Project name: R587C_4D

Status: done

Started: 2026-05-09 14:24:45
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECCSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:29:25)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:43:20)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:44:07)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:44:53)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:45:38)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:46:24)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:47:09)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:47:54)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:48:39)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:49:25)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:50:10)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:50:55)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:51:41)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:52:26)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:53:55)
[INFO]       Main:     Simulation completed successfully.                                          (12:54:39)
Show buried residues

Minimal score value
-4.7736
Maximal score value
3.3411
Average score
-0.5799
Total score value
-1346.0258

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 0.0563
2 G A -0.6163
3 P A -0.7315
4 G A -1.4540
5 A A 0.0000
6 R A -1.3900
7 G A -2.2035
8 R A -3.7521
9 R A -4.3164
10 R A -4.7736
11 R A -4.2917
12 R A -3.7951
13 R A -3.1050
14 P A -1.3823
15 M A -0.5947
16 S A -0.9840
17 P A -1.8253
18 P A -0.9823
19 P A -0.0829
20 P A -0.5492
21 P A -0.4495
22 P A -0.5308
23 P A -0.4299
24 V A -0.2535
25 R A -1.1018
26 A A -0.2632
27 L A 0.2183
28 P A 0.4510
29 L A 0.0000
30 L A 0.7124
31 L A 0.0000
32 L A 2.4763
33 L A 1.2703
34 A A 0.5908
35 G A -0.1459
36 P A -0.3566
37 G A -0.6210
38 A A -0.1232
39 A A 0.0000
40 A A 0.0000
41 P A 0.0000
42 P A 0.0000
43 C A 0.5102
44 L A -0.1159
45 D A -1.4928
46 G A -1.1010
47 S A -0.5810
48 P A -0.5149
49 C A -0.2893
50 A A -0.5572
51 N A -1.1560
52 G A -1.2695
53 G A -1.3654
54 R A -1.9135
55 C A -0.6807
56 T A -1.0027
57 Q A -2.0296
58 L A -1.4846
59 P A -1.3775
60 S A -1.3253
61 R A -2.1855
62 E A -2.5440
63 A A -1.1775
64 A A 0.0000
65 C A 0.0000
66 L A -0.4726
67 C A 0.0000
68 P A -0.8652
69 P A -0.7758
70 G A -0.7845
71 W A -0.6212
72 V A 0.0000
73 G A -0.7759
74 E A -0.3289
75 R A 0.0000
76 C A 0.0000
77 Q A 0.0000
78 L A -0.5516
79 E A -1.7240
80 D A -1.4013
81 P A -0.8343
82 C A 0.0000
83 H A -0.8677
84 S A -1.0703
85 G A -0.3800
86 P A -0.7197
87 C A -0.7763
88 A A -0.6287
89 G A -1.2329
90 R A -1.9646
91 G A 0.0000
92 V A -0.9264
93 C A -0.9084
94 Q A -1.1184
95 S A -0.6808
96 S A -0.4549
97 V A 0.0000
98 V A 0.0000
99 A A 0.0147
100 G A -0.5215
101 T A -0.4638
102 A A -0.5043
103 R A -0.5623
104 F A 0.7465
105 S A -0.3805
106 C A -1.3136
107 R A -2.4809
108 C A 0.0000
109 P A -1.6724
110 R A -2.1423
111 G A -0.6355
112 F A 0.2430
113 R A -1.4163
114 G A -1.9578
115 P A -2.0582
116 D A -2.3601
117 C A -0.9437
118 S A 0.0016
119 L A 1.0233
120 P A 0.1617
121 D A -0.2744
122 P A -0.1771
123 C A 0.7760
124 L A 1.6084
125 S A 0.1992
126 S A -0.0093
127 P A -0.6087
128 C A 0.0000
