Project name: WT_5_4D

Status: done

Started: 2026-06-02 01:57:23
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:22:58)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:39:42)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:40:45)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:41:48)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:42:45)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (13:43:43)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (13:44:39)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (13:45:38)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (13:46:36)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (13:47:39)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (13:48:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (13:49:40)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (13:50:38)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (13:51:34)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:53:30)
[INFO]       Main:     Simulation completed successfully.                                          (13:54:27)
Show buried residues

Minimal score value
-2.5213
Maximal score value
2.5683
Average score
-0.2393
Total score value
-555.4008

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 0.6665
2 G A -0.3235
3 P A 0.0000
4 G A -0.3519
5 A A -0.0730
6 R A -0.3946
7 G A -0.8786
8 R A -2.0276
9 R A -1.1955
10 R A -2.2775
11 R A -2.5213
12 R A -2.5182
13 R A -2.2294
14 P A -0.4067
15 M A 0.9961
16 S A 0.0978
17 P A -0.3083
18 P A -0.3159
19 P A -0.1343
20 P A -0.2682
21 P A -0.1072
22 P A -0.1618
23 P A 0.0400
24 V A 0.4207
25 R A -1.5022
26 A A -0.0029
27 L A 1.5044
28 P A 0.2921
29 L A 1.6566
30 L A 1.8717
31 L A 0.8843
32 L A 1.6041
33 L A 0.0000
34 A A -0.0068
35 G A -0.1291
36 P A -0.2838
37 G A -0.1397
38 A A 0.0268
39 A A 0.0256
40 A A -0.0127
41 P A -0.3142
42 P A -0.3264
43 C A 0.0000
44 L A 1.2170
45 D A -1.5918
46 G A -0.8058
47 S A 0.0000
48 P A -0.2549
49 C A 0.0000
50 A A -0.2401
51 N A -1.3626
52 G A -0.7882
53 G A -0.8377
54 R A -1.8859
55 C A -0.1836
56 T A -0.2098
57 Q A -1.1428
58 L A 0.0286
59 P A -0.2371
60 S A -0.4350
61 R A -1.3133
62 E A -1.9948
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.3597
67 C A 0.1961
68 P A -0.0908
69 P A -0.2329
70 G A -0.1496
71 W A 0.1535
72 V A 0.2111
73 G A -0.7636
74 E A -2.0541
75 R A -1.4680
76 C A -0.2112
77 Q A -0.2591
78 L A -0.0785
79 E A -1.7656
80 D A -0.6287
81 P A -0.0796
82 C A 0.0000
83 H A -1.0307
84 S A -0.4339
85 G A -0.2607
86 P A -0.2396
87 C A 0.2127
88 A A -0.0165
89 G A -0.8121
90 R A -1.9785
91 G A -0.2587
92 V A 1.7121
93 C A 0.6080
94 Q A -1.1161
95 S A -0.2722
96 S A 0.0000
97 V A 0.0000
98 V A 0.4814
99 A A 0.0713
100 G A -0.4701
101 T A -0.1360
102 A A -0.3269
103 R A -1.6824
104 F A 0.4556
105 S A 0.0023
