Project name: C504G_5_4D

Status: done

Started: 2026-06-12 06:48:52
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTGQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:34)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:04:17)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:05:21)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:06:28)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:07:36)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (13:08:40)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (13:09:44)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (13:10:48)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (13:11:51)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (13:12:56)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (13:14:00)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (13:15:05)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (13:16:11)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (13:17:17)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:19:27)
[INFO]       Main:     Simulation completed successfully.                                          (13:20:41)
Show buried residues

Minimal score value
-2.5517
Maximal score value
2.1358
Average score
-0.2212
Total score value
-513.3197

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 0.9644
2 G A -0.3499
3 P A -0.4550
4 G A -0.2764
5 A A -0.3385
6 R A -1.9236
7 G A -0.9188
8 R A -0.9350
9 R A -2.2913
10 R A -2.5517
11 R A -2.4216
12 R A -1.5692
13 R A -0.4934
14 P A -0.1633
15 M A 0.6281
16 S A -0.1060
17 P A -0.2434
18 P A -0.3133
19 P A -0.2430
20 P A -0.3294
21 P A -0.3700
22 P A -0.3704
23 P A 0.0287
24 V A 1.3789
25 R A -1.5004
26 A A 0.0100
27 L A 1.5489
28 P A 0.3492
29 L A 0.7033
30 L A 1.1831
31 L A 1.2502
32 L A 1.4298
33 L A 0.0000
34 A A -0.0471
35 G A -0.2829
36 P A -0.1963
37 G A -0.4695
38 A A -0.0479
39 A A 0.0265
40 A A 0.0597
41 P A 0.0000
42 P A -0.1204
43 C A 0.0000
44 L A 1.2057
45 D A -1.5813
46 G A -0.8439
47 S A -0.3024
48 P A 0.0000
49 C A 0.0000
50 A A -0.2281
51 N A -1.3980
52 G A -0.7938
53 G A -0.9995
54 R A -1.7192
55 C A -0.1139
56 T A -0.1968
57 Q A -1.3193
58 L A 0.1560
59 P A -0.2123
60 S A -0.4701
61 R A -1.4900
62 E A -2.1616
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.3481
67 C A 0.0000
68 P A -0.1245
69 P A -0.3582
70 G A -0.4415
71 W A 0.0623
72 V A 0.0000
73 G A 0.0000
74 E A -1.0074
75 R A -1.9613
76 C A 0.0000
77 Q A -1.1238
78 L A -0.1764
79 E A -1.8115
80 D A -0.9632
81 P A -0.1726
82 C A -0.2095
83 H A -1.0167
84 S A -0.4851
85 G A -0.5488
86 P A -0.2963
87 C A 0.2375
88 A A -0.1923
89 G A -0.8173
90 R A -1.9471
91 G A -0.1008
92 V A 1.8066
93 C A 0.3862
94 Q A -1.0634
95 S A -0.1457
96 S A -0.1530
97 V A 0.0000
98 V A 1.6941
99 A A 0.3080
100 G A -0.4331
101 T A -0.1098
102 A A -0.1211
103 R A -0.5431
104 F A 0.5981
105 S A 0.0931
106 C A 0.0000
107 R A -1.8441
108 C A 0.0000
109 P A -0.5222
110 R A -1.8634
111 G A -0.3665
112 F A -0.2196
113 R A -1.1191
114 G A 0.0000
115 P A -0.4497
116 D A -1.0782
117 C A 0.0000
118 S A -0.1621
119 L A 0.1850
120 P A -0.2255
121 D A -0.5025
122 P A -0.3099
123 C A 0.4393
124 L A 1.5625
125 S A 0.2311
126 S A -0.2847