129 A A 0.0000
130 H A -0.8818
131 G A -1.1965
132 A A -1.4351
133 R A -1.3332
134 C A 0.2385
135 S A 0.8206
136 V A 0.8387
137 G A 0.0000
138 P A -1.1897
139 D A -2.2458
140 G A -1.3766
141 R A -1.0175
142 F A 1.5584
143 L A 1.5754
144 C A 0.2228
145 S A -0.7021
146 C A -1.2800
147 P A 0.0000
148 P A -1.4066
149 G A -1.3113
150 Y A 0.0000
151 Q A -2.0929
152 G A -1.8195
153 R A -1.8483
154 S A -1.3877
155 C A 0.0000
156 R A -1.7751
157 S A -0.9215
158 D A -0.1269
159 V A 0.7614
160 D A -0.3177
161 E A 0.0000
162 C A 0.0000
163 R A -2.3037
164 V A -1.1322
165 G A -1.4890
166 E A -1.3759
167 P A 0.0000
168 C A 0.0000
169 R A -2.0057
170 H A -1.5108
171 G A -1.2219
172 G A 0.0000
173 T A -1.0538
174 C A 0.0000
175 L A -0.8821
176 N A 0.0000
177 T A 0.0000
178 P A 0.0000
179 G A 0.0000
180 S A -0.7531
181 F A -0.4323
182 R A -1.4881
183 C A -0.9371
184 Q A -1.4160
185 C A -0.5912
186 P A -0.1994
187 A A 0.0157
188 G A 0.0842
189 Y A 0.5476
190 T A 0.0469
191 G A -0.5321
192 P A -0.1288
193 L A 0.8683
194 C A 0.0000
195 E A -0.6691
196 N A -0.4612
197 P A -0.3366
198 A A 0.1910
199 V A 0.3987
200 P A 0.1540
201 C A -0.1330
202 A A -0.0003
203 P A -0.0856
204 S A -0.6833
205 P A -0.9107
206 C A -1.2017
207 R A -2.1648
208 N A -1.3465
209 G A -1.1029
210 G A -1.1318
211 T A -0.9609
212 C A -1.4905
213 R A -2.4891
214 Q A -2.0912
215 S A -1.4422
216 G A -1.4428
217 D A -1.4145
218 L A -0.0158
219 T A -0.6175
220 Y A -1.0333
221 D A -1.7329
222 C A -1.0156
223 A A -0.4369
224 C A 0.3355
225 L A 0.9386
226 P A 0.1344
227 G A 0.2675
228 F A 0.3185
229 E A -1.8906
230 G A -1.9544
231 Q A -2.4233
232 N A -2.3790
233 C A -1.5784
234 E A -2.1282
235 V A 0.0000
236 N A -2.1412
237 V A -1.7309
238 D A -2.7341
239 D A -2.5839
240 C A -0.6161
241 P A -0.6077
242 G A -1.0327
243 H A -1.3843
244 R A -1.3379
245 C A -0.4842
246 L A 0.0000
247 N A -1.1616
248 G A -1.0850
249 G A -0.7775
250 T A -0.3855
251 C A -0.0143
252 V A 0.5344
253 D A -1.5950
254 G A -1.1035
255 V A -0.8174
256 N A -1.5555
257 T A -1.3364
258 Y A -0.9738
259 N A -0.4683
260 C A -0.1670
261 Q A -0.6395
262 C A 0.0000
263 P A -0.8753
264 P A -0.8268
265 E A -1.2974
266 W A 0.0000
267 T A -1.1781
268 G A -1.0069
269 Q A -0.5797
270 F A 0.4714
271 C A 0.0000
272 T A 0.0000
273 E A -1.0179
274 D A 0.0000
275 V A 0.0000
276 D A 0.0000
277 E A -0.6915
278 C A -0.6137
279 Q A -1.1101
280 L A -0.6801
281 Q A -0.9257
282 P A -0.7826
283 N A -0.9219
284 A A -0.8184
285 C A 0.0000
286 H A -1.8978
287 N A -1.9288
288 G A -1.1911
289 G A -0.9402
290 T A 0.0893
291 C A 0.3888
292 F A -0.3443
293 N A -0.9389
294 T A 0.0000
295 L A -0.5920
296 G A -1.1517
297 G A -1.4992
298 H A 0.0000
299 S A -1.2669
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A 0.7343
304 N A 0.1986
305 G A 0.0000
306 W A 1.0353
307 T A 0.0000
308 G A -0.5049
309 E A -1.4775
310 S A -1.0350
311 C A -0.6759
312 S A -0.6957
313 Q A -1.0069
314 N A -0.1829
315 I A 1.0658
316 D A 0.0000
317 D A 0.1379
318 C A 0.4284
319 A A 0.6373
320 T A 0.2103
321 A A 1.1020
322 V A 1.7498
323 C A 1.7947
324 F A 1.8045
325 H A 0.0257
326 G A -0.5133
327 A A -0.2572
328 T A 0.1735
329 C A 0.1772
330 H A -0.4261
331 D A -0.4394
332 R A -0.8525
333 V A 0.6266
334 A A 0.5197