106 C A -0.0754
107 R A -0.8569
108 C A 0.0000
109 P A -0.4008
110 R A -1.7672
111 G A -0.5345
112 F A 0.8313
113 R A -1.4984
114 G A -0.4074
115 P A -0.6023
116 D A -1.7647
117 C A 0.0175
118 S A 0.0332
119 L A 0.0852
120 P A 0.1055
121 D A -0.6719
122 P A -0.3615
123 C A 0.3014
124 L A 1.3674
125 S A 0.0397
126 S A 0.0078
127 P A -0.2370
128 C A 0.1226
129 A A -0.1166
130 H A -1.0559
131 G A -0.5688
132 A A -0.3784
133 R A -1.8093
134 C A -0.2571
135 S A -0.0083
136 V A 0.3853
137 G A -0.1445
138 P A -0.5559
139 D A -1.9097
140 G A -1.1410
141 R A -1.7672
142 F A 0.8327
143 L A 1.4191
144 C A 0.0000
145 S A -0.3488
146 C A 0.0000
147 P A -0.1429
148 P A -0.2749
149 G A 0.0000
150 Y A 0.0000
151 Q A -1.2225
152 G A 0.0000
153 R A -1.6377
154 S A -0.5048
155 C A -0.2699
156 R A -1.8601
157 S A -0.8808
158 D A -1.6456
159 V A 0.3395
160 D A -1.3987
161 E A 0.0000
162 C A -0.0578
163 R A -1.6511
164 V A 0.3032
165 G A -0.5000
166 E A -1.2346
167 P A -0.5104
168 C A -0.3288
169 R A -1.9580
170 H A -1.0057
171 G A -0.6825
172 G A -0.6476
173 T A -0.0456
174 C A 0.5898
175 L A 1.1323
176 N A -0.9670
177 T A -0.3369
178 P A -0.3511
179 G A -0.5540
180 S A -0.2527
181 F A -0.3178
182 R A -1.5698
183 C A -0.3542
184 Q A -1.0573
185 C A 0.2944
186 P A 0.0589
187 A A -0.0901
188 G A -0.2015
189 Y A 1.2045
190 T A 0.1603
191 G A -0.0259
192 P A 0.0054
193 L A 1.4181
194 C A 0.0000
195 E A -0.9971
196 N A -0.7104
197 P A 0.0588
198 A A 0.0868
199 V A 0.1454
200 P A -0.2181
201 C A 0.0000
202 A A -0.0418
203 P A -0.2647
204 S A -0.1232
205 P A -0.2035
206 C A -0.0734
207 R A -1.9447
208 N A -1.1637
209 G A -0.4918
210 G A -0.2139
211 T A -0.0692
212 C A -0.2637
213 R A -1.8801
214 Q A -0.6087
215 S A -0.2639
216 G A -0.8226
217 D A -1.8225
218 L A 0.1084
219 T A 0.1195
220 Y A 0.1643
221 D A -1.6862
222 C A 0.0000
223 A A 0.0804
224 C A 0.4265
225 L A 1.5240
226 P A 0.1537
227 G A -0.0419
228 F A -0.0826
229 E A -1.6402
230 G A -0.6952
231 Q A -1.3439
232 N A -1.1255
233 C A 0.0906
234 E A -0.7110
235 V A 0.9980
236 N A 0.1512
237 V A 0.7390
238 D A -1.7706
239 D A -1.3993
240 C A 0.0000
241 P A -0.4491
242 G A -0.7097
243 H A -1.4437
244 R A -2.0138
245 C A 0.0646
246 L A 1.3289
247 N A -1.0652
248 G A -0.7938
249 G A -0.5545
250 T A 0.0000
251 C A 0.7102
252 V A 0.7294
253 D A -1.6213
254 G A -0.3439
255 V A 1.4695
256 N A -0.9484
257 T A -0.2574
258 Y A -0.1213
259 N A -0.8528
260 C A -0.1942
261 Q A -1.1686
262 C A 0.0000
263 P A -0.1281
264 P A -0.3376
265 E A -1.3949
266 W A -0.3524
267 T A -0.1335
268 G A -0.7120
269 Q A -1.0008
270 F A 1.2833
271 C A 0.0000
272 T A -0.3801
273 E A -2.0327
274 D A -1.4609
275 V A -0.1237
276 D A -1.6535
277 E A -0.5068
278 C A 0.0000
279 Q A -0.9090
280 L A 1.2951
281 Q A 0.0896
282 P A -0.3091
283 N A -0.1677
284 A A 0.0502
285 C A 0.0311
286 H A -0.5834
