Project name: C55Y_5_4D

Status: done

Started: 2026-05-18 02:48:23
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRYTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:18:08)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (15:52:41)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (15:53:56)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (15:55:07)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (15:56:24)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (15:57:41)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (15:58:58)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (16:00:16)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (16:01:32)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (16:02:49)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (16:04:06)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (16:05:23)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (16:06:39)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (16:07:58)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (16:10:35)
[INFO]       Main:     Simulation completed successfully.                                          (16:11:53)
Show buried residues

Minimal score value
-2.5128
Maximal score value
2.2328
Average score
-0.2232
Total score value
-517.9885

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 0.2894
2 G A 0.0000
3 P A -0.1177
4 G A -0.3633
5 A A -0.3639
6 R A -1.9229
7 G A -1.0377
8 R A -1.4665
9 R A -1.9480
10 R A -2.3737
11 R A -2.0849
12 R A -2.4807
13 R A -1.4832
14 P A -0.2613
15 M A 0.9758
16 S A -0.0658
17 P A -0.3548
18 P A -0.3289
19 P A -0.1896
20 P A -0.1143
21 P A -0.3114
22 P A -0.3185
23 P A 0.0665
24 V A 0.7283
25 R A -1.5137
26 A A -0.2459
27 L A 0.1524
28 P A -0.0715
29 L A 0.3168
30 L A 1.1656
31 L A 1.1847
32 L A 1.8341
33 L A 1.2920
34 A A 0.0000
35 G A -0.5115
36 P A -0.4296
37 G A -0.5031
38 A A -0.0296
39 A A 0.0211
40 A A -0.0473
41 P A 0.0000
42 P A 0.0000
43 C A 0.0000
44 L A 0.0000
45 D A -1.8812
46 G A -0.8324
47 S A -0.1619
48 P A 0.0000
49 C A 0.0000
50 A A 0.0000
51 N A -0.6793
52 G A -0.5866
53 G A -0.4305
54 R A -1.0920
55 Y A -0.0196
56 T A -0.1973
57 Q A -1.1996
58 L A 0.0000
59 P A -0.1878
60 S A -0.2944
61 R A -0.5845
62 E A -1.2084
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.2499
67 C A 0.0000
68 P A -0.0911
69 P A -0.0992
70 G A -0.1819
71 W A 0.2294
72 V A 0.0000
73 G A -0.0665
74 E A 0.0000
75 R A 0.0000
76 C A 0.0000
77 Q A -0.3579
78 L A -0.2087
79 E A -1.8704
80 D A -1.2417
81 P A -0.3141
82 C A -0.0597
83 H A -0.9772
84 S A -0.3565
85 G A -0.5551
86 P A 0.0000
87 C A -0.1045
88 A A -0.0146
89 G A -0.8039
90 R A -2.0127
91 G A -0.8911
92 V A 0.0000
93 C A 0.1444
94 Q A -0.2001
95 S A 0.0000
96 S A -0.0342
97 V A 0.0000
98 V A 0.3477
99 A A 0.0261
100 G A -0.4706
101 T A -0.1593
102 A A -0.3645
103 R A -1.5358
104 F A 1.1447
105 S A 0.1693
106 C A -0.1292
107 R A -1.7558
108 C A -0.1784
109 P A -0.5148
110 R A -1.8866
111 G A -0.8035
112 F A 0.0000
113 R A -1.3350
114 G A -0.5518
115 P A -0.6558
116 D A -1.8367
117 C A 0.0000
118 S A -0.0185
119 L A 0.4763
120 P A -0.2137
121 D A -1.3554
122 P A 0.0000
123 C A 0.0000
124 L A 1.5083
