Project name: P167S_4D

Status: done

Started: 2026-05-15 06:34:57
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGESCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[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                                                (00:18:01)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (17:15:11)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (17:16:13)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (17:17:10)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (17:18:06)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (17:19:05)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (17:20:04)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (17:21:03)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (17:22:04)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (17:23:04)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (17:24:05)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (17:25:03)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (17:26:02)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (17:27:05)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (17:29:02)
[INFO]       Main:     Simulation completed successfully.                                          (17:30:01)
Show buried residues

Minimal score value
-4.2138
Maximal score value
4.4391
Average score
-0.5425
Total score value
-1259.0497

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 0.0286
2 G A -0.8750
3 P A -0.9106
4 G A -0.9096
5 A A -1.0425
6 R A -1.7127
7 G A -1.5164
8 R A -2.1217
9 R A -2.4419
10 R A -2.0081
11 R A -2.5693
12 R A -1.9689
13 R A 0.0000
14 P A -0.3720
15 M A 0.5308
16 S A 0.0781
17 P A -0.3203
18 P A -0.5362
19 P A 0.0000
20 P A 0.0000
21 P A 0.0000
22 P A -0.1965
23 P A -0.4645
24 V A -1.0768
25 R A -2.0549
26 A A -1.0856
27 L A 0.0000
28 P A -0.8081
29 L A -0.1537
30 L A 0.4332
31 L A 0.0000
32 L A 0.7230
33 L A 0.4664
34 A A -0.0254
35 G A 0.0670
36 P A -0.2555
37 G A -0.4083
38 A A 0.0000
39 A A -0.4980
40 A A 0.0000
41 P A 0.0000
42 P A -0.5360
43 C A -0.1218
44 L A 0.4066
45 D A -1.4809
46 G A -0.9046
47 S A -0.6028
48 P A -0.2574
49 C A -0.2755
50 A A -0.5152
51 N A -0.8774
52 G A -0.8589
53 G A -1.2820
54 R A -1.7208
55 C A -0.1422
56 T A -0.6745
57 Q A -0.9704
58 L A -0.0561
59 P A -0.9131
60 S A -1.2606
61 R A -2.3225
62 E A -1.8079
63 A A 0.0000
64 A A -0.6710
65 C A 0.0000
66 L A -0.0822
67 C A 0.0000
68 P A -0.6728
69 P A -0.4490
70 G A -0.5421
71 W A -0.1706
72 V A -0.5389
73 G A -1.3137
74 E A -1.6724
75 R A 0.0000
76 C A 0.0000
77 Q A -0.5272
78 L A -0.6310
79 E A -1.5649
80 D A -1.2294
81 P A -0.7788
82 C A -0.3848
83 H A -1.0300
84 S A -0.6172
85 G A -0.7096
86 P A -0.4875
87 C A -0.5856
88 A A -1.0155
89 G A -1.5354
90 R A -2.3245
91 G A -1.2105
92 V A 0.0939
93 C A -0.0685
94 Q A -0.7287
95 S A -1.0761
96 S A 0.0000
97 V A 0.0000
98 V A 0.0000
99 A A -0.6653
100 G A -1.0193
101 T A -0.7732
102 A A -1.2279
103 R A -1.6213
104 F A -0.9730
105 S A -0.8612
106 C A 0.0000
107 R A -0.7105
108 C A 0.0000
109 P A 0.0000
110 R A -1.9563
111 G A -0.4548
112 F A -0.2211
113 R A -0.8504
114 G A 0.0000
115 P A -1.0725
116 D A -1.9168
117 C A -0.7802
118 S A -0.3922
119 L A 0.1570