335 S A 0.0302
336 F A 0.8666
337 Y A 1.1667
338 C A 0.0000
339 A A 0.5488
340 C A 0.6441
341 P A -0.1154
342 M A 0.1763
343 G A -1.0183
344 K A -1.4210
345 T A 0.0000
346 G A 0.0000
347 L A 1.8099
348 L A 2.1455
349 C A 1.8386
350 H A 1.4086
351 L A 1.1486
352 D A -0.9719
353 D A -1.6271
354 A A -0.8144
355 C A 0.7283
356 V A 1.5917
357 S A 0.3917
358 N A 0.0000
359 P A 0.9130
360 C A 0.3614
361 H A -0.8957
362 E A -2.4255
363 D A -2.2679
364 A A -0.5778
365 I A 1.1351
366 C A 0.4192
367 D A -0.9149
368 T A -1.0915
369 N A -1.5424
370 P A -0.8765
371 V A 0.1968
372 N A -1.3810
373 G A -1.7835
374 R A -2.1763
375 A A 0.0000
376 I A 0.0606
377 C A 0.0000
378 T A 0.5910
379 C A 0.1124
380 P A -0.2803
381 P A 0.0000
382 G A -0.2535
383 F A -0.0527
384 T A 0.0000
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 -0.1022
392 V A 0.0000
393 D A -0.8747
394 E A -1.0999
395 C A -0.5388
396 S A -0.3664
397 I A 0.1542
398 G A -0.5072
399 A A -0.7861
400 N A -0.7081
401 P A -0.8365
402 C A -0.3120
403 E A 0.0000
404 H A 0.1930
405 L A 0.7423
406 G A -0.0390
407 R A -1.0722
408 C A -0.0575
409 V A 0.0967
410 N A 0.2561
411 T A 0.0000
412 Q A 0.1539
413 G A -0.1196
414 S A 0.7430
415 F A 1.7404
416 L A 0.0000
417 C A 0.0000
418 Q A -0.7375
419 C A -0.6144
420 G A -0.8588
421 R A -1.9164
422 G A -0.8727
423 Y A 0.0000
424 T A -0.1913
425 G A 0.0000
426 P A -0.1966
427 R A -0.1141
428 C A 0.0000
429 E A -0.2417
430 T A 0.0000
431 D A -0.2192
432 V A 1.0264
433 N A 0.0000
434 E A -0.4809
435 C A 0.0035
436 L A 0.0000
437 S A -0.3796
438 G A -0.5189
439 P A -1.1214
440 C A 0.0000
441 R A -2.7009
442 N A -2.4782
443 Q A -1.6526
444 A A -0.8550
445 T A -0.5486
446 C A 0.2790
447 L A 0.5983
448 D A -0.1839
449 R A -0.7924
450 I A 0.0000
451 G A -1.2194
452 Q A -0.8651
453 F A 0.2092
454 T A 0.0000
455 C A 0.0000
456 I A 1.4597
457 C A 0.0000
458 M A 0.6982
459 A A 0.1159
460 G A -0.7756
461 F A 0.0000
462 T A -1.5290
463 G A 0.0000
464 T A -0.1492
465 Y A 0.4437
466 C A 0.0000
467 E A -1.8495
468 V A 0.0000
469 D A -2.3110
470 I A 0.0000
471 D A -2.3264
472 E A 0.0000
473 C A 0.0000
474 Q A -1.5400
475 S A -1.1215
476 S A 0.0000
477 P A -0.0953
478 C A 0.8288
479 V A 1.5162
480 N A 0.1076
481 G A 0.1361
482 G A 0.7027
483 V A 1.3711
484 C A 0.4134
485 K A -0.7268
486 D A -1.4621
487 R A -1.7263
488 V A -1.0602
489 N A -1.0505
490 G A 0.0000
491 F A 0.0000
492 S A 0.0000
493 C A 0.0000
494 T A 0.9451
495 C A 0.0000
496 P A 0.1202
497 S A -0.2727
498 G A 0.1867
499 F A 1.1280
500 S A 0.7729
501 G A 0.3899
502 S A 0.4905
503 T A 0.8517
504 C A 1.2591
505 Q A 0.8990
506 L A 1.4854
507 D A 0.6568
508 V A 0.6667
509 D A -1.4415
510 E A -1.2140
511 C A 0.0000
512 A A -0.4129
513 S A -0.4088
514 T A -0.1222
515 P A -0.2147
516 C A -0.6142
517 R A -2.2507
518 N A -2.0931
519 G A -1.4504
520 A A -1.2569
521 K A -1.4102
522 C A -0.6419
523 V A 0.0609
524 D A -1.5206
525 Q A -1.9175
526 P A -1.8923
527 D A -2.0149
528 G A -1.1501
529 Y A -0.3897
530 E A -0.9174
531 C A -0.9007
532 R A -2.1236
533 C A 0.0000
534 A A -1.7076
535 E A -2.5348
536 G A -1.1420
537 F A -0.3949
538 E A -1.4490
539 G A -1.0642
540 T A -0.4052
541 L A 0.4025
542 C A 0.0000
543 D A 0.0000
544 R A -2.1606
