Project name: C1304P_4D

Status: done

Started: 2026-05-14 00:43:46
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPPQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:34:42)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (16:33:22)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (16:34:07)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (16:34:53)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (16:35:38)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (16:36:23)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (16:37:08)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (16:37:54)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (16:38:39)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (16:39:24)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (16:40:09)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (16:40:54)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (16:41:39)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (16:42:24)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (16:43:57)
[INFO]       Main:     Simulation completed successfully.                                          (16:44:42)
Show buried residues

Minimal score value
-4.4691
Maximal score value
3.5535
Average score
-0.534
Total score value
-1239.3532

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 0.4986
2 G A -0.0440
3 P A -0.4765
4 G A -0.4771
5 A A -0.8896
6 R A -1.6060
7 G A -1.8320
8 R A -3.1013
9 R A -2.5716
10 R A -2.5282
11 R A -2.9933
12 R A -2.3600
13 R A -2.4493
14 P A -1.0551
15 M A -0.3744
16 S A -0.6924
17 P A -0.3308
18 P A -0.5140
19 P A -0.3578
20 P A -0.4293
21 P A -0.4692
22 P A -0.5381
23 P A -0.4474
24 V A 0.0207
25 R A -1.4824
26 A A -0.8971
27 L A 0.0000
28 P A -0.3925
29 L A 0.9776
30 L A 0.0000
31 L A 2.4713
32 L A 2.3050
33 L A 2.0384
34 A A 0.7351
35 G A 0.0059
36 P A -0.5913
37 G A -0.9550
38 A A -0.9326
39 A A -0.9369
40 A A -0.8212
41 P A -1.0017
42 P A -0.7207
43 C A 0.0000
44 L A 0.0000
45 D A -0.5024
46 G A -1.0203
47 S A 0.0000
48 P A 0.0000
49 C A -0.4025
50 A A -0.7826
51 N A -1.5487
52 G A -1.0195
53 G A -0.5622
54 R A 0.0000
55 C A 0.8755
56 T A 0.0692
57 Q A -0.2508
58 L A 0.6895
59 P A -0.3144
60 S A -0.9045
61 R A -1.7372
62 E A -1.8811
63 A A 0.0000
64 A A -0.3961
65 C A 0.0000
66 L A 1.0866
67 C A 0.0000
68 P A -0.2820
69 P A -0.8726
70 G A -1.2415
71 W A 0.0000
72 V A -0.0026
73 G A 0.0000
74 E A -0.7747
75 R A -1.0696
76 C A 0.0000
77 Q A -1.0940
78 L A 0.0000
79 E A -2.4542
80 D A -1.8447
81 P A -1.0412
82 C A -0.4205
83 H A -0.9797
84 S A -1.1140
85 G A -1.2871
86 P A -1.2781
87 C A -1.1538
88 A A -0.9182
89 G A -1.5299
90 R A -2.5901
91 G A -1.9984
92 V A 0.0000
93 C A -1.1877
94 Q A -1.1903
95 S A -0.6392
96 S A -0.4830
97 V A -0.5581
98 V A -0.4913
99 A A -0.7199
100 G A -1.1190
101 T A -0.8618
102 A A -1.0949
103 R A -1.4369
104 F A -0.5551
105 S A -0.5662
106 C A -0.6280
107 R A -2.1511
108 C A 0.0000
109 P A -1.6230
110 R A -2.0169
111 G A -0.6468
112 F A 0.8210
113 R A -0.4559
114 G A -0.7269
115 P A -1.0349
116 D A -1.0403
117 C A -0.5610
118 S A -0.8969
119 L A -0.4843
120 P A -0.3292
121 D A -0.6573
122 P A -0.0648
123 C A 0.5301