120 P A -0.2036
121 D A 0.0000
122 P A -0.4566
123 C A -0.0476
124 L A 1.2605
125 S A 0.3740
126 S A 0.0000
127 P A -0.9666
128 C A -1.3305
129 A A -0.8966
130 H A -1.7786
131 G A -1.4469
132 A A -1.4630
133 R A -2.1429
134 C A 0.0000
135 S A -0.4431
136 V A 0.0000
137 G A -0.4371
138 P A -1.0206
139 D A -2.0659
140 G A -1.2200
141 R A -0.7422
142 F A -0.3052
143 L A 0.4099
144 C A -0.5793
145 S A -0.4986
146 C A -0.5961
147 P A -0.3678
148 P A -0.8767
149 G A -1.2096
150 Y A -2.1360
151 Q A -2.6360
152 G A -2.2034
153 R A -2.1997
154 S A -1.8737
155 C A 0.0000
156 R A -2.9088
157 S A -1.9576
158 D A -2.0836
159 V A -0.5852
160 D A -1.9069
161 E A -1.2503
162 C A -0.8289
163 R A -2.0078
164 V A -1.0751
165 G A -1.9218
166 E A -2.7770
167 S A -1.9014
168 C A 0.0000
169 R A -2.7906
170 H A -1.9662
171 G A -1.2879
172 G A -1.0457
173 T A -1.0271
174 C A -1.0734
175 L A -0.5009
176 N A -1.4012
177 T A -0.9436
178 P A -0.9509
179 G A -0.9097
180 S A -0.7921
181 F A 0.0000
182 R A -1.5144
183 C A 0.0000
184 Q A -1.5080
185 C A -1.1025
186 P A -0.5644
187 A A 0.2387
188 G A 0.4181
189 Y A 0.3932
190 T A -0.1322
191 G A 0.0000
192 P A -0.3537
193 L A 0.4291
194 C A -0.6266
195 E A -1.4686
196 N A -0.7197
197 P A -0.2989
198 A A 0.3557
199 V A 0.8631
200 P A 0.6597
201 C A 0.4325
202 A A 0.3412
203 P A -0.4775
204 S A -0.9822
205 P A -1.1440
206 C A -1.4183
207 R A -1.9967
208 N A -1.7324
209 G A -1.6211
210 G A -1.3596
211 T A -1.0909
212 C A -1.4898
213 R A -2.6163
214 Q A -2.2390
215 S A -1.6776
216 G A -1.6648
217 D A -1.6362
218 L A -0.6768
219 T A -0.6023
220 Y A -0.4789
221 D A -1.5001
222 C A -0.3711
223 A A -0.0958
224 C A 0.2270
225 L A 0.1879
226 P A -0.0317
227 G A -0.4433
228 F A -0.3652
229 E A -1.8136
230 G A -1.7351
231 Q A -1.6881
232 N A -1.8638
233 C A -1.0187
234 E A 0.0000
235 V A -0.9898
236 N A 0.0000
237 V A -0.8443
238 D A -1.4733
239 D A -1.8669
240 C A -1.1825
241 P A -0.9777
242 G A -1.0529
243 H A -1.1030
244 R A -1.6619
245 C A -0.4940
246 L A 0.2795
247 N A -0.9345
248 G A -0.9337
249 G A -0.4105
250 T A -0.4342
251 C A -0.1394
252 V A 0.4035
253 D A -1.1739
254 G A -1.3114
255 V A -1.3766
256 N A -1.8175
257 T A -1.1202
258 Y A -0.9036
259 N A -0.9025
260 C A -0.5507
261 Q A -0.4039
262 C A -0.7207
263 P A -0.8077
264 P A -1.0043
265 E A -1.4424
266 W A -0.5197
267 T A -0.4909
268 G A -0.3804
269 Q A -0.2121
270 F A 0.8287
271 C A -0.1317
272 T A -1.0226
273 E A -1.5806
274 D A -1.9610
275 V A -0.6169
276 D A -0.7888
277 E A -0.3607
278 C A -0.1189
279 Q A -0.9135
280 L A 0.3117
281 Q A 0.0000
282 P A -0.4938
283 N A -0.3851
284 A A -0.2962
285 C A 0.0000
286 H A -0.2499
287 N A 0.0000
288 G A 0.0000
289 G A 0.0000
290 T A 0.6236
291 C A 0.8570
292 F A 1.5737
293 N A 0.3707
294 T A 0.5876
295 L A 1.1102
296 G A 0.1475
297 G A -0.2168
298 H A -0.2738
299 S A -0.0123
300 C A 0.4874
301 V A 1.3907
302 C A 0.0000
303 V A 0.9986
304 N A 0.3510
305 G A -0.0561
306 W A 0.7102
307 T A -0.0869
308 G A -0.9546
309 E A -1.9807
310 S A -1.1746
311 C A 0.0000
312 S A -0.1885
313 Q A 0.0000
314 N A 0.2497
315 I A -0.2442
316 D A -1.3413
317 D A -2.1573
318 C A -1.3821
319 A A -0.5198
320 T A -0.3979
321 A A 0.0000
322 V A 0.1579
323 C A 0.6346
324 F A 0.8849