287 N A -1.3477
288 G A -0.5276
289 G A -0.5172
290 T A -0.1292
291 C A 0.4476
292 F A 1.8866
293 N A 0.0256
294 T A 0.1809
295 L A 1.4878
296 G A -0.0119
297 G A -0.2280
298 H A -0.2915
299 S A 0.0706
300 C A 0.0000
301 V A 0.4527
302 C A 0.0000
303 V A 1.2195
304 N A -0.0221
305 G A -0.2243
306 W A 0.3183
307 T A -0.0120
308 G A -0.6822
309 E A -1.8972
310 S A -0.4570
311 C A -0.1794
312 S A 0.0000
313 Q A 0.0000
314 N A -0.3515
315 I A 0.0000
316 D A -1.8377
317 D A -0.5769
318 C A -0.0054
319 A A 0.0623
320 T A -0.0459
321 A A 0.1866
322 V A 0.9528
323 C A 0.0000
324 F A 1.7578
325 H A -0.7206
326 G A -0.6458
327 A A -0.0415
328 T A -0.0070
329 C A 0.0136
330 H A -1.0122
331 D A -0.6793
332 R A 0.0000
333 V A 0.3548
334 A A 0.0816
335 S A -0.0342
336 F A 0.5746
337 Y A 0.7929
338 C A 0.0000
339 A A 0.0072
340 C A 0.0000
341 P A -0.0588
342 M A 0.9168
343 G A -0.4614
344 K A -1.1138
345 T A -0.2163
346 G A 0.0000
347 L A 0.7282
348 L A 1.6432
349 C A 0.4274
350 H A 0.0000
351 L A 0.0000
352 D A -0.7340
353 D A -1.8580
354 A A -0.0920
355 C A 0.4486
356 V A 1.7823
357 S A 0.2157
358 N A -0.3982
359 P A -0.2882
360 C A -0.0600
361 H A -0.9410
362 E A -0.8852
363 D A -1.8596
364 A A -0.3666
365 I A 0.3279
366 C A 0.0000
367 D A -0.4277
368 T A 0.0000
369 N A -0.4107
370 P A -0.0765
371 V A 0.2030
372 N A -0.8559
373 G A -0.8668
374 R A -1.6045
375 A A -0.0667
376 I A 0.7882
377 C A 0.2765
378 T A -0.0002
379 C A 0.0000
380 P A -0.2661
381 P A -0.1951
382 G A -0.1613
383 F A 1.5338
384 T A 0.1615
385 G A -0.1568
386 G A -0.4579
387 A A -0.0148
388 C A -0.1081
389 D A -1.0728
390 Q A -0.4614
391 D A -1.1901
392 V A 0.1330
393 D A -2.0019
394 E A -2.0246
395 C A 0.3482
396 S A 0.0569
397 I A 0.5442
398 G A -0.2610
399 A A -0.2352
400 N A -1.2858
401 P A -0.1986
402 C A 0.5573
403 E A -0.4865
404 H A 0.0000
405 L A 0.2995
406 G A -0.1388
407 R A -0.3408
408 C A 0.2755
409 V A 0.0000
410 N A 0.0000
411 T A -0.2648
412 Q A -1.2016
413 G A 0.0000
414 S A -0.1650
415 F A 0.0000
416 L A 0.2512
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A -0.1826
421 R A 0.0000
422 G A -0.2202
423 Y A 0.0000
424 T A 0.0000
425 G A -0.3689
426 P A 0.0000
427 R A 0.0000
428 C A 0.0000
429 E A 0.0000
430 T A -0.1342
431 D A -0.1624
432 V A 1.6736
433 N A 0.0000
434 E A -0.7501
435 C A 0.5087
436 L A 0.3332
437 S A -0.1613
438 G A -0.2083
439 P A -0.0780
440 C A 0.0000
441 R A -0.3297
442 N A -0.8350
443 Q A -1.3053
444 A A 0.0000
445 T A 0.0000
446 C A 0.1847
447 L A 0.0732
448 D A -0.8890
449 R A -0.5232
450 I A 0.2456
451 G A 0.0000
452 Q A 0.0000
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 1.0600
459 A A 0.1483
460 G A -0.4225
461 F A 0.0953
462 T A -0.0541
463 G A -0.1361
464 T A -0.0917
465 Y A 0.0000
466 C A 0.0000
467 E A 0.0000
468 V A 0.1800
469 D A 0.0000
470 I A 1.2464