124 L A 1.2237
125 S A 0.4921
126 S A 0.1075
127 P A -0.7218
128 C A -0.9368
129 A A -1.1721
130 H A -1.8158
131 G A -1.1896
132 A A -0.9431
133 R A -1.6052
134 C A 0.0473
135 S A 0.1842
136 V A -0.2946
137 G A -0.7463
138 P A -1.4501
139 D A -2.3870
140 G A -2.0198
141 R A -2.1863
142 F A 0.0404
143 L A 0.9237
144 C A 0.0000
145 S A -0.1848
146 C A 0.0000
147 P A 0.0000
148 P A 0.0000
149 G A -0.9814
150 Y A -1.4596
151 Q A -1.9748
152 G A -1.4989
153 R A -1.9571
154 S A -0.9061
155 C A 0.0000
156 R A -1.9735
157 S A -2.2442
158 D A -2.8527
159 V A 0.0000
160 D A -1.8763
161 E A -1.2298
162 C A 0.0000
163 R A -1.6615
164 V A 0.0799
165 G A -0.7953
166 E A -2.0817
167 P A -2.0336
168 C A -1.8346
169 R A -2.8746
170 H A -2.4809
171 G A -1.3882
172 G A -1.2411
173 T A -1.2131
174 C A -0.6655
175 L A -0.2432
176 N A -1.0093
177 T A -0.9077
178 P A -1.0144
179 G A -1.4691
180 S A 0.0000
181 F A -0.1037
182 R A -0.4967
183 C A 0.0000
184 Q A -0.9377
185 C A -1.2321
186 P A -1.0402
187 A A -0.2635
188 G A 0.4061
189 Y A 0.2705
190 T A -0.0242
191 G A -0.2817
192 P A 0.0000
193 L A -0.1841
194 C A -0.9599
195 E A -1.8932
196 N A -1.2605
197 P A 0.0000
198 A A 0.0000
199 V A -0.0574
200 P A 0.0000
201 C A 0.1338
202 A A 0.0626
203 P A -0.3879
204 S A -0.6007
205 P A -0.7684
206 C A 0.0000
207 R A -0.5018
208 N A -0.8335
209 G A -0.2607
210 G A -0.7036
211 T A -0.7240
212 C A -1.0259
213 R A -2.4159
214 Q A -1.6618
215 S A -1.2375
216 G A -0.7851
217 D A -0.2486
218 L A 1.1209
219 T A -0.0875
220 Y A -0.7653
221 D A -1.6528
222 C A -0.4823
223 A A -0.2733
224 C A 0.0000
225 L A 0.1249
226 P A -0.1329
227 G A -0.3122
228 F A 0.6395
229 E A -1.4802
230 G A -1.3877
231 Q A -1.3994
232 N A -1.3348
233 C A 0.0000
234 E A -0.9190
235 V A 0.0000
236 N A -0.7482
237 V A -0.5825
238 D A -2.2828
239 D A -1.8269
240 C A 0.0000
241 P A -1.7220
242 G A -1.6575
243 H A -1.6315
244 R A -2.1293
245 C A -0.8126
246 L A -0.4814
247 N A -1.4804
248 G A -0.9472
249 G A -0.6459
250 T A 0.0000
251 C A 0.0000
252 V A 0.0000
253 D A -0.9152
254 G A 0.0000
255 V A 0.0000
256 N A -0.4214
257 T A -0.2550
258 Y A 0.1672
259 N A 0.0000
260 C A 0.2129
261 Q A -0.1074
262 C A -0.4227
263 P A -0.4094
264 P A -1.1809
265 E A -2.1299
266 W A -1.2981
267 T A -0.9734
268 G A -0.8880
269 Q A -0.6666
270 F A 0.8714
271 C A 0.0000
272 T A 0.0000
273 E A -1.1600
274 D A -1.2484
275 V A -0.9941
276 D A -1.4000
277 E A -1.0067
278 C A -0.4981
279 Q A -1.2315
280 L A -0.0986
281 Q A -0.6431
282 P A -0.7128
283 N A -0.7005
284 A A 0.0241
285 C A 0.2710
286 H A 0.0000
287 N A -0.9619
288 G A -0.6181
289 G A 0.1708
290 T A 0.9390
291 C A 0.9844
292 F A 1.3678
293 N A -0.4149
294 T A -0.0999
295 L A 0.1718
296 G A -0.5160
297 G A -0.5693
298 H A -0.6584
299 S A -0.2802
300 C A 0.0000
301 V A 0.6411
302 C A 0.0000
303 V A 0.7837
304 N A 0.0000
305 G A -0.2776
306 W A 0.0000
307 T A -0.7022
308 G A -0.7860
309 E A -1.6238
310 S A -1.0652
311 C A 0.0000
312 S A -0.3845
313 Q A 0.0000
314 N A -1.1129
315 I A 0.0000
316 D A -2.3364
317 D A 0.0000
318 C A 0.0000
319 A A -1.1042
320 T A -1.3003
321 A A 0.0000
322 V A -0.5069
323 C A 0.0000
324 F A -0.1518
325 H A -0.9150
326 G A -0.6336
