Project name: NOTCH3

Status: done

Started: 2025-11-19 01:45:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
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]       PDB-Info: The input structure is partially or entirely disordered. Average score is   
                       recommended for pH analysis.                                                (00:00:46)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:46)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:05)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/b0885460e17c11c/tmp/folded.pdb                (00:35:05)
[INFO]       Main:     Simulation completed successfully.                                          (01:25:17)
Show buried residues

Minimal score value
-4.9827
Maximal score value
5.5715
Average score
-0.7293
Total score value
-1692.8056

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 0.6732
2 G A -0.1317
3 P A -0.6524
4 G A -1.0837
5 A A -1.3411
6 R A -2.9095
7 G A -2.8773
8 R A -4.1814
9 R A -4.5276
10 R A -4.8753
11 R A -4.9827
12 R A -3.9827
13 R A -3.4371
14 P A -1.6248
15 M A 0.0588
16 S A -0.2795
17 P A -0.3511
18 P A -0.5348
19 P A -0.6680
20 P A -0.6291
21 P A -0.6618
22 P A -0.2134
23 P A 0.0574
24 V A 0.7252
25 R A -0.6574
26 A A 0.1599
27 L A 1.3604
28 P A 1.5506
29 L A 2.7788
30 L A 3.4007
31 L A 3.7707
32 L A 3.4661
33 L A 2.6290
34 A A 0.7949
35 G A -0.3107
36 P A -0.6746
37 G A -0.6405
38 A A -0.2183
39 A A -0.2274
40 A A -0.4759
41 P A -0.9357
42 P A -0.8503
43 C A -0.5443
44 L A 0.5690
45 D A -1.3112
46 G A -0.9787
47 S A -1.0165
48 P A -0.9549
49 C A -1.3691
50 A A -1.5086
51 N A -1.7043
52 G A -1.2984
53 G A 0.0000
54 R A -1.5841
55 C A -0.7632
56 T A -0.7949
57 Q A -1.5505
58 L A -0.9949
59 P A -1.1205
60 S A -1.6756
61 R A -2.8886
62 E A -2.8124
63 A A -2.0117
64 A A -1.2077
65 C A -0.7413
66 L A 0.5674
67 C A -0.1197
68 P A -0.1823
69 P A -0.3961
70 G A -0.8931
71 W A -0.8172
72 V A -0.5460
73 G A -1.0807
74 E A -2.1548
75 R A -2.3254
76 C A 0.0000
77 Q A -1.6596
78 L A -1.3085
79 E A -2.1855
80 D A -1.5820
81 P A -1.2641
82 C A -1.0181
83 H A -1.6111
84 S A -1.1438
85 G A -0.7014
86 P A -0.5279
87 C A -0.8063
88 A A -0.8955
89 G A -1.0497
90 R A -1.9325
91 G A -1.0900
92 V A -0.0592
93 C A -0.4502
94 Q A -1.0826
95 S A -0.6576
96 S A -0.1113
97 V A 0.4493
98 V A 0.6290
99 A A 0.1788
100 G A -0.4566
101 T A -0.4014
102 A A -0.5505
103 R A -1.3140
104 F A -0.0945
105 S A -0.6567
106 C A -1.0094
107 R A -2.0171
108 C A -1.3764
109 P A -1.4110
110 R A -1.8630
111 G A -0.5049
112 F A -0.3721
113 R A -0.8539
114 G A -0.7235
115 P A -0.7956
116 D A -0.8658
117 C A 0.0000
118 S A -0.0849
119 L A 0.4992
120 P A -0.0140
121 D A -0.3027
122 P A -0.0159
123 C A 0.7010
124 L A 1.0097
125 S A 0.4518
126 S A 0.0041
127 P A -0.0010
128 C A -0.9672
129 A A -1.4429
130 H A -1.5440
131 G A -1.2990
132 A A 0.0000
133 R A -1.8473
134 C A -0.0581
135 S A 0.1248
136 V A 0.1554
137 G A -0.6274
138 P A -1.3817
139 D A -2.4397
140 G A -1.9103
141 R A -1.8384
142 F A 0.0576
143 L A 0.7814
144 C A -0.3489
145 S A -0.9119
146 C A -1.3551
147 P A -0.7557
148 P A -0.3956
149 G A -0.7338
150 Y A -1.2134
151 Q A -1.9710
152 G A -2.2787
153 R A -2.2356
154 S A -1.7726
155 C A 0.0000
156 R A -2.7919
157 S A -1.9489
158 D A -1.5523
159 V A -0.6985
160 D A -1.2253
161 E A -1.6910
162 C A -1.5587
163 R A -1.8355
164 V A -0.0556
165 G A -1.1064
166 E A -2.4171
167 P A -1.6156
168 C A -1.7694
169 R A -2.6174
170 H A -1.7092
171 G A -1.5747
172 G A -1.4350
173 T A -0.9967
174 C A -1.1950
175 L A -0.5439
176 N A -1.0708
177 T A -0.7456
178 P A -0.7183
179 G A -0.7961
180 S A -0.8545