127 P A -0.2930
128 C A 0.0581
129 A A -0.1093
130 H A -1.0658
131 G A -0.6491
132 A A -0.4296
133 R A -1.8428
134 C A 0.0000
135 S A 0.1405
136 V A 0.1674
137 G A -0.3107
138 P A -0.6830
139 D A -1.8921
140 G A -1.1632
141 R A -1.8923
142 F A 0.1683
143 L A 1.3509
144 C A 0.3324
145 S A -0.0448
146 C A 0.0000
147 P A -0.2886
148 P A -0.2447
149 G A 0.2224
150 Y A 1.2506
151 Q A -0.1261
152 G A -0.8333
153 R A -1.9625
154 S A -0.5120
155 C A -0.1142
156 R A -1.6890
157 S A -0.5771
158 D A -0.4439
159 V A 0.2701
160 D A 0.0000
161 E A -0.4151
162 C A 0.0000
163 R A -1.6109
164 V A 0.9161
165 G A -0.4064
166 E A -1.1295
167 P A -0.4234
168 C A -0.3779
169 R A -2.0078
170 H A -1.4439
171 G A -0.6678
172 G A -0.2939
173 T A -0.0172
174 C A 0.3960
175 L A 0.5109
176 N A -0.6377
177 T A -0.2359
178 P A -0.2826
179 G A -0.1814
180 S A 0.0097
181 F A 0.2860
182 R A -1.0444
183 C A 0.0000
184 Q A -0.8408
185 C A 0.0000
186 P A -0.0995
187 A A 0.0047
188 G A -0.1529
189 Y A 0.0000
190 T A -0.0313
191 G A -0.0618
192 P A -0.3841
193 L A 0.2173
194 C A 0.0000
195 E A -2.0374
196 N A -1.5447
197 P A -0.4475
198 A A 0.3162
199 V A 1.7460
200 P A 0.3191
201 C A 0.7124
202 A A 0.1644
203 P A -0.1908
204 S A -0.2581
205 P A -0.0914
206 C A -0.0261
207 R A -1.9492
208 N A -0.9016
209 G A -0.6752
210 G A -0.5115
211 T A -0.1272
212 C A -0.1681
213 R A -1.9705
214 Q A -1.2106
215 S A -0.3983
216 G A -0.8330
217 D A -1.7891
218 L A 0.1141
219 T A 0.2050
220 Y A 0.5074
221 D A -1.5805
222 C A -0.0772
223 A A 0.0790
224 C A 0.3376
225 L A 1.5636
226 P A 0.2279
227 G A 0.2594
228 F A 1.8248
229 E A -0.2419
230 G A -0.7306
231 Q A -1.1119
232 N A -0.7572
233 C A 0.5143
234 E A -0.2906
235 V A 0.0000
236 N A 0.0000
237 V A 0.2058
238 D A -1.7802
239 D A -0.7041
240 C A 0.4159
241 P A -0.1664
242 G A -0.6032
243 H A -0.9445
244 R A -1.9241
245 C A -0.0993
246 L A 0.8704
247 N A -0.8250
248 G A -0.6806
249 G A -0.2905
250 T A 0.0000
251 C A 0.0000
252 V A 0.2386
253 D A -0.2337
254 G A -0.1853
255 V A 1.5836
256 N A 0.0501
257 T A -0.0684
258 Y A 0.0606
259 N A -0.4799
260 C A 0.0000
261 Q A -0.2866
262 C A 0.0000
263 P A -0.0964
264 P A -0.5881
265 E A -1.8384
266 W A -0.1145
267 T A -0.0072
268 G A -0.1193
269 Q A 0.0000
270 F A 2.0831
271 C A 1.0951
272 T A -0.0094
273 E A -0.7546
274 D A -1.6746
275 V A 0.5394
276 D A -0.8438
277 E A -2.0275
278 C A -0.5618
279 Q A -0.8794
280 L A 1.3203
281 Q A 0.0000
282 P A -0.2549
283 N A 0.0000
284 A A 0.1060
285 C A 0.2167
286 H A -0.8766
287 N A -1.4471
288 G A -0.6398
289 G A -0.5170
290 T A -0.0720
291 C A 0.5941
292 F A 1.8030
293 N A -0.8221
294 T A 0.0713
295 L A 1.5225
296 G A 0.1117
297 G A -0.5125
298 H A -0.3799
299 S A -0.1890
300 C A 0.4489
301 V A 1.8084
302 C A 0.7421
303 V A 1.7255
304 N A 0.0597
305 G A -0.3171
306 W A 0.7954
307 T A 0.1016
308 G A -0.4443
309 E A -1.8373
310 S A 0.0000
311 C A 0.0000
312 S A -0.1916
313 Q A -0.3721
314 N A -1.2539
315 I A -0.0974
316 D A -1.7375
317 D A -0.7503
318 C A 0.2746
319 A A 0.1164
320 T A -0.0594
321 A A 0.0851
322 V A 0.4153
323 C A 1.0988
324 F A 1.8523
325 H A -0.6832
326 G A -0.2683
327 A A 0.1962
328 T A 0.0197
329 C A 0.2606
330 H A -0.8840
331 D A -2.2547
332 R A -1.8577
