Project name: R558C_5_4D

Status: done

Started: 2026-05-22 01:12:37
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGCCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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                                          (00:00:03)
[INFO]       CABS:     Running CABS flex simulation                                                (00:32:32)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:09:41)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:10:59)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:12:21)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:13:42)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:15:03)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:16:21)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:17:42)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:19:02)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:20:21)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:21:41)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:22:59)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:24:17)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:25:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (20:28:13)
[INFO]       Main:     Simulation completed successfully.                                          (20:29:28)
Show buried residues

Minimal score value
-2.3914
Maximal score value
2.5064
Average score
-0.2289
Total score value
-531.2972

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 1.0439
2 G A 0.1482
3 P A 0.0000
4 G A -0.4066
5 A A -0.1759
6 R A -0.8769
7 G A -0.8465
8 R A -1.4972
9 R A -1.7873
10 R A -1.8261
11 R A -1.2099
12 R A -2.0156
13 R A -0.7260
14 P A -0.2464
15 M A 0.3236
16 S A 0.0000
17 P A -0.0393
18 P A -0.0501
19 P A -0.1185
20 P A -0.2526
21 P A -0.2552
22 P A -0.3122
23 P A -0.0472
24 V A 0.9571
25 R A -1.5847
26 A A -0.2451
27 L A 0.2451
28 P A -0.2228
29 L A 0.0000
30 L A 1.2584
31 L A 0.0000
32 L A 0.1628
33 L A 0.4703
34 A A 0.0000
35 G A -0.1910
36 P A -0.3171
37 G A -0.2315
38 A A -0.0217
39 A A 0.2329
40 A A 0.0620
41 P A 0.0000
42 P A -0.2734
43 C A 0.0000
44 L A 1.3789
45 D A -0.5583
46 G A -0.6417
47 S A -0.1547
48 P A -0.2898
49 C A 0.0000
50 A A -0.0188
51 N A -0.4344
52 G A -0.3382
53 G A -0.4991
54 R A 0.0000
55 C A 0.2095
56 T A -0.2282
57 Q A -0.9137
58 L A 1.2721
59 P A 0.0039
60 S A -0.4574
61 R A -1.4562
62 E A -2.0344
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 1.5643
67 C A 0.3220
68 P A -0.3340
69 P A -0.3686
70 G A -0.2360
71 W A 0.4592
72 V A 0.0000
73 G A 0.0000
74 E A -0.8570
75 R A -1.9409
76 C A 0.0000
77 Q A -1.1600
78 L A -0.3579
79 E A -1.9655
80 D A -1.3533
81 P A -0.1599
82 C A 0.6534
83 H A -0.3710
84 S A -0.2913
85 G A 0.0000
86 P A -0.1646
87 C A 0.4512