325 H A -0.1434
326 G A -0.4010
327 A A -0.4370
328 T A -0.3686
329 C A -0.6170
330 H A -1.6353
331 D A -2.7682
332 R A -1.9961
333 V A 0.5068
334 A A 0.1189
335 S A 0.0000
336 F A 0.0000
337 Y A 0.0000
338 C A 0.0000
339 A A -0.1250
340 C A 0.0000
341 P A -0.5654
342 M A -0.4760
343 G A -0.9423
344 K A -1.2187
345 T A 0.0000
346 G A -0.2963
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.0055
352 D A -1.0682
353 D A 0.0000
354 A A 0.0000
355 C A 0.0000
356 V A 0.0000
357 S A -1.2166
358 N A -1.2066
359 P A -1.1209
360 C A 0.0000
361 H A 0.0000
362 E A -2.3445
363 D A -1.8371
364 A A 0.0000
365 I A 0.0000
366 C A 0.0000
367 D A 0.0000
368 T A 0.0000
369 N A 0.0000
370 P A 0.5718
371 V A 0.0000
372 N A 0.0000
373 G A -0.3769
374 R A 0.0000
375 A A -0.0515
376 I A 0.0000
377 C A 0.0000
378 T A -0.5320
379 C A -0.8329
380 P A -0.5487
381 P A -0.6040
382 G A 0.0000
383 F A 0.0000
384 T A 0.0000
385 G A 0.0000
386 G A -0.7786
387 A A -0.6991
388 C A -1.0080
389 D A -1.4585
390 Q A -1.4384
391 D A 0.0000
392 V A -0.4627
393 D A -0.2910
394 E A -0.5146
395 C A 0.0000
396 S A -0.3709
397 I A -0.1672
398 G A -0.3660
399 A A -0.1456
400 N A -0.8716
401 P A -1.2495
402 C A 0.0000
403 E A -2.8990
404 H A -1.8199
405 L A -0.7718
406 G A -0.6429
407 R A -0.3181
408 C A 0.0000
409 V A 0.0148
410 N A -0.6956
411 T A -0.8824
412 Q A -1.4581
413 G A 0.0000
414 S A -0.6836
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A -1.3227
421 R A -2.0860
422 G A -1.2835
423 Y A -0.5363
424 T A -0.2795
425 G A -0.7165
426 P A -1.3187
427 R A -1.1879
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.8236
432 V A 0.8900
433 N A 0.0000
434 E A -0.2640
435 C A 0.4794
436 L A 1.1208
437 S A 0.3391
438 G A 0.0000
439 P A -0.1006
440 C A -0.7443
441 R A -2.2531
442 N A -1.9408
443 Q A -1.7275
444 A A -0.8442
445 T A -0.1028
446 C A 0.5504
447 L A 0.0000
448 D A -0.4570
449 R A -0.2777
450 I A 1.2760
451 G A -0.3086
452 Q A -0.8401
453 F A -0.1328
454 T A 0.1000
455 C A 0.6439
456 I A 0.8694
457 C A 0.0000
458 M A -0.0009
459 A A -0.2473
460 G A -0.2743
461 F A -0.2407
462 T A 0.0733
463 G A -0.1719
464 T A 0.0288
465 Y A 0.9827
466 C A 0.0000
467 E A -1.0337
468 V A 0.0000
469 D A 0.0000
470 I A 0.5596
471 D A -0.2914
472 E A -0.8561
473 C A -0.4046
474 Q A -0.5660
475 S A -0.2309
476 S A 0.0000
477 P A 0.2794
478 C A 0.0000
479 V A 0.6182
480 N A -0.9545
481 G A -0.5445
482 G A -0.3270
483 V A -0.2402
484 C A -0.7017
485 K A -1.7852
486 D A -1.3141
487 R A -0.6905
488 V A 0.7833
489 N A 0.0000
490 G A -0.1562
491 F A -0.1313
492 S A -0.2804
493 C A -0.0427
494 T A 0.0121
495 C A 0.2001
496 P A -0.3562
497 S A -0.8770
498 G A 0.1068
499 F A 1.2300
500 S A 0.7859
501 G A 0.3066
502 S A 0.0189
503 T A 0.0000
504 C A 0.0000
505 Q A 0.0000
506 L A 0.7191
507 D A -0.4817
508 V A -0.8310
509 D A -2.0831
510 E A -2.7052
511 C A -1.2371
512 A A -0.8345
513 S A -0.4349
514 T A -0.3685
515 P A -0.8432
516 C A -1.3207
517 R A -2.7387
518 N A -2.6595
519 G A -2.1591
520 A A -2.1539
521 K A -2.9197
522 C A -1.8221
523 V A -1.5569
524 D A -2.8229
525 Q A -2.8507
526 P A -2.2804
527 D A -2.8244
528 G A -1.8345
529 Y A -1.2983
530 E A -2.1907
531 C A -1.5405
532 R A -2.2672
533 C A -1.5161