125 S A 0.0336
126 S A -0.3027
127 P A -0.2689
128 C A 0.1064
129 A A -0.1248
130 H A -1.0724
131 G A -0.6518
132 A A -0.4214
133 R A -1.8189
134 C A -0.2463
135 S A 0.1906
136 V A 0.3666
137 G A -0.0901
138 P A -0.6021
139 D A -1.9247
140 G A -1.1558
141 R A -1.6133
142 F A 1.6133
143 L A 1.8753
144 C A 0.4051
145 S A 0.0000
146 C A 0.0000
147 P A -0.0898
148 P A -0.1088
149 G A -0.2366
150 Y A -0.0858
151 Q A -1.2361
152 G A -1.0483
153 R A -1.9453
154 S A -0.3825
155 C A -0.1798
156 R A -1.8450
157 S A -0.6007
158 D A -0.0955
159 V A 1.4002
160 D A -0.1961
161 E A -1.2877
162 C A -0.3320
163 R A -0.9434
164 V A 1.4615
165 G A -0.1817
166 E A -0.4033
167 P A -0.2845
168 C A 0.0112
169 R A -0.7917
170 H A -0.9088
171 G A -0.6498
172 G A -0.3821
173 T A -0.0482
174 C A 0.5997
175 L A 0.8317
176 N A -0.5580
177 T A -0.2212
178 P A -0.3475
179 G A -0.5428
180 S A -0.2399
181 F A 0.0000
182 R A -1.7296
183 C A 0.0000
184 Q A -1.1983
185 C A 0.0000
186 P A -0.2533
187 A A 0.1901
188 G A 0.0000
189 Y A 0.7529
190 T A 0.1310
191 G A 0.0000
192 P A -0.0940
193 L A 0.7925
194 C A 0.0000
195 E A -1.8753
196 N A -0.6474
197 P A -0.0119
198 A A 0.3749
199 V A 1.7184
200 P A 0.2353
201 C A 0.1590
202 A A 0.0087
203 P A -0.2895
204 S A -0.3051
205 P A -0.2783
206 C A -0.3045
207 R A -2.0001
208 N A -1.4046
209 G A -0.7302
210 G A -0.6699
211 T A 0.0000
212 C A -0.1693
213 R A -2.1700
214 Q A -1.5678
215 S A -0.4427
216 G A -0.8343
217 D A -1.5844
218 L A 1.2058
219 T A 0.3449
220 Y A 0.1079
221 D A -1.0981
222 C A 0.2147
223 A A 0.2309
224 C A 0.8762
225 L A 1.1767
226 P A 0.0542
227 G A 0.0249
228 F A 0.1179
229 E A -1.4048
230 G A -0.7832
231 Q A -1.4105
232 N A -1.3609
233 C A 0.0167
234 E A -1.5370
235 V A 0.1597
236 N A -0.9099
237 V A 0.2245
238 D A -1.9654
239 D A -2.1240
240 C A 0.0000
241 P A -0.4100
242 G A -0.6431
243 H A -0.9253
244 R A -0.8260
245 C A 0.1649
246 L A 0.8244
247 N A -0.2279
248 G A -0.6116
249 G A -0.5556
250 T A -0.0171
251 C A 0.7164
252 V A 1.2891
253 D A -1.5440
254 G A -0.4292
255 V A 1.6079
256 N A -0.0984
257 T A -0.1315
258 Y A -0.1663
259 N A -0.9525
260 C A 0.0000
261 Q A -0.6497
262 C A 0.0000
263 P A 0.0000
264 P A 0.0000
265 E A -0.3676
266 W A 0.0000
267 T A -0.0304
268 G A -0.3200
269 Q A -0.9167
270 F A 1.7363
271 C A 0.4523
272 T A -0.3911
273 E A -1.9960
274 D A -1.1518
275 V A 0.1049
276 D A 0.0000
277 E A 0.0000
278 C A 0.0000
279 Q A -0.1935
280 L A 0.0000
281 Q A 0.0000
282 P A -0.2883
283 N A -0.2287
284 A A -0.0241
285 C A 0.0000
286 H A -1.2162
287 N A -1.3848
288 G A -0.6920
289 G A -0.5318
290 T A -0.0663
291 C A 0.4463
292 F A 1.8951
293 N A 0.0342
294 T A 0.1339
295 L A 1.1604
296 G A 0.3004
297 G A -0.1144
298 H A 0.0000
299 S A -0.1848
300 C A 0.4209
301 V A 1.8103
302 C A 0.4880
303 V A 0.0326
304 N A -0.9883
305 G A -0.2806
306 W A 1.0021
307 T A 0.0703
308 G A -0.7977
309 E A -1.9272
310 S A -0.5137
311 C A 0.0000
312 S A 0.0000
313 Q A -0.2169
314 N A 0.0000
315 I A 0.1206
316 D A -0.8331
317 D A -0.3666
318 C A 0.0000
319 A A 0.0559
320 T A -0.0015
321 A A 0.0799
322 V A 0.3792
323 C A 0.0000
324 F A 0.7655
325 H A -0.8440
326 G A -0.2871
327 A A 0.0000
328 T A 0.0000