88 A A 0.0629
89 G A -0.8066
90 R A -2.0216
91 G A -0.6369
92 V A 0.9913
93 C A 0.7795
94 Q A 0.0000
95 S A 0.0028
96 S A 0.0000
97 V A 0.0000
98 V A 0.2600
99 A A 0.0501
100 G A -0.2925
101 T A -0.0862
102 A A 0.0000
103 R A -1.3850
104 F A 0.0820
105 S A 0.0000
106 C A 0.1058
107 R A -0.2204
108 C A -0.0028
109 P A -0.4816
110 R A -1.8334
111 G A -0.5724
112 F A 0.9515
113 R A 0.0000
114 G A 0.0000
115 P A 0.0000
116 D A -1.7397
117 C A -0.2476
118 S A 0.0804
119 L A 0.5959
120 P A 0.1291
121 D A -0.2595
122 P A -0.0769
123 C A 0.0000
124 L A 0.2395
125 S A -0.1810
126 S A -0.1750
127 P A -0.2471
128 C A 0.0902
129 A A 0.0480
130 H A -0.2458
131 G A -0.5000
132 A A -0.0931
133 R A 0.0000
134 C A 0.0000
135 S A 0.0000
136 V A 0.0000
137 G A -0.1281
138 P A -0.4296
139 D A -1.8811
140 G A -1.0746
141 R A -1.2630
142 F A 1.0642
143 L A 0.0000
144 C A 0.0000
145 S A 0.0000
146 C A 0.0556
147 P A -0.2458
148 P A -0.1860
149 G A 0.0000
150 Y A 0.3991
151 Q A -0.0401
152 G A 0.0000
153 R A -1.8766
154 S A -0.4151
155 C A 0.1715
156 R A -1.7535
157 S A -0.7781
158 D A -1.6604
159 V A -0.4181
160 D A -1.8141
161 E A -0.7831
162 C A -0.0069
163 R A -0.6809
164 V A -0.0634
165 G A -0.5014
166 E A -0.5221
167 P A -0.3094
168 C A -0.2863
169 R A -1.8970
170 H A -0.7748
171 G A -0.3677
172 G A -0.5156
173 T A -0.1156
174 C A 0.5620
175 L A 1.0044
176 N A -0.9127
177 T A -0.3154
178 P A -0.3460
179 G A -0.5360
180 S A -0.0546
181 F A 0.2577
182 R A -1.5388
183 C A 0.0000
184 Q A -0.6281
185 C A 0.0000
186 P A -0.2139
187 A A -0.0051
188 G A -0.1630
189 Y A 0.1090
190 T A 0.0000
191 G A -0.2005
192 P A -0.2352
193 L A 0.2175
194 C A 0.0000
195 E A -1.3593
196 N A -1.3882
197 P A -0.2771
198 A A 0.3280
199 V A 1.5009
200 P A 0.1387
201 C A 0.4448
202 A A 0.1274
203 P A -0.1381
204 S A -0.1932
205 P A -0.1255
206 C A -0.2428
207 R A -2.0626
208 N A -1.7135
209 G A -0.7928
210 G A -0.5562
211 T A -0.2047
212 C A -0.2533
213 R A -2.0546
214 Q A -1.4992
215 S A -0.5290
216 G A -0.8441
217 D A -1.6051
218 L A 1.1055
219 T A 0.3449
220 Y A 0.2109
221 D A -1.6505
222 C A 0.0000
223 A A 0.0755
224 C A 0.1894
225 L A 0.3879
226 P A -0.1816
227 G A -0.1248
228 F A 0.1461
229 E A -1.1050
230 G A -0.9016
231 Q A -1.5175
232 N A -1.4801
233 C A -0.5537
234 E A -1.2877
235 V A 0.9166
236 N A -0.9066
237 V A 0.2051
238 D A 0.0000
239 D A -1.5101
240 C A 0.0000
241 P A -0.3421
242 G A -0.7019
243 H A -1.4088
244 R A -1.8329
245 C A 0.3864
246 L A 1.0309
247 N A -1.1417
248 G A -0.7940
249 G A -0.5565
250 T A -0.0819
251 C A 0.4239
252 V A 1.4376
253 D A -1.3984
254 G A -0.1794
255 V A 1.5260
256 N A -0.7896
257 T A -0.4121
258 Y A 0.1763
259 N A -0.0371
260 C A 0.0000
261 Q A -0.3571
262 C A -0.0349
263 P A -0.2540
264 P A -0.4689
265 E A -1.8083
266 W A -0.2304