545 N A -1.3618
546 V A -0.4330
547 D A -1.1973
548 D A -2.1254
549 C A 0.0000
550 S A -1.8360
551 P A -1.9640
552 D A -2.4871
553 P A -1.9271
554 C A -1.9907
555 H A -1.4885
556 H A 0.0000
557 G A -1.1043
558 R A -1.7549
559 C A -1.0169
560 V A -0.6059
561 D A -1.4783
562 G A -0.3707
563 I A -0.0225
564 A A -0.1120
565 S A -0.3887
566 F A -0.7459
567 S A -0.7612
568 C A 0.0000
569 A A -0.5969
570 C A -0.2434
571 A A -0.4935
572 P A -0.1449
573 G A 0.0000
574 Y A 0.0000
575 T A -1.0339
576 G A 0.0000
577 T A -1.2178
578 R A -2.3564
579 C A 0.0000
580 E A -2.9427
581 S A -1.9813
582 Q A -2.0456
583 V A -1.7528
584 D A -2.8241
585 E A -2.5266
586 C A -0.9403
587 C A -1.2716
588 S A -1.2936
589 Q A -1.9409
590 P A -2.0925
591 C A -2.2326
592 R A -2.4872
593 H A -2.0855
594 G A -1.9430
595 G A -2.0062
596 K A -2.1651
597 C A -0.5159
598 L A 0.1980
599 D A -1.3487
600 L A -0.0929
601 V A -1.1564
602 D A -2.3469
603 K A -2.1002
604 Y A 0.0000
605 L A -0.0117
606 C A 0.0000
607 R A -1.9359
608 C A 0.0000
609 P A -1.1674
610 S A -1.0018
611 G A -1.3658
612 T A -1.0175
613 T A -0.9694
614 G A -0.4184
615 V A -0.4607
616 N A -1.6814
617 C A 0.0000
618 E A -1.8699
619 V A -1.7897
620 N A -1.6136
621 I A -1.0167
622 D A -2.5621
623 D A -2.2294
624 C A -1.0124
625 A A -0.5834
626 S A -0.5090
627 N A -1.3135
628 P A -0.7486
629 C A 0.3772
630 T A 1.1137
631 F A 2.3645
632 G A 1.7998
633 V A 1.7359
634 C A 0.0355
635 R A -1.7269
636 D A -1.8176
637 G A -1.8728
638 I A -1.7785
639 N A -2.2213
640 R A -2.5110
641 Y A -1.3485
642 D A -1.5778
643 C A 0.0102
644 V A 1.2449
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2261 P A -0.1683
2262 S A 0.2617
2263 L A 1.4073
2264 S A 0.6544
2265 D A -0.0572
2266 W A 0.2622
2267 S A -0.6269
2268 E A -1.7577
2269 S A -1.3542
2270 T A -0.9023
2271 P A -0.7605
2272 S A -0.3462
2273 P A -0.8987
2274 A A -0.8820
2275 T A 0.0000
2276 A A -1.0777
2277 T A -1.3426
2278 G A -0.8509
2279 A A -0.3611
2280 M A -0.5095
2281 A A -0.3481
2282 T A -0.1808
2283 T A 0.0179
2284 T A -0.2157
2285 G A -0.2053
2286 A A -0.2650
2287 L A -0.2961
2288 P A -0.3753
2289 A A -0.1788
2290 Q A -0.3913
2291 P A 0.1254
2292 L A 1.3699
2293 P A 0.8032
2294 L A 0.4375
2295 S A 0.3606
2296 V A -0.2205
2297 P A -0.5991
2298 S A -0.7087
2299 S A -0.0369
2300 L A 1.2894
2301 A A 0.2731
2302 Q A -1.0756
2303 A A -0.7760
2304 Q A -1.5889
2305 T A -0.4662
2306 Q A 0.0000
2307 L A 0.8081
2308 G A 0.4169
2309 P A 0.2345
2310 Q A 0.0000
2311 P A 0.0000
2312 E A 0.0000
2313 V A 0.0000
2314 T A 0.0000
2315 P A -1.5240
2316 K A -2.2238
2317 R A -1.5708
2318 Q A -1.1618
2319 V A 0.8169
2320 L A 1.0376
2321 A A 0.8204
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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, -0.5799 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 -0.5799 View CSV PDB
model_1 -0.6109 View CSV PDB
model_3 -0.6154 View CSV PDB
model_9 -0.6194 View CSV PDB
model_5 -0.6204 View CSV PDB
CABS_average -0.6341 View CSV PDB
model_11 -0.6352 View CSV PDB
model_8 -0.6418 View CSV PDB
model_6 -0.6528 View CSV PDB
model_10 -0.6529 View CSV PDB
model_4 -0.6591 View CSV PDB
model_7 -0.6599 View CSV PDB
model_2 -0.6615 View CSV PDB
input -0.7544 View CSV PDB