Project name: R75P

Status: done

Started: 2026-03-23 07:39:16
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGEPCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:17:45)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (11:06:06)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (11:06:49)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (11:07:33)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (11:08:17)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (11:09:02)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (11:09:46)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (11:10:30)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (11:11:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (11:11:58)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (11:12:42)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (11:13:26)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (11:14:10)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (11:14:53)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (11:16:19)
[INFO]       Main:     Simulation completed successfully.                                          (11:17:01)
Show buried residues

Minimal score value
-4.5368
Maximal score value
6.5434
Average score
-0.525
Total score value
-1218.5944

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 0.8224
2 G A -0.5451
3 P A -0.5641
4 G A -1.4218
5 A A -0.8129
6 R A -2.3087
7 G A -2.0778
8 R A -2.0672
9 R A -2.6850
10 R A -2.0734
11 R A -2.0798
12 R A -1.8871
13 R A -1.6041
14 P A -0.7646
15 M A -0.2080
16 S A -0.1781
17 P A -0.3608
18 P A -0.4409
19 P A 0.0000
20 P A 0.0000
21 P A -0.2724
22 P A -0.1690
23 P A 0.0871
24 V A 1.2441
25 R A -0.1683
26 A A -0.0526
27 L A -0.2587
28 P A -0.1713
29 L A 1.0932
30 L A 2.1292
31 L A 2.5017
32 L A 2.0800
33 L A 1.9804
34 A A 0.6287
35 G A -0.2194
36 P A 0.1883
37 G A -0.0740
38 A A 0.0814
39 A A 0.0000
40 A A 0.0000
41 P A -0.4400
42 P A -0.2118
43 C A 0.3570
44 L A 1.1728
45 D A -0.1511
46 G A -0.7784
47 S A -0.6713
48 P A -1.0530
49 C A -0.8975
50 A A -0.4036
51 N A -0.5220
52 G A 0.0000
53 G A 0.0000
54 R A -1.1112
55 C A 0.0000
56 T A -0.2267
57 Q A -0.8594
58 L A -0.5077
59 P A -0.7391
60 S A -1.4058
61 R A -2.7158
62 E A -2.7097
63 A A -1.4501
64 A A -0.9569
65 C A -0.0642
66 L A 0.6312
67 C A 0.3273
68 P A 0.0441
69 P A -0.2967
70 G A 0.0000
71 W A 0.0000
72 V A 0.0000
73 G A -0.2182
74 E A -0.4019
75 P A 0.0157
76 C A 0.0000
77 Q A -0.1570
78 L A -0.8815
79 E A -1.5669
80 D A 0.0000
81 P A -1.2113
82 C A 0.0000
83 H A -1.5596
84 S A -0.9821
85 G A -0.6215
86 P A -0.7932
87 C A 0.0000
88 A A -1.6020
89 G A -1.7273
90 R A -2.3559
91 G A -1.8184
92 V A -1.5776
93 C A -1.6578
94 Q A -1.7190
95 S A -0.8664
96 S A -0.4131
97 V A 0.6015
98 V A 0.7370
99 A A 0.0497
100 G A -0.4767
101 T A -0.3567
102 A A 0.0000
103 R A -1.6214
104 F A -1.1199
105 S A -1.4775
106 C A -1.8538
107 R A -2.4653
108 C A -1.6604
109 P A -1.2679
110 R A -1.8577
111 G A -0.4830
112 F A -0.4220
113 R A -1.8528
114 G A -2.0332
115 P A -1.7324
116 D A -2.4827
117 C A -1.2655
118 S A -0.7177
119 L A -0.2274
120 P A -0.5281
121 D A 0.0000
122 P A -0.6378
123 C A 0.3854
124 L A 1.1258
125 S A 0.7489