333 V A 1.4380
334 A A 0.3586
335 S A -0.2344
336 F A 0.3025
337 Y A 0.5205
338 C A 0.0000
339 A A 0.0012
340 C A 0.0000
341 P A 0.0872
342 M A 0.8814
343 G A -0.2831
344 K A -1.7074
345 T A -0.3661
346 G A 0.1936
347 L A 1.6877
348 L A 1.5509
349 C A 0.0000
350 H A -0.0417
351 L A 0.0638
352 D A 0.0000
353 D A -1.7880
354 A A -0.3433
355 C A 0.0000
356 V A 1.7361
357 S A -0.0336
358 N A -1.0707
359 P A -0.4283
360 C A -0.1502
361 H A -1.3083
362 E A -2.3449
363 D A -2.1205
364 A A 0.0583
365 I A 2.0764
366 C A 0.5537
367 D A -0.8352
368 T A -0.2042
369 N A -0.2668
370 P A 0.0668
371 V A 1.2788
372 N A -1.0713
373 G A -1.0908
374 R A -1.9218
375 A A 0.0869
376 I A 2.0422
377 C A 0.5092
378 T A 0.0074
379 C A 0.1397
380 P A -0.1889
381 P A -0.2876
382 G A 0.0000
383 F A 0.5141
384 T A 0.0000
385 G A -0.3129
386 G A -0.5088
387 A A 0.0000
388 C A -0.1614
389 D A -1.8457
390 Q A -1.1641
391 D A -1.8793
392 V A 0.0000
393 D A -1.8965
394 E A -0.8761
395 C A 0.0280
396 S A -0.2904
397 I A 0.0000
398 G A -0.1296
399 A A -0.2922
400 N A -1.3034
401 P A -0.4064
402 C A 0.0000
403 E A -0.4225
404 H A -0.9854
405 L A 0.0410
406 G A -0.5143
407 R A -1.8109
408 C A 0.1403
409 V A 1.2958
410 N A -0.3274
411 T A -0.2466
412 Q A -0.7118
413 G A -0.5925
414 S A -0.2008
415 F A 0.0000
416 L A 0.7969
417 C A 0.0000
418 Q A -1.0612
419 C A 0.0000
420 G A -0.6562
421 R A -1.1662
422 G A -0.2954
423 Y A 0.3418
424 T A 0.0618
425 G A 0.0000
426 P A -0.3557
427 R A -1.2412
428 C A -0.1325
429 E A -0.7692
430 T A -0.1647
431 D A 0.0000
432 V A 0.0772
433 N A -0.7150
434 E A -0.7228
435 C A 0.2488
436 L A 0.4658
437 S A -0.1353
438 G A -0.0575
439 P A -0.1200
440 C A 0.0000
441 R A -2.0789
442 N A -1.8414
443 Q A -1.4316
444 A A -0.4115
445 T A 0.0118
446 C A 0.1551
447 L A 0.0000
448 D A 0.0000
449 R A -0.9219
450 I A -0.0240
451 G A -0.1985
452 Q A -0.2479
453 F A 0.1763
454 T A 0.0000
455 C A 0.0000
456 I A 0.2142
457 C A 0.3404
458 M A 1.0780
459 A A 0.2150
460 G A -0.0799
461 F A 0.0000
462 T A -0.0058
463 G A -0.4751
464 T A -0.0531
465 Y A 0.5295
466 C A 0.0909
467 E A -0.2617
468 V A 0.7530
469 D A -0.9158
470 I A 0.4124
471 D A -1.3934
472 E A -0.6833
473 C A 0.3710
474 Q A -1.1525
475 S A -0.4772
476 S A -0.2978
477 P A -0.2983
478 C A 0.3449
479 V A 0.3672
480 N A -1.2559
481 G A -0.7850
482 G A -0.4693
483 V A 0.2192
484 C A -0.0437
485 K A -1.9327
486 D A -2.0372
487 R A -1.7590
488 V A 1.1742
489 N A -0.9579
490 G A -0.2549
491 F A 0.5222
492 S A 0.1563
493 C A 0.7246
494 T A 0.2475
495 C A 0.6756
496 P A -0.1477
497 S A -0.2603
498 G A 0.1725
499 F A 2.0618
500 S A 0.0976
501 G A -0.4854
502 S A -0.1523
503 T A -0.0722
504 G A -0.2189
505 Q A 0.0725
506 L A 1.4118
507 D A -1.2200
508 V A 0.9240
509 D A -1.1009
510 E A -1.7199
511 C A 0.4181
512 A A 0.1564
513 S A -0.2054
514 T A -0.1589
515 P A -0.1897
516 C A 0.0156
517 R A -2.0220
518 N A -1.6498
519 G A -0.5599
520 A A -0.2905
521 K A -1.5789
522 C A 0.4918
523 V A 0.8282
524 D A -1.4334
525 Q A -1.5345
526 P A -0.9531
527 D A -1.8626
528 G A -0.5944
529 Y A 0.0699
530 E A -0.7086
531 C A -0.2304
532 R A -1.7719
533 C A -0.1593
534 A A -0.0110
535 E A -0.5533
536 G A 0.1337
537 F A 1.7830
