 T A 0.0000
2283 T A -0.8498
2284 T A -0.6304
2285 G A -0.9703
2286 A A -0.8525
2287 L A 0.0000
2288 P A -1.3202
2289 A A 0.0000
2290 Q A 0.0000
2291 P A -0.0550
2292 L A 0.5063
2293 P A 0.5501
2294 L A 0.8324
2295 S A 0.0479
2296 V A 0.0000
2297 P A -0.1662
2298 S A -0.6109
2299 S A 0.2539
2300 L A 0.6383
2301 A A -0.0028
2302 Q A -1.1936
2303 A A -1.3232
2304 Q A -2.2064
2305 T A -1.8034
2306 Q A -1.7489
2307 L A -0.1153
2308 G A -0.1830
2309 P A -0.7880
2310 Q A -1.0286
2311 P A -0.7312
2312 E A -1.0207
2313 V A 0.8661
2314 T A -0.2671
2315 P A -0.8258
2316 K A -2.2113
2317 R A -2.6363
2318 Q A -1.4709
2319 V A 0.0000
2320 L A 0.0000
2321 A A -0.4930
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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, -0.449 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 -0.449 View CSV PDB
model_2 -0.4645 View CSV PDB
model_1 -0.4681 View CSV PDB
model_10 -0.4926 View CSV PDB
model_3 -0.5105 View CSV PDB
model_0 -0.5174 View CSV PDB
CABS_average -0.5227 View CSV PDB
model_5 -0.5233 View CSV PDB
model_4 -0.5497 View CSV PDB
model_6 -0.5687 View CSV PDB
model_8 -0.5728 View CSV PDB
model_9 -0.5767 View CSV PDB
model_11 -0.5789 View CSV PDB
input -0.7363 View CSV PDB