534 A A -0.8033
535 E A -1.4320
536 G A -0.9757
537 F A -0.6926
538 E A -1.9973
539 G A -1.2258
540 T A -0.7968
541 L A -0.1605
542 C A -1.2876
543 D A -2.0535
544 R A -1.4720
545 N A 0.0000
546 V A 0.1897
547 D A -1.8709
548 D A -2.4291
549 C A 0.0000
550 S A -2.4450
551 P A -2.2415
552 D A -2.8314
553 P A -1.7760
554 C A 0.0000
555 H A -2.5356
556 H A -2.4527
557 G A -1.5690
558 R A -1.6794
559 C A -0.5324
560 V A 0.8336
561 D A -0.3059
562 G A 0.2488
563 I A 1.1138
564 A A 0.3556
565 S A 0.3753
566 F A -0.1254
567 S A -0.5694
568 C A 0.0000
569 A A -0.7584
570 C A -0.9301
571 A A -0.6196
572 P A -0.9805
573 G A -0.7246
574 Y A 0.0000
575 T A -0.9598
576 G A 0.0000
577 T A -1.6904
578 R A -3.1972
579 C A -2.3513
580 E A -2.5652
581 S A -1.4940
582 Q A -1.2707
583 V A -0.9344
584 D A -2.5117
585 E A -2.2256
586 C A -0.9246
587 R A -2.2753
588 S A -1.9209
589 Q A -1.6975
590 P A -1.2134
591 C A 0.0000
592 R A -1.8942
593 H A -1.7363
594 G A -1.3650
595 G A -1.2294
596 K A -1.4778
597 C A -0.3913
598 L A 0.5865
599 D A -0.4242
600 L A 0.4006
601 V A 0.4205
602 D A -1.7053
603 K A -2.0729
604 Y A 0.0000
605 L A -0.2165
606 C A 0.0000
607 R A -1.7213
608 C A 0.0000
609 P A -1.0452
610 S A -0.5705
611 G A 0.0005
612 T A 0.1989
613 T A 0.2847
614 G A -0.1820
615 V A 0.4763
616 N A -1.0015
617 C A 0.0000
618 E A 0.0000
619 V A 0.4181
620 N A 0.0000
621 I A 1.8284
622 D A -0.0609
623 D A 0.0000
624 C A -0.0947
625 A A -0.3747
626 S A -0.6786
627 N A -0.7096
628 P A -0.2981
629 C A 0.4060
630 T A 0.9712
631 F A 1.9455
632 G A 1.3201
633 V A 1.3025
634 C A -0.3596
635 R A -2.5621
636 D A -3.2557
637 G A -1.8905
638 I A -0.2036
639 N A -1.7115
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2265 D A -1.5281
2266 W A -0.2999
2267 S A -0.6264
2268 E A -0.5143
2269 S A -0.4911
2270 T A -0.3934
2271 P A 0.0000
2272 S A -0.3214
2273 P A 0.0519
2274 A A 0.1717
2275 T A 0.1394
2276 A A 0.2811
2277 T A -0.0957
2278 G A -0.0633
2279 A A -0.1933
2280 M A 0.2584
2281 A A 0.2464
2282 T A 0.0166
2283 T A -0.1697
2284 T A -0.1237
2285 G A -0.1239
2286 A A 0.5154
2287 L A 1.1633
2288 P A 0.1961
2289 A A -0.0056
2290 Q A -0.6930
2291 P A -0.3944
2292 L A 0.8124
2293 P A 0.7302
2294 L A 1.4154
2295 S A 1.1307
2296 V A 1.3746
2297 P A 0.2483
2298 S A 0.1483
2299 S A 0.3562
2300 L A 0.9156
2301 A A 0.3821
2302 Q A -0.7377
2303 A A -0.8822
2304 Q A -1.7867
2305 T A -1.3925
2306 Q A -0.6350
2307 L A 0.0914
2308 G A -0.4111
2309 P A -0.3131
2310 Q A -0.0537
2311 P A -0.2703
2312 E A -0.0535
2313 V A 1.2365
2314 T A 0.0835
2315 P A -0.9455
2316 K A -2.4829
2317 R A -2.7700
2318 Q A -0.7969
2319 V A 1.4417
2320 L A 1.6994
2321 A A 0.8080
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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, -0.5425 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 -0.5425 View CSV PDB
model_1 -0.574 View CSV PDB
model_4 -0.5802 View CSV PDB
model_3 -0.5884 View CSV PDB
model_2 -0.5921 View CSV PDB
model_6 -0.5999 View CSV PDB
CABS_average -0.613 View CSV PDB
model_5 -0.6133 View CSV PDB
model_7 -0.6243 View CSV PDB
model_9 -0.6391 View CSV PDB
model_10 -0.6426 View CSV PDB
model_8 -0.6622 View CSV PDB
model_11 -0.6969 View CSV PDB
input -0.7356 View CSV PDB