329 C A 0.0000
330 H A -0.2214
331 D A 0.0000
332 R A -1.6280
333 V A 0.8230
334 A A 0.2663
335 S A -0.0502
336 F A 0.0000
337 Y A 0.8139
338 C A 0.2495
339 A A 0.0000
340 C A 0.0667
341 P A -0.0820
342 M A 0.5622
343 G A -0.3298
344 K A -0.7092
345 T A 0.0000
346 G A -0.2099
347 L A 0.4933
348 L A 0.2728
349 C A 0.0000
350 H A 0.0000
351 L A 0.1087
352 D A -0.5779
353 D A -1.3277
354 A A -0.1987
355 C A 0.4829
356 V A 1.7803
357 S A 0.0554
358 N A -1.2963
359 P A -0.3963
360 C A 0.0000
361 H A 0.0000
362 E A -0.4123
363 D A 0.0000
364 A A 0.4025
365 I A 2.1058
366 C A 0.6301
367 D A -1.1184
368 T A -0.3598
369 N A -0.4544
370 P A -0.1194
371 V A 0.3325
372 N A -0.2224
373 G A -0.8557
374 R A -1.9207
375 A A -0.2058
376 I A 0.3335
377 C A 0.0000
378 T A -0.0446
379 C A 0.0000
380 P A 0.0000
381 P A -0.1112
382 G A -0.1755
383 F A 0.0000
384 T A -0.0285
385 G A 0.0000
386 G A -0.2114
387 A A 0.1551
388 C A 0.5277
389 D A -1.1724
390 Q A -1.1301
391 D A -0.3021
392 V A 0.1551
393 D A 0.0000
394 E A 0.0000
395 C A 0.0713
396 S A 0.0000
397 I A 0.0000
398 G A 0.0000
399 A A 0.0000
400 N A 0.0000
401 P A -0.0473
402 C A 0.0000
403 E A 0.0000
404 H A 0.0000
405 L A 0.9633
406 G A 0.0000
407 R A -0.8618
408 C A 0.0000
409 V A 0.1972
410 N A 0.0000
411 T A -0.0083
412 Q A 0.0000
413 G A 0.0000
414 S A -0.0305
415 F A 0.0000
416 L A 1.5477
417 C A 0.0000
418 Q A -0.6651
419 C A -0.1024
420 G A -0.4778
421 R A -0.3145
422 G A 0.0970
423 Y A 1.2802
424 T A 0.1795
425 G A -0.1944
426 P A -0.4377
427 R A -0.8651
428 C A 0.0000
429 E A -0.7268
430 T A -0.1515
431 D A 0.0000
432 V A 1.2307
433 N A -0.4756
434 E A -1.8671
435 C A -0.0571
436 L A 0.8992
437 S A -0.0546
438 G A -0.1053
439 P A 0.0000
440 C A 0.0000
441 R A -1.0818
442 N A -1.5517
443 Q A -1.0380
444 A A -0.1723
445 T A 0.1468
446 C A 0.6328
447 L A 0.4090
448 D A -1.1758
449 R A -1.0336
450 I A 0.3104
451 G A -0.0605
452 Q A -0.3581
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.6496
457 C A 0.0000
458 M A 1.0553
459 A A 0.1449
460 G A -0.1503
461 F A 0.8924
462 T A 0.0729
463 G A -0.4744
464 T A -0.1094
465 Y A 0.0000
466 C A 0.0000
467 E A -0.4626
468 V A 0.0000
469 D A -1.7894
470 I A 0.0000
471 D A -1.9597
472 E A -1.2421
473 C A 0.0000
474 Q A -1.2388
475 S A -0.4489
476 S A -0.1323
477 P A -0.2411
478 C A 0.4137
479 V A 1.5602
480 N A -1.0075
481 G A -0.6584
482 G A -0.1912
483 V A 1.6840
484 C A 0.0000
485 K A -1.9052
486 D A -1.6822
487 R A -1.7602
488 V A 1.0163
489 N A -0.5433
490 G A -0.0882
491 F A 1.8964
492 S A 0.1085
493 C A 0.3212
494 T A -0.0012
495 C A 0.0000
496 P A -0.2700
497 S A 0.0300
498 G A -0.1050
499 F A 1.9595
500 S A 0.1363
501 G A -0.5349
502 S A -0.3049
503 T A -0.0662
504 C A 0.0000
505 Q A -0.9921
506 L A 0.7150
507 D A -1.2836
508 V A 1.1727
509 D A -1.4448
510 E A -2.0654
511 C A -0.4589
512 A A 0.0033
513 S A -0.2133
514 T A -0.1061
515 P A -0.1895
516 C A 0.0310
517 R A -1.7455
518 N A -1.6629
519 G A -0.6986
520 A A -0.3705
521 K A -1.6261
522 C A 0.1786
523 V A 0.5188
524 D A -0.9686
525 Q A -1.4367
526 P A -0.8192
527 D A -1.8586
528 G A -0.5482
529 Y A -0.0747
530 E A -1.6581
531 C A -0.5623
532 R A -1.8257
533 C A 0.0000
534 A A -0.1144