267 T A -0.0905
268 G A -0.3867
269 Q A -1.0970
270 F A 0.5138
271 C A 0.0000
272 T A -0.2052
273 E A -0.6869
274 D A 0.0000
275 V A 0.2019
276 D A 0.0000
277 E A -0.2083
278 C A 0.0000
279 Q A -0.0576
280 L A 0.3044
281 Q A -0.4785
282 P A -0.2803
283 N A -0.1681
284 A A 0.0283
285 C A 0.0000
286 H A -0.4083
287 N A 0.0000
288 G A 0.0000
289 G A 0.0000
290 T A 0.0000
291 C A 0.0000
292 F A 0.0000
293 N A 0.0000
294 T A -0.0286
295 L A 0.1093
296 G A -0.4459
297 G A -0.2536
298 H A -0.4119
299 S A -0.1582
300 C A 0.0000
301 V A 0.4122
302 C A 0.0000
303 V A 0.1408
304 N A -0.8084
305 G A -0.5559
306 W A 0.0106
307 T A -0.0439
308 G A -0.3983
309 E A -1.8014
310 S A -0.4283
311 C A 0.3882
312 S A -0.2749
313 Q A -1.2568
314 N A -0.0185
315 I A 1.8912
316 D A -0.2367
317 D A -0.4150
318 C A 0.4745
319 A A 0.3687
320 T A -0.0628
321 A A 0.0000
322 V A 1.7934
323 C A 0.7880
324 F A 1.7909
325 H A -0.5899
326 G A -0.6203
327 A A -0.0310
328 T A 0.0419
329 C A 0.0218
330 H A -0.9662
331 D A -1.3948
332 R A -1.9344
333 V A 0.0413
334 A A 0.0804
335 S A 0.0124
336 F A 0.7278
337 Y A 1.0044
338 C A 0.0000
339 A A 0.0143
340 C A 0.0000
341 P A -0.0550
342 M A 0.9166
343 G A -0.3499
344 K A -0.5301
345 T A -0.0750
346 G A 0.1528
347 L A 1.3884
348 L A 1.8196
349 C A 0.6995
350 H A -0.2181
351 L A -0.0151
352 D A -1.5939
353 D A -2.0371
354 A A -0.4207
355 C A 0.5178
356 V A 1.7935
357 S A 0.1438
358 N A -0.6693
359 P A -0.3100
360 C A 0.2331
361 H A -0.5650
362 E A -2.2090
363 D A -2.1288
364 A A -0.4637
365 I A 0.4461
366 C A 0.0000
367 D A -0.3356
368 T A -0.1158
369 N A -0.2831
370 P A -0.1967
371 V A 0.6319
372 N A 0.0000
373 G A -0.4581
374 R A -1.6740
375 A A -0.3107
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.0685
381 P A -0.1096
382 G A 0.0008
383 F A 0.3293
384 T A 0.0000
385 G A 0.0000
386 G A -0.0493
387 A A -0.0011
388 C A 0.0000
389 D A -1.8408
390 Q A -0.8714
391 D A -1.3888
392 V A 0.0000
393 D A -0.1716
394 E A 0.0000
395 C A 0.7261
396 S A 0.3619
397 I A 1.2188
398 G A -0.1342
399 A A -0.2448
400 N A -1.2020
401 P A -0.1420
402 C A 0.6758
403 E A -0.1199
404 H A -0.1791
405 L A 0.0000
406 G A -0.2434
407 R A -0.7606
408 C A -0.1846
409 V A 0.0000
410 N A 0.0000
411 T A 0.0000
412 Q A 0.0000
413 G A -0.4663
414 S A 0.0000
415 F A 0.1931
416 L A 0.0000
417 C A 0.0000
418 Q A -0.2322
419 C A 0.0000
420 G A 0.0000
421 R A 0.0000
422 G A 0.0000
423 Y A 0.0000
424 T A 0.0000
425 G A 0.0000
426 P A 0.0000
427 R A -1.8441
428 C A 0.0000
429 E A -0.6158
430 T A -0.3150
431 D A -0.6180
432 V A 0.7358
433 N A -0.3072
434 E A 0.0000
435 C A 0.0000
436 L A 0.0000
437 S A -0.1763
438 G A -0.4405
439 P A 0.0000
440 C A 0.0000
441 R A -0.7434
442 N A -1.4314
443 Q A -0.6530
444 A A 0.0000
445 T A 0.0000
446 C A 0.0000
447 L A 0.0000