471 D A -0.6212
472 E A -1.3861
473 C A 0.0000
474 Q A -1.2386
475 S A -0.4657
476 S A -0.2296
477 P A -0.2640
478 C A 0.0000
479 V A 1.5880
480 N A -0.7913
481 G A -0.7423
482 G A -0.6550
483 V A 0.0000
484 C A -0.1649
485 K A -1.7354
486 D A -0.9954
487 R A -1.5907
488 V A 0.0000
489 N A -1.2896
490 G A -0.2354
491 F A 1.2749
492 S A 0.2062
493 C A 0.0716
494 T A -0.0268
495 C A 0.0919
496 P A -0.2385
497 S A -0.2043
498 G A -0.1081
499 F A 1.8292
500 S A 0.1612
501 G A -0.5283
502 S A -0.3097
503 T A -0.0645
504 C A -0.0763
505 Q A -1.1671
506 L A 0.0000
507 D A -0.9522
508 V A 0.0652
509 D A -1.9573
510 E A -1.8407
511 C A 0.0000
512 A A 0.0175
513 S A -0.2041
514 T A -0.1044
515 P A -0.2301
516 C A -0.2517
517 R A -2.0537
518 N A -1.7048
519 G A -0.7055
520 A A -0.3909
521 K A -1.6229
522 C A 0.4113
523 V A 1.7551
524 D A -0.3457
525 Q A -1.3116
526 P A -0.6070
527 D A -1.8182
528 G A -0.3527
529 Y A 0.6830
530 E A -1.4094
531 C A -0.5101
532 R A -1.7614
533 C A 0.0000
534 A A -0.0483
535 E A -0.3635
536 G A -0.3807
537 F A 0.1668
538 E A -1.7530
539 G A -0.8227
540 T A 0.2254
541 L A 1.6593
542 C A 0.8050
543 D A -0.8920
544 R A -1.9262
545 N A -1.2178
546 V A 0.1688
547 D A -1.9893
548 D A -2.1047
549 C A -0.2872
550 S A -0.1605
551 P A -0.4153
552 D A -1.8226
553 P A -0.5564
554 C A -0.0693
555 H A -0.4199
556 H A -1.0812
557 G A -0.7106
558 R A -1.8058
559 C A 0.2255
560 V A 0.4145
561 D A -1.6932
562 G A -0.4139
563 I A 1.9324
564 A A 0.3991
565 S A -0.0554
566 F A 0.3364
567 S A 0.0696
568 C A 0.3087
569 A A -0.0836
570 C A 0.1168
571 A A -0.0109
572 P A -0.2795
573 G A -0.1571
574 Y A -0.0461
575 T A -0.1279
576 G A -0.4922
577 T A -0.5123
578 R A -1.8566
579 C A 0.0000
580 E A -1.1051
581 S A -0.4803
582 Q A -1.1068
583 V A -0.1792
584 D A -1.7827
585 E A -0.5647
586 C A 0.2695
587 R A -1.7480
588 S A -0.5703
589 Q A -0.2862
590 P A -0.2315
591 C A 0.0341
592 R A -1.3256
593 H A -1.3097
594 G A -0.7406
595 G A -0.8306
596 K A -1.5160
597 C A 0.1377
598 L A 0.9176
599 D A -0.7522
600 L A 0.7137
601 V A 0.8800
602 D A -0.9881
603 K A -1.7606
604 Y A 0.0000
605 L A 0.5440
606 C A 0.0000
607 R A -1.8278
608 C A -0.3124
609 P A -0.2441
610 S A -0.1690
611 G A -0.4861
612 T A -0.1637
613 T A -0.0295
614 G A -0.0302
615 V A 1.4677
616 N A -0.9266
617 C A -0.5060
618 E A -1.7141
619 V A -0.0750
620 N A -0.7753
621 I A 0.5152
622 D A -1.5496
623 D A -0.6598
624 C A 0.2591
625 A A 0.0229
626 S A -0.2884
627 N A -0.5486
628 P A -0.3088
629 C A 0.2398
630 T A 0.3003
631 F A 1.7946
632 G A 0.3762
633 V A 1.7348
634 C A 0.1681
635 R A -1.6922
636 D A -1.2522
637 G A -0.0613
638 I A 1.7255
639 N A -1.2484
640 R A -2.0920
641 Y A 0.0000
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1936 D A -1.2080
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1938 L A 0.0000