126 S A 0.0611
127 P A -0.2713
128 C A 0.0000
129 A A -0.8236
130 H A -1.1005
131 G A -1.0839
132 A A -0.8391
133 R A -0.2812
134 C A 0.6400
135 S A 0.9142
136 V A 1.4980
137 G A -0.0641
138 P A -1.7156
139 D A -2.4076
140 G A -1.5836
141 R A -1.2208
142 F A 0.8776
143 L A 1.6185
144 C A 1.0957
145 S A 0.5626
146 C A 0.7044
147 P A 0.3662
148 P A 0.3444
149 G A 0.0000
150 Y A 0.5628
151 Q A -1.0767
152 G A -1.4020
153 R A -2.2559
154 S A -1.2686
155 C A -0.5312
156 R A 0.0000
157 S A 0.0000
158 D A 0.3811
159 V A 0.9304
160 D A -0.6602
161 E A -1.2313
162 C A -1.0615
163 R A -1.4911
164 V A 0.2981
165 G A -1.2138
166 E A -2.3088
167 P A -1.4302
168 C A -1.6739
169 R A -2.4711
170 H A 0.0000
171 G A -1.4122
172 G A -1.1419
173 T A 0.0000
174 C A -1.1711
175 L A -0.3963
176 N A -1.4033
177 T A -1.0236
178 P A -1.0757
179 G A -1.1220
180 S A -1.0699
181 F A -1.4276
182 R A -2.0430
183 C A -1.1055
184 Q A -1.1281
185 C A 0.0000
186 P A -0.5653
187 A A -0.6641
188 G A -1.6706
189 Y A -1.5483
190 T A -1.2115
191 G A -0.8590
192 P A -0.0009
193 L A 0.8223
194 C A 0.0579
195 E A -1.9411
196 N A -2.0327
197 P A -1.4849
198 A A -0.6910
199 V A 0.0000
200 P A -0.3888
201 C A -0.6935
202 A A -0.3475
203 P A -0.9287
204 S A -0.7371
205 P A -0.9648
206 C A -1.3899
207 R A -2.1985
208 N A 0.0000
209 G A -0.7028
210 G A -0.8325
211 T A -0.7438
212 C A -1.7548
213 R A -2.7814
214 Q A -2.7139
215 S A -1.9455
216 G A -1.5857
217 D A -1.8951
218 L A -0.5405
219 T A -0.9441
220 Y A 0.0000
221 D A -2.2766
222 C A 0.0000
223 A A -0.5053
224 C A 0.0000
225 L A 1.0595
226 P A 0.8444
227 G A -0.0259
228 F A -0.4610
229 E A -2.2203
230 G A -2.1522
231 Q A -2.3072
232 N A -2.2356
233 C A -2.2366
234 E A -2.7366
235 V A 0.0000
236 N A 0.0000
237 V A 0.7448
238 D A 0.1917
239 D A -1.4249
240 C A 0.0000
241 P A -1.0815
242 G A -1.5681
243 H A -1.9107
244 R A -2.1358
245 C A -0.9830
246 L A 0.0684
247 N A -0.7322
248 G A -1.0989
249 G A -0.7451
250 T A 0.0000
251 C A 0.0000
252 V A 1.1700
253 D A 0.1886
254 G A 0.0000
255 V A 0.7589
256 N A -1.0273
257 T A -0.1735
258 Y A 0.2915
259 N A -0.5067
260 C A -0.4799
261 Q A -1.1410
262 C A 0.0000
263 P A -0.6533
264 P A -0.7760
265 E A -1.4328
266 W A -0.3125
267 T A -0.7139
268 G A -0.9131
269 Q A -0.3529
270 F A 0.7386
271 C A 0.0000
272 T A -0.7731
273 E A -0.9047
274 D A -0.0734
275 V A 1.1158
276 D A 0.0249
277 E A -0.2960
278 C A 0.0000
279 Q A -1.1083
280 L A -0.1653
281 Q A -0.4911
282 P A -1.2106
283 N A -1.4849
284 A A -0.7703
285 C A -0.0798
286 H A -0.1008
287 N A -0.2154
288 G A -0.7899
289 G A -0.3398
290 T A 0.5671
291 C A 0.0000
292 F A 1.4956
293 N A 0.1240
294 T A 0.3305
295 L A 1.1842
296 G A 0.0159
297 G A -0.2989
298 H A -0.2280
299 S A 0.1538
300 C A 0.7306
301 V A 1.4485
302 C A 0.3900
303 V A 0.2185
304 N A -0.3529
305 G A -1.0122
306 W A -0.9517
307 T A -1.2146
308 G A -1.0570
309 E A -1.9802
310 S A -1.0752
311 C A -0.6906
312 S A -0.5800
313 Q A 0.0000
314 N A -2.0759
315 I A 0.0000
316 D A -1.9989
317 D A -1.2103
318 C A -0.1217
319 A A 0.5333
320 T A 0.5394
321 A A 0.6726
322 V A 1.5116
323 C A 1.5896
324 F A 2.4949
325 H A 1.1957
326 G A 0.0000
327 A A 1.0035
328 T A 0.4473
329 C A 0.5517
330 H A -0.4460