448 D A -0.4189
449 R A -1.0204
450 I A 0.3854
451 G A -0.0731
452 Q A -0.4505
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 0.6032
459 A A 0.0000
460 G A -0.2822
461 F A 0.1825
462 T A 0.0117
463 G A 0.0000
464 T A 0.0000
465 Y A 0.4520
466 C A 0.0000
467 E A -0.6325
468 V A 0.0000
469 D A 0.0000
470 I A 2.0126
471 D A 0.0000
472 E A -0.1978
473 C A 0.0000
474 Q A -1.2386
475 S A -0.4580
476 S A -0.1450
477 P A -0.0138
478 C A 0.3915
479 V A 0.8324
480 N A -1.1894
481 G A -0.7373
482 G A -0.2603
483 V A 0.7219
484 C A 0.0965
485 K A -1.1939
486 D A 0.0000
487 R A -1.7794
488 V A -0.2679
489 N A -1.2294
490 G A 0.0619
491 F A 1.9081
492 S A 0.2022
493 C A 0.2584
494 T A 0.0061
495 C A 0.0000
496 P A -0.2674
497 S A -0.1891
498 G A 0.0884
499 F A 1.8540
500 S A 0.1386
501 G A -0.5182
502 S A -0.3689
503 T A -0.0577
504 C A 0.0751
505 Q A -0.7869
506 L A 0.0000
507 D A -0.8432
508 V A 1.3625
509 D A -0.7550
510 E A -1.8766
511 C A 0.1083
512 A A 0.0780
513 S A -0.2133
514 T A -0.1261
515 P A -0.2291
516 C A -0.2341
517 R A -2.0004
518 N A -1.4424
519 G A -0.6524
520 A A -0.4044
521 K A -1.6501
522 C A 0.0110
523 V A 0.0612
524 D A -1.4714
525 Q A -1.1682
526 P A -0.5114
527 D A -0.5900
528 G A -0.1967
529 Y A -0.2487
530 E A -1.7437
531 C A -0.5017
532 R A -1.6724
533 C A 0.3868
534 A A -0.0072
535 E A -1.1487
536 G A -0.6165
537 F A -0.1086
538 E A -1.4408
539 G A -0.7830
540 T A -0.0330
541 L A 0.7926
542 C A 0.7899
543 D A -0.3178
544 R A -0.4088
545 N A -0.0507
546 V A 1.2510
547 D A -0.8959
548 D A -1.8477
549 C A 0.1491
550 S A -0.1227
551 P A -0.4299
552 D A -1.8528
553 P A -0.5929
554 C A 0.0714
555 H A -0.6769
556 H A -1.1793
557 G A -0.6382
558 C A 0.0376
559 C A 0.5983
560 V A 1.5918
561 D A -0.3084
562 G A -0.1467
563 I A 0.5762
564 A A 0.0975
565 S A -0.1597
566 F A 0.1111
567 S A 0.1041
568 C A 0.0000
569 A A 0.0544
570 C A 0.1071
571 A A 0.0005
572 P A -0.3267
573 G A -0.2090
574 Y A 1.2227
575 T A 0.0000
576 G A -0.1400
577 T A -0.4404
578 R A -1.8574
579 C A 0.0000
580 E A -1.8326
581 S A -0.5726
582 Q A -0.7903
583 V A -0.1992
584 D A -1.7876
585 E A -0.6869
586 C A 0.0000
587 R A -1.8497
588 S A -0.6157
589 Q A -1.2137
590 P A -0.3849
591 C A 0.0000
592 R A -2.0291
593 H A -1.3759
594 G A -0.4020
595 G A -0.4929
596 K A -1.6898
597 C A 0.0244
598 L A 0.7173
599 D A -0.1639
600 L A 1.0261
601 V A 1.6332
602 D A -1.7751
603 K A -1.6980
604 Y A 1.0175
605 L A 1.7449
606 C A 0.0000
607 R A -1.8753
608 C A -0.3021
609 P A -0.2094
610 S A -0.2664
611 G A -0.2077
612 T A -0.1344
613 T A 0.0000
614 G A -0.4937
615 V A 0.6128
616 N A -0.9102
617 C A -0.2270
618 E A -1.5765
619 V A 0.4655
620 N A -0.1110
621 I A 1.8285
622 D A -0.2447
623 D A -1.7498
624 C A 0.1833
625 A A 0.0712
626 S A -0.4477
627 N A -1.3628
628 P A -0.4530