327 A A -0.3741
328 T A -0.3807
329 C A 0.0000
330 H A -1.0955
331 D A 0.0000
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 0.0334
338 C A 0.0000
339 A A 0.1016
340 C A -0.0962
341 P A -0.0714
342 M A 0.3273
343 G A -0.6506
344 K A -0.7503
345 T A -0.2502
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.1662
350 H A 0.0000
351 L A 0.0000
352 D A -1.6226
353 D A -1.4727
354 A A -0.2458
355 C A 0.0000
356 V A 1.3090
357 S A 0.2785
358 N A -0.0416
359 P A -0.2596
360 C A -0.6459
361 H A -1.7717
362 E A -2.1197
363 D A -2.0941
364 A A 0.0000
365 I A 0.0000
366 C A -0.3758
367 D A -0.7465
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A -0.8476
372 N A -1.5628
373 G A -1.9075
374 R A -2.5185
375 A A -1.4846
376 I A -0.8514
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.6159
381 P A -0.4645
382 G A 0.0000
383 F A -0.1134
384 T A 0.0000
385 G A 0.0000
386 G A -0.8599
387 A A -0.5333
388 C A -0.8995
389 D A -1.9149
390 Q A -1.3425
391 D A 0.0000
392 V A 0.0000
393 D A 0.0000
394 E A 0.0000
395 C A 0.0000
396 S A 0.0000
397 I A -0.2738
398 G A -0.8142
399 A A 0.0000
400 N A 0.0000
401 P A 0.0000
402 C A 0.0000
403 E A -1.4158
404 H A -1.3307
405 L A 0.0000
406 G A -0.5658
407 R A -0.3859
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.1466
412 Q A -1.0830
413 G A -0.6167
414 S A -0.1678
415 F A 0.0790
416 L A 0.0000
417 C A 0.0000
418 Q A -0.3405
419 C A -0.9302
420 G A -1.1500
421 R A -2.0129
422 G A 0.0000
423 Y A -1.3331
424 T A -1.2878
425 G A 0.0000
426 P A -0.9559
427 R A -1.3935
428 C A 0.0000
429 E A -2.1316
430 T A -1.2621
431 D A 0.0000
432 V A -1.1123
433 N A -1.4928
434 E A -1.2416
435 C A 0.0521
436 L A 0.6439
437 S A -0.0991
438 G A -0.3950
439 P A -0.2102
440 C A -0.2578
441 R A -0.8551
442 N A -1.4929
443 Q A -0.8083
444 A A -0.1665
445 T A 0.0000
446 C A 0.6461
447 L A 0.4742
448 D A -0.8538
449 R A -1.4659
450 I A 0.3194
451 G A -0.6468
452 Q A -1.3553
453 F A -0.0989
454 T A 0.3540
455 C A 0.8509
456 I A 1.0133
457 C A 0.0000
458 M A 0.0000
459 A A 0.0000
460 G A -0.0044
461 F A 0.9647
462 T A 0.0271
463 G A 0.1213
464 T A 0.5840
465 Y A 1.1440
466 C A 0.0000
467 E A -1.2180
468 V A -0.6536
469 D A -0.7880
470 I A -0.2182
471 D A -1.1739
472 E A -2.1737
473 C A 0.0000
474 Q A -1.5762
475 S A -1.4348
476 S A -0.9170
477 P A -0.6552
478 C A 0.6673
479 V A 1.5771
480 N A 0.9316
481 G A 0.0341
482 G A 0.2267
483 V A 0.7836
484 C A -0.4650
485 K A -1.8339
486 D A -2.4028
487 R A -2.1252
488 V A -0.3285
489 N A -1.3895
490 G A 0.0000
491 F A -0.5613
492 S A -0.7854
493 C A -0.0144
494 T A 0.2888
495 C A 0.8681
496 P A 0.4260
497 S A -0.1136
498 G A -0.3372
499 F A 0.5606
500 S A -0.2996
501 G A -0.6028
502 S A -0.3801
503 T A -0.6386
504 C A 0.0000
505 Q A -0.5831
506 L A 0.0000
507 D A 0.0000
508 V A -0.1157
509 D A -1.4644
510 E A -1.3635
511 C A 0.0000
512 A A -0.5704
513 S A -0.7554
514 T A -0.8603
515 P A -0.6758
516 C A -1.1789
517 R A -2.6692
518 N A -2.3707
519 G A -1.9033
520 A A -1.4271
521 K A -1.8268
522 C A -1.0714
523 V A -0.6681
524 D A -1.2915
525 Q A -1.4200
526 P A -1.3094
527 D A -1.7542
528 G A -1.2811
529 Y A -0.4381
530 E A -1.5619
531 C A -1.6934
532 R A -2.6196