331 D A -0.7423
332 R A -1.0431
333 V A 0.0000
334 A A 0.0000
335 S A -0.4089
336 F A 0.3213
337 Y A 1.0011
338 C A 0.0000
339 A A 0.7452
340 C A 0.0000
341 P A 0.0000
342 M A 0.8915
343 G A -0.1002
344 K A -0.7222
345 T A 0.0000
346 G A 0.0000
347 L A 1.7723
348 L A 1.5446
349 C A 0.0000
350 H A 0.0000
351 L A 0.4136
352 D A -1.1053
353 D A -1.3458
354 A A -1.0759
355 C A 0.0000
356 V A -0.1771
357 S A -0.8621
358 N A -1.1669
359 P A -0.5398
360 C A -0.7652
361 H A -1.8812
362 E A -3.8618
363 D A -3.5542
364 A A 0.0000
365 I A -0.6826
366 C A 0.0000
367 D A -0.6999
368 T A 0.0000
369 N A -1.0288
370 P A -0.9171
371 V A -0.8770
372 N A -2.4095
373 G A -2.0079
374 R A -2.4452
375 A A -1.0724
376 I A 0.2942
377 C A 0.0000
378 T A 0.1454
379 C A -0.5215
380 P A -0.9258
381 P A -1.0068
382 G A -0.9493
383 F A -0.3548
384 T A 0.0185
385 G A 0.0000
386 G A -0.5314
387 A A 0.1144
388 C A 0.0000
389 D A 0.0000
390 Q A -0.8165
391 D A -1.6402
392 V A 0.0000
393 D A -2.1269
394 E A -1.1825
395 C A -0.1233
396 S A 0.6108
397 I A 1.4952
398 G A -0.0311
399 A A 0.1024
400 N A -0.5397
401 P A -0.7360
402 C A -0.6927
403 E A -1.0761
404 H A -0.8409
405 L A 0.3913
406 G A -0.2203
407 R A -0.6586
408 C A -0.1242
409 V A -0.0946
410 N A -1.2993
411 T A -1.0877
412 Q A -1.7770
413 G A 0.0000
414 S A 0.0000
415 F A 0.0000
416 L A -0.2473
417 C A 0.0000
418 Q A -1.4498
419 C A -1.4404
420 G A -1.2603
421 R A -1.7565
422 G A -1.5837
423 Y A -1.4139
424 T A -1.1686
425 G A -1.0463
426 P A -0.7585
427 R A 0.0000
428 C A 0.0000
429 E A -1.6839
430 T A -1.9783
431 D A -2.2931
432 V A -1.3141
433 N A -1.9550
434 E A -1.7566
435 C A -0.6138
436 L A 0.2670
437 S A -0.4025
438 G A -0.7090
439 P A -0.6710
440 C A -1.4657
441 R A -3.0200
442 N A -2.5315
443 Q A -2.0604
444 A A -0.0446
445 T A 1.0037
446 C A 0.9586
447 L A 0.9563
448 D A -1.0294
449 R A -1.5376
450 I A 0.3302
451 G A -0.7096
452 Q A -1.2316
453 F A 0.0000
454 T A 0.3672
455 C A 0.0000
456 I A 2.5276
457 C A 0.9236
458 M A 0.1905
459 A A -0.1817
460 G A -0.0970
461 F A 1.2974
462 T A 0.1972
463 G A -0.0940
464 T A 0.2270
465 Y A 0.9262
466 C A 0.0000
467 E A -0.9932
468 V A 0.0000
469 D A -1.7948
470 I A 0.0000
471 D A -2.3626
472 E A 0.0000
473 C A 0.0000
474 Q A -1.5330
475 S A -0.9211
476 S A -0.1320
477 P A -0.1198
478 C A 0.5370
479 V A 0.8607
480 N A -0.5669
481 G A -0.2606
482 G A 0.2378
483 V A 0.7937
484 C A -0.4223
485 K A -1.8728
486 D A -2.8289
487 R A -2.6743
488 V A -1.4713
489 N A -1.2227
490 G A -0.7306
491 F A 0.3521
492 S A -0.0213
493 C A 0.4587
494 T A 0.6771
495 C A 0.4485
496 P A -0.0162
497 S A 0.1187
498 G A 0.3837
499 F A 1.6988
500 S A 0.5663
501 G A -0.0551
502 S A -0.2767
503 T A 0.0326
504 C A 0.5530
505 Q A -0.2334
506 L A 0.8256
507 D A -0.5737
508 V A -0.2071
509 D A -2.6302
510 E A -2.7399
511 C A 0.0000
512 A A -0.6623
513 S A -0.7237
514 T A -0.2543
515 P A -0.4705
516 C A -1.0294
517 R A -2.0850
518 N A -2.1852
519 G A -1.8291
520 A A -2.0003
521 K A -2.3717
522 C A -1.1948
523 V A 0.0900
524 D A -1.6325
525 Q A -2.2036
526 P A -2.0803
527 D A -2.8498
528 G A -1.9029
529 Y A -1.2832
530 E A -1.3482
531 C A 0.0000
532 R A -1.9773
533 C A -2.1153
534 A A -1.2535
535 E A 0.0000