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1940 K A -1.6013
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1950 N A -0.7769
1951 N A 0.0000
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1953 E A -0.3379
1954 A A 0.0000
1955 T A 0.0000
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1962 G A 0.0000
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1965 K A 0.0000
1966 D A 0.0000
1967 M A 0.0000
1968 Q A -0.4878
1969 D A -1.8525
1970 S A -0.8154
1971 K A -1.6404
1972 E A -1.9094
1973 E A -1.2985
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.9486
1982 E A -2.2158
1983 G A -0.8212
1984 S A 0.0000
1985 Y A 0.6444
1986 E A -0.5474
1987 A A 0.0000
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1989 K A -0.3176
1990 L A 0.0000
1991 L A 0.0000
1992 L A 0.0000
1993 D A -0.3044
1994 H A 0.0000
1995 F A 0.0000
1996 A A 0.0000
1997 N A -1.8047
1998 R A -2.3629
1999 E A -1.9339
2000 I A 0.0000
2001 T A -0.3411
2002 D A -1.9797
2003 H A -1.3313
2004 L A 0.0000
2005 D A -0.8201
2006 R A -1.7006
2007 L A -0.0283
2008 P A 0.0000
2009 R A -1.1005
2010 D A -1.9711
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2832
2015 R A -1.4185
2016 L A 1.1100
2017 H A -0.8931
2018 Q A -1.5461
2019 D A -1.4593
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2022 R A -2.1079
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2269 S A -0.4838
2270 T A -0.1090
2271 P A -0.0870
2272 S A -0.1061
2273 P A -0.1082
2274 A A -0.0063
2275 T A -0.0390
2276 A A -0.0050
2277 T A -0.0814
2278 G A -0.0857
2279 A A 0.0000
2280 M A 0.3162
2281 A A 0.0000
2282 T A 0.0000
2283 T A -0.0371
2284 T A -0.0824
2285 G A -0.3213
2286 A A 0.2482
2287 L A 1.4745
2288 P A 0.0000
2289 A A -0.0301
2290 Q A -0.3846
2291 P A 0.0000
2292 L A 1.4981
2293 P A 0.0460
2294 L A 0.0000
2295 S A 0.1559
2296 V A 0.5712
2297 P A 0.0443
2298 S A -0.1513
2299 S A -0.1022
2300 L A 0.6403
2301 A A 0.1058
2302 Q A -0.4185
2303 A A -0.2613
2304 Q A -1.2005
2305 T A -0.3459
2306 Q A 0.0557
2307 L A 1.4576
2308 G A 0.0117
2309 P A -0.3278
2310 Q A -0.2041
2311 P A -0.4506
2312 E A -1.8350
2313 V A 0.0000
2314 T A -0.0361
2315 P A -0.4148
2316 K A -2.0791
2317 R A -2.4052
2318 Q A -1.5495
2319 V A 0.0000
2320 L A 1.5588
2321 A A 0.3534
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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, -0.2393 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 -0.2393 View CSV PDB
model_2 -0.2403 View CSV PDB
model_10 -0.241 View CSV PDB
model_0 -0.2417 View CSV PDB
model_9 -0.2423 View CSV PDB
model_4 -0.2448 View CSV PDB
model_1 -0.2451 View CSV PDB
CABS_average -0.2462 View CSV PDB
model_11 -0.2466 View CSV PDB
model_8 -0.2479 View CSV PDB
model_7 -0.2533 View CSV PDB
model_6 -0.2546 View CSV PDB
model_5 -0.2583 View CSV PDB
input -0.2788 View CSV PDB