629 C A 0.2151
630 T A 0.3177
631 F A 1.7414
632 G A 0.4747
633 V A 1.8123
634 C A 0.3123
635 R A -1.8735
636 D A -0.7703
637 G A -0.0919
638 I A 1.5513
639 N A -1.2434
640 R A -1.7377
641 Y A 0.3368
642 D A -0.4181
643 C A 0.2163
644 V A 1.1481
645 C A 0.0941
646 Q A -1.0093
647 P A -0.5611
648 G A -0.0613
649 F A 0.4384
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1952 V A 0.3134
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1954 A A 0.0000
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1971 K A -0.4243
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
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1980 A A 0.0000
1981 R A -0.5039
1982 E A -0.7766
1983 G A -0.2973
1984 S A 0.1920
1985 Y A 1.0311
1986 E A -1.2389
1987 A A 0.0000
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1990 L A 0.1615
1991 L A 0.0000
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1993 D A -1.9086
1994 H A -0.9667
1995 F A 0.0000
1996 A A -0.1430
1997 N A -0.7942
1998 R A 0.0000
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2000 I A 0.0000
2001 T A 0.0000
2002 D A -0.6405
2003 H A -0.2725
2004 L A -0.0869
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2008 P A 0.0000
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2010 D A -1.5011
2011 V A -0.0567
2012 A A 0.0000
2013 Q A -1.5769
2014 E A -2.3914
2015 R A -2.0183
2016 L A 0.8451
2017 H A -0.8250
2018 Q A -1.6708
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2277 T A -0.2077
2278 G A -0.3003
2279 A A -0.0392
2280 M A 0.0000
2281 A A 0.0000
2282 T A -0.0256
2283 T A -0.0807
2284 T A -0.0735
2285 G A -0.1039
2286 A A 0.3227
2287 L A 1.4709
2288 P A 0.1864
2289 A A -0.0325
2290 Q A -0.2611
2291 P A -0.0779
2292 L A 1.0882
2293 P A 0.1244
2294 L A 0.6410
2295 S A 0.2278
2296 V A 1.5172
2297 P A 0.1272
2298 S A -0.2800
2299 S A 0.0453
2300 L A 1.4278
2301 A A 0.1821
2302 Q A -0.5627
2303 A A -0.1395
2304 Q A -0.2913
2305 T A -0.1264
2306 Q A 0.0000
2307 L A 0.5935
2308 G A -0.0673
2309 P A -0.3024
2310 Q A -1.1151
2311 P A -0.6486
2312 E A -0.3376
2313 V A 1.6552
2314 T A 0.3122
2315 P A -0.3651
2316 K A -2.0447
2317 R A -2.2836
2318 Q A -0.9456
2319 V A 0.6756
2320 L A 1.6574
2321 A A 0.1971
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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, -0.2289 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_1 -0.2289 View CSV PDB
model_11 -0.2298 View CSV PDB
model_6 -0.233 View CSV PDB
model_5 -0.2357 View CSV PDB
model_4 -0.2381 View CSV PDB
model_10 -0.2388 View CSV PDB
CABS_average -0.2394 View CSV PDB
model_0 -0.2402 View CSV PDB
model_8 -0.2411 View CSV PDB
model_3 -0.2423 View CSV PDB
model_9 -0.2456 View CSV PDB
model_7 -0.2495 View CSV PDB
model_2 -0.2498 View CSV PDB
input -0.2806 View CSV PDB