538 E A -0.6189
539 G A -0.6116
540 T A 0.1233
541 L A 1.5848
542 C A 0.4727
543 D A -0.7106
544 R A -2.1963
545 N A -1.0487
546 V A 1.4899
547 D A -0.3613
548 D A -1.2090
549 C A 0.0000
550 S A -0.2175
551 P A -0.4060
552 D A -1.8145
553 P A -0.4478
554 C A 0.0000
555 H A -1.1783
556 H A -1.2321
557 G A -0.8295
558 R A -1.8780
559 C A 0.0947
560 V A 1.6263
561 D A -0.5373
562 G A 0.0892
563 I A 1.9973
564 A A 0.3912
565 S A -0.1557
566 F A 0.1635
567 S A -0.0728
568 C A 0.0000
569 A A 0.0254
570 C A 0.0000
571 A A 0.0288
572 P A -0.2817
573 G A -0.4331
574 Y A 0.3114
575 T A 0.0000
576 G A -0.4591
577 T A -0.4797
578 R A -1.8305
579 C A -0.5470
580 E A -1.8137
581 S A -0.6704
582 Q A -0.8843
583 V A 1.4744
584 D A -0.1362
585 E A -0.7193
586 C A 0.0000
587 R A -1.8750
588 S A -0.5767
589 Q A -0.4643
590 P A -0.3190
591 C A 0.0392
592 R A -0.5785
593 H A -1.1737
594 G A -0.6749
595 G A -0.6488
596 K A -1.8697
597 C A 0.0332
598 L A 0.4524
599 D A -0.9768
600 L A 1.5869
601 V A 1.6144
602 D A -1.6945
603 K A -1.3810
604 Y A 0.7396
605 L A 1.2441
606 C A -0.0304
607 R A -1.9803
608 C A -0.2665
609 P A -0.1357
610 S A -0.2637
611 G A -0.2246
612 T A -0.0724
613 T A -0.1262
614 G A -0.1315
615 V A 1.4543
616 N A -0.9163
617 C A -0.2578
618 E A -1.6935
619 V A 0.2089
620 N A 0.0821
621 I A 0.2624
622 D A -1.7964
623 D A -0.9573
624 C A 0.1093
625 A A 0.0595
626 S A -0.2607
627 N A -0.3981
628 P A -0.2884
629 C A 0.0904
630 T A 0.3419
631 F A 1.8582
632 G A 0.2709
633 V A 1.0708
634 C A 0.0590
635 R A -1.7852
636 D A -0.6400
637 G A 0.0457
638 I A 1.7618
639 N A -1.2500
640 R A -2.0604
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1996 A A 0.0330
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2267 S A -0.3301
2268 E A -1.8826
2269 S A -0.5645
2270 T A -0.0684
2271 P A -0.0961
2272 S A 0.0031
2273 P A -0.0936
2274 A A -0.1288
2275 T A -0.0229
2276 A A 0.0038
2277 T A -0.1244
2278 G A -0.4625
2279 A A -0.0300
2280 M A 0.0000
2281 A A 0.0585
2282 T A 0.0000
2283 T A -0.0080
2284 T A 0.0000
2285 G A -0.4594
2286 A A 0.0807
2287 L A 0.6916
2288 P A -0.0013
2289 A A 0.0000
2290 Q A -0.3821
2291 P A -0.2348
2292 L A 0.3115
2293 P A -0.3230
2294 L A 0.1446
2295 S A -0.0157
2296 V A 0.0000
2297 P A -0.1097
2298 S A -0.1069
2299 S A -0.1481
2300 L A 0.8167
2301 A A 0.0306
2302 Q A -0.9705
2303 A A -0.2036
2304 Q A -1.2053
2305 T A -0.4612
2306 Q A -0.5269
2307 L A 1.2402
2308 G A 0.1342
2309 P A -0.1603
2310 Q A -0.5335
2311 P A -0.4467
2312 E A -0.3396
2313 V A 1.1412
2314 T A 0.1482
2315 P A -0.4489
2316 K A -2.0739
2317 R A -2.2465
2318 Q A -0.5481
2319 V A 1.3210
2320 L A 1.7711
2321 A A 0.3436
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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, -0.2212 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 -0.2212 View CSV PDB
model_2 -0.2275 View CSV PDB
model_3 -0.2288 View CSV PDB
model_4 -0.23 View CSV PDB
model_7 -0.231 View CSV PDB
model_0 -0.2327 View CSV PDB
model_8 -0.2344 View CSV PDB
CABS_average -0.2348 View CSV PDB
model_9 -0.2377 View CSV PDB
model_10 -0.2415 View CSV PDB
model_6 -0.2417 View CSV PDB
model_5 -0.242 View CSV PDB
model_11 -0.2495 View CSV PDB
input -0.2799 View CSV PDB