535 E A -0.9967
536 G A -0.4596
537 F A 0.8196
538 E A -0.1693
539 G A -0.4230
540 T A 0.0000
541 L A 1.2241
542 C A 0.6127
543 D A -2.0098
544 R A -2.3071
545 N A -0.7147
546 V A 0.7771
547 D A -1.3491
548 D A -1.9979
549 C A -0.2816
550 S A -0.2429
551 P A -0.6225
552 D A -1.8960
553 P A -0.7991
554 C A -0.1281
555 H A -0.2601
556 H A -1.0830
557 G A -0.9217
558 R A -1.7755
559 C A 0.5418
560 V A 0.5076
561 D A -1.6533
562 G A -0.1645
563 I A 1.9810
564 A A 0.3883
565 S A -0.1368
566 F A 0.0853
567 S A -0.1135
568 C A 0.2333
569 A A -0.1814
570 C A 0.0000
571 A A -0.0552
572 P A -0.2739
573 G A 0.0357
574 Y A 1.2804
575 T A 0.1503
576 G A -0.6762
577 T A -0.5234
578 R A -1.8834
579 C A -0.3560
580 E A -0.7744
581 S A -0.4620
582 Q A -1.0765
583 V A 0.3815
584 D A -0.4970
585 E A -0.7545
586 C A 0.0000
587 R A -1.7840
588 S A -0.5570
589 Q A -0.4317
590 P A -0.2547
591 C A -0.2560
592 R A -1.9305
593 H A -1.0330
594 G A -0.6687
595 G A -0.8678
596 K A -1.6967
597 C A 0.2925
598 L A 0.7992
599 D A -0.1992
600 L A 0.5215
601 V A 1.4895
602 D A -1.5710
603 K A -0.9092
604 Y A 0.3059
605 L A 0.7587
606 C A 0.0000
607 R A -1.8296
608 C A -0.3619
609 P A -0.2223
610 S A -0.2475
611 G A -0.0769
612 T A -0.1003
613 T A -0.1296
614 G A -0.2925
615 V A 0.8378
616 N A 0.0406
617 C A 0.0000
618 E A -0.8224
619 V A 1.5197
620 N A 0.5029
621 I A 1.7040
622 D A -0.9821
623 D A -0.8596
624 C A 0.0227
625 A A -0.2802
626 S A -0.4496
627 N A -1.3598
628 P A -0.4809
629 C A 0.0310
630 T A 0.3428
631 F A 1.8770
632 G A 0.4187
633 V A 1.7439
634 C A 0.1580
635 R A -1.8948
636 D A -0.7901
637 G A 0.2079
638 I A 1.7527
639 N A -1.2453
640 R A -1.9936
641 Y A 0.0022
642 D A -0.3038
643 C A 0.3353
644 V A 1.1842
645 C A 0.0000
646 Q A -1.1157
647 P A -0.4864
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1995 F A 1.9173
1996 A A 0.3595
1997 N A -0.4897
1998 R A -0.1932
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2282 T A -0.0459
2283 T A -0.0899
2284 T A -0.1674
2285 G A -0.4676
2286 A A -0.0305
2287 L A 0.0000
2288 P A -0.1547
2289 A A -0.0545
2290 Q A -0.5281
2291 P A -0.3050
2292 L A 0.1843
2293 P A 0.0000
2294 L A 0.0000
2295 S A 0.0870
2296 V A 1.4137
2297 P A 0.0933
2298 S A -0.2000
2299 S A -0.0319
2300 L A 0.1716
2301 A A -0.0230
2302 Q A -0.5408
2303 A A -0.2067
2304 Q A -0.8411
2305 T A -0.4755
2306 Q A -1.1721
2307 L A -0.1292
2308 G A -0.3926
2309 P A -0.3698
2310 Q A -1.2570
2311 P A -0.8164
2312 E A -1.7786
2313 V A 0.0472
2314 T A 0.0057
2315 P A -0.5806
2316 K A -1.8155
2317 R A -0.7311
2318 Q A -0.2789
2319 V A 0.3015
2320 L A 0.0000
2321 A A 0.0421
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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, -0.2232 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_7 -0.2232 View CSV PDB
model_5 -0.2232 View CSV PDB
model_4 -0.2243 View CSV PDB
model_10 -0.2264 View CSV PDB
model_1 -0.2264 View CSV PDB
model_0 -0.2278 View CSV PDB
model_9 -0.2296 View CSV PDB
model_3 -0.2308 View CSV PDB
CABS_average -0.2314 View CSV PDB
model_2 -0.2346 View CSV PDB
model_8 -0.2376 View CSV PDB
model_11 -0.2455 View CSV PDB
model_6 -0.247 View CSV PDB
input -0.2868 View CSV PDB