533 C A -1.4064
534 A A -1.0225
535 E A -1.9849
536 G A -1.2312
537 F A -0.0999
538 E A -2.0261
539 G A -1.1247
540 T A -0.1970
541 L A 1.4102
542 C A 0.4971
543 D A -1.1761
544 R A -0.7826
545 N A -1.2476
546 V A -0.3062
547 D A -2.0284
548 D A -2.5746
549 C A -1.7143
550 S A -1.5530
551 P A -2.0872
552 D A -2.3294
553 P A -1.7043
554 C A -2.0910
555 H A -2.1719
556 H A -1.8857
557 G A -1.5727
558 R A -1.8235
559 C A -0.7707
560 V A 0.4144
561 D A -0.9685
562 G A -0.6050
563 I A 0.2442
564 A A -0.4701
565 S A -0.9193
566 F A -0.6085
567 S A -0.9433
568 C A 0.0000
569 A A -1.1236
570 C A 0.0000
571 A A 0.0000
572 P A -0.5613
573 G A -0.2359
574 Y A -0.1939
575 T A -0.5196
576 G A -1.0900
577 T A -1.4237
578 R A -2.4161
579 C A 0.0000
580 E A -2.4264
581 S A -1.3871
582 Q A -0.6390
583 V A 0.1602
584 D A -2.3165
585 E A -2.7020
586 C A -1.6832
587 R A -2.4454
588 S A -1.5328
589 Q A -1.2476
590 P A -0.6286
591 C A 0.6106
592 R A -0.4034
593 H A -0.3363
594 G A -0.8528
595 G A -1.2583
596 K A -1.9215
597 C A -0.4199
598 L A 1.0690
599 D A 0.0236
600 L A 1.5764
601 V A 0.8704
602 D A -1.5005
603 K A -1.1279
604 Y A -0.1591
605 L A 1.1162
606 C A -0.1946
607 R A -1.4317
608 C A -0.7821
609 P A -0.7936
610 S A -0.7159
611 G A -0.2023
612 T A -0.1210
613 T A -0.1634
614 G A -0.4466
615 V A 0.2799
616 N A -0.9544
617 C A -1.0042
618 E A -1.6596
619 V A 0.0000
620 N A 0.0000
621 I A 0.8592
622 D A -0.9116
623 D A -1.9314
624 C A -0.6417
625 A A -0.4943
626 S A -0.4860
627 N A -0.9882
628 P A -0.1025
629 C A 1.3300
630 T A 0.9167
631 F A 2.3119
632 G A 1.3622
633 V A 1.7744
634 C A 0.5697
635 R A -1.2531
636 D A 0.0000
637 G A -0.8509
638 I A 0.3545
639 N A -1.5827
640 R A -2.5288
641 Y A 0.0000
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2270 T A 0.0000
2271 P A 0.0521
2272 S A 0.3851
2273 P A -0.1491
2274 A A 0.0901
2275 T A 0.1991
2276 A A 0.0985
2277 T A 0.3154
2278 G A 0.2889
2279 A A 0.0000
2280 M A 0.9777
2281 A A 0.5455
2282 T A -0.0344
2283 T A -0.2266
2284 T A -0.6398
2285 G A -0.2454
2286 A A 0.0000
2287 L A 1.3554
2288 P A 0.5763
2289 A A 0.4341
2290 Q A 0.2879
2291 P A 0.6883
2292 L A 1.7969
2293 P A 1.3191
2294 L A 2.1072
2295 S A 1.8013
2296 V A 1.8825
2297 P A 0.9779
2298 S A 0.4041
2299 S A 0.6355
2300 L A 1.2754
2301 A A 0.3299
2302 Q A -0.7658
2303 A A -0.9191
2304 Q A -1.4058
2305 T A -0.9418
2306 Q A -0.8625
2307 L A 0.5190
2308 G A -0.4240
2309 P A -1.0212
2310 Q A -1.7275
2311 P A -1.4059
2312 E A -1.6880
2313 V A -0.2264
2314 T A -1.2440
2315 P A -1.7547
2316 K A -3.4071
2317 R A -3.3196
2318 Q A -1.8765
2319 V A 0.6633
2320 L A 2.0269
2321 A A 1.0778
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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, -0.534 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_2 -0.534 View CSV PDB
model_9 -0.5342 View CSV PDB
model_0 -0.5505 View CSV PDB
model_7 -0.5534 View CSV PDB
model_4 -0.5709 View CSV PDB
model_1 -0.577 View CSV PDB
model_8 -0.5845 View CSV PDB
CABS_average -0.5872 View CSV PDB
model_3 -0.5941 View CSV PDB
model_10 -0.597 View CSV PDB
model_6 -0.6216 View CSV PDB
model_5 -0.6296 View CSV PDB
model_11 -0.7001 View CSV PDB
input -0.737 View CSV PDB