536 G A -0.8050
537 F A -2.1661
538 E A -2.8598
539 G A -2.0433
540 T A -1.1240
541 L A 0.1165
542 C A -1.3833
543 D A -3.0016
544 R A -3.1232
545 N A -2.1487
546 V A 0.3625
547 D A -0.4267
548 D A -1.0994
549 C A -0.9649
550 S A -1.2391
551 P A -1.8891
552 D A -2.5942
553 P A -1.9864
554 C A -2.0604
555 H A -2.1110
556 H A -1.9791
557 G A -1.7543
558 R A -1.9895
559 C A -0.3997
560 V A 0.2771
561 D A -0.6485
562 G A 0.1848
563 I A 1.4367
564 A A 0.5438
565 S A 0.4086
566 F A 0.6782
567 S A -0.5827
568 C A 0.0000
569 A A -0.9279
570 C A 0.0000
571 A A -1.0584
572 P A -0.5645
573 G A -0.3887
574 Y A -0.5029
575 T A -1.1100
576 G A -1.1370
577 T A -0.9479
578 R A -2.1183
579 C A 0.0000
580 E A -2.5849
581 S A -1.8485
582 Q A -1.1196
583 V A -0.9121
584 D A -2.0908
585 E A -1.9462
586 C A 0.0000
587 R A -2.3407
588 S A -1.8179
589 Q A -1.6856
590 P A -1.3034
591 C A -1.8732
592 R A -2.3805
593 H A -2.2080
594 G A -1.5760
595 G A -1.7792
596 K A -2.0801
597 C A -0.6484
598 L A 0.3971
599 D A 0.1603
600 L A 1.3567
601 V A 0.0511
602 D A -1.3023
603 K A -1.3042
604 Y A -0.3687
605 L A 0.7723
606 C A -0.4833
607 R A -1.5152
608 C A -1.3662
609 P A -1.3485
610 S A -0.6669
611 G A -0.2806
612 T A 0.6462
613 T A 0.8552
614 G A 0.7174
615 V A 1.1646
616 N A -0.3577
617 C A 0.0000
618 E A 0.0000
619 V A 1.8786
620 N A 1.0435
621 I A 0.8581
622 D A -1.3990
623 D A -2.4808
624 C A 0.0000
625 A A -1.0009
626 S A -1.0408
627 N A -0.9757
628 P A -0.2586
629 C A 0.6877
630 T A 0.3304
631 F A 1.2966
632 G A 1.0148
633 V A 0.9967
634 C A -0.1333
635 R A -1.9849
636 D A -1.4556
637 G A -0.9236
638 I A 0.7114
639 N A -1.3172
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2265 D A -1.3923
2266 W A -0.2073
2267 S A -0.8649
2268 E A -1.7533
2269 S A 0.0000
2270 T A -0.9293
2271 P A 0.0000
2272 S A -0.3413
2273 P A -0.0437
2274 A A -0.0360
2275 T A 0.0000
2276 A A 0.0810
2277 T A -0.3462
2278 G A -0.4702
2279 A A -0.4958
2280 M A 0.0000
2281 A A 0.0000
2282 T A -0.5527
2283 T A -0.6378
2284 T A -0.3115
2285 G A -0.5179
2286 A A -0.4184
2287 L A -0.0247
2288 P A -0.1795
2289 A A 0.3976
2290 Q A -0.1184
2291 P A 0.0000
2292 L A 1.3928
2293 P A 0.4821
2294 L A 0.5537
2295 S A 0.2102
2296 V A 0.2942
2297 P A 0.0432
2298 S A 0.0632
2299 S A 0.3988
2300 L A 0.8957
2301 A A -0.1304
2302 Q A -1.2654
2303 A A -1.2584
2304 Q A -1.7811
2305 T A -0.9533
2306 Q A -0.8814
2307 L A 0.4736
2308 G A -0.4650
2309 P A -1.0792
2310 Q A -1.7858
2311 P A -1.4863
2312 E A -1.4381
2313 V A 0.4988
2314 T A -0.5908
2315 P A -1.4135
2316 K A -2.5649
2317 R A -2.7986
2318 Q A -1.7186
2319 V A 0.4529
2320 L A 1.2827
2321 A A 0.5768
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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, -0.525 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_3 -0.525 View CSV PDB
model_8 -0.544 View CSV PDB
model_5 -0.5457 View CSV PDB
model_0 -0.5512 View CSV PDB
model_6 -0.5521 View CSV PDB
model_1 -0.5594 View CSV PDB
model_2 -0.5606 View CSV PDB
CABS_average -0.5659 View CSV PDB
model_7 -0.5682 View CSV PDB
model_9 -0.5796 View CSV PDB
model_10 -0.5842 View CSV PDB
model_11 -0.5957 View CSV PDB
model_4 -0.6246 View CSV PDB
input -0.75 View CSV PDB