181 F A -0.9118
182 R A -1.6110
183 C A -1.1386
184 Q A -1.1257
185 C A -0.5863
186 P A -0.5504
187 A A 0.0138
188 G A -0.3307
189 Y A -0.5385
190 T A -0.7424
191 G A -0.8133
192 P A -1.0586
193 L A -1.0283
194 C A 0.0000
195 E A -1.8489
196 N A -1.7174
197 P A -0.6169
198 A A 0.4688
199 V A 1.6919
200 P A 0.9016
201 C A -0.0780
202 A A 0.2614
203 P A 0.1380
204 S A -0.7006
205 P A -0.6235
206 C A 0.0000
207 R A -1.4702
208 N A -1.3299
209 G A -0.9127
210 G A -1.2062
211 T A -0.7947
212 C A -1.5044
213 R A -2.7186
214 Q A -2.4048
215 S A -1.6094
216 G A -1.3454
217 D A -1.1592
218 L A 0.8430
219 T A -0.4811
220 Y A -1.3334
221 D A -2.1682
222 C A -1.4856
223 A A -0.8752
224 C A -0.6757
225 L A -0.1613
226 P A -0.5634
227 G A -0.2985
228 F A 0.0000
229 E A -2.1395
230 G A -2.1952
231 Q A -2.2920
232 N A -2.0495
233 C A 0.0000
234 E A -2.4353
235 V A -0.9901
236 N A -0.3807
237 V A 0.7046
238 D A -0.2597
239 D A -1.1269
240 C A 0.0000
241 P A -1.2128
242 G A -1.5197
243 H A -1.7852
244 R A -1.9465
245 C A -1.3463
246 L A -0.1328
247 N A -0.8479
248 G A -0.6859
249 G A 0.0000
250 T A -1.1282
251 C A 0.0000
252 V A -0.6195
253 D A -0.5095
254 G A -0.1184
255 V A 0.5628
256 N A -0.7926
257 T A -0.7075
258 Y A -1.0245
259 N A -1.5653
260 C A -1.2565
261 Q A -1.3384
262 C A -0.7381
263 P A -0.7648
264 P A -0.9693
265 E A -1.6279
266 W A -1.7683
267 T A -1.6873
268 G A -1.5945
269 Q A -1.8491
270 F A -1.2334
271 C A 0.0000
272 T A -1.4394
273 E A -2.9220
274 D A -2.3764
275 V A -1.4517
276 D A -1.4452
277 E A -1.4447
278 C A -1.0511
279 Q A -1.1936
280 L A -0.0048
281 Q A -1.4419
282 P A -1.3764
283 N A -1.9158
284 A A -1.0609
285 C A 0.0000
286 H A -0.6923
287 N A -0.7423
288 G A -0.6183
289 G A 0.0008
290 T A 0.7724
291 C A 0.2880
292 F A 0.9785
293 N A -0.7919
294 T A -0.1594
295 L A 0.4668
296 G A -0.6697
297 G A -0.8132
298 H A -0.7411
299 S A -0.1252
300 C A 0.4896
301 V A 1.8823
302 C A 0.8091
303 V A 0.7701
304 N A -0.5357
305 G A -0.3695
306 W A -0.3758
307 T A -0.7800
308 G A -1.2862
309 E A -1.8586
310 S A -1.1423
311 C A 0.0000
312 S A -1.4486
313 Q A -1.7712
314 N A -1.5379
315 I A -1.0214
316 D A -2.1535
317 D A -1.7036
318 C A -0.6949
319 A A -0.3525
320 T A 0.0406
321 A A 0.8572
322 V A 2.1420
323 C A 1.5523
324 F A 0.7349
325 H A -0.6213
326 G A -0.6595
327 A A 0.3233
328 T A 0.2755
329 C A 0.5135
330 H A -0.9615
331 D A -1.9695
332 R A -1.8191
333 V A -0.3087
334 A A -0.6354
335 S A -0.5793
336 F A 0.0189
337 Y A 1.2794
338 C A 0.0000
339 A A 0.6945
340 C A 0.5120
341 P A 0.0855
342 M A 0.3127
343 G A -0.8485
344 K A -1.4345
345 T A -0.6698
346 G A 0.3678
347 L A 1.8142
348 L A 1.4688
349 C A 0.0000
350 H A -0.9025
351 L A -1.0957
352 D A -2.5882
353 D A -2.2784
354 A A -1.2647
355 C A -0.3304
356 V A 0.8562
357 S A 0.0657
358 N A -1.2226
359 P A -0.4012
360 C A -1.2835
361 H A -2.5099
362 E A -3.0170
363 D A -2.4372
364 A A -0.5284
365 I A 0.9766
366 C A -0.0257
367 D A -1.3459
368 T A 0.0000
369 N A -1.1596
370 P A -0.6198
371 V A 0.7152
372 N A -1.3475
373 G A -1.8597
374 R A -1.8505
375 A A -0.8165
376 I A 0.5119
377 C A 0.6407
378 T A 0.5439
379 C A 0.0729
380 P A 0.0043
381 P A -0.1357
382 G A -0.6314
383 F A -0.8289
384 T A -0.9569
385 G A -1.4933
386 G A -1.5596
387 A A -1.0288
388 C A 0.0000
389 D A -2.6707
390 Q A -2.4740
391 D A -2.3094
392 V A -0.9452
393 D A -1.1145
394 E A -0.5295
395 C A -0.4353
396 S A 0.0046
397 I A 1.2653
398 G A 0.1023
399 A A -0.4355
400 N A -1.4672
401 P A -0.8389
402 C A 0.0000
403 E A -2.1813
404 H A -1.4219
405 L A -0.0513
406 G A 0.0000
407 R A -2.1109
408 C A 0.0000
409 V A -0.3578
410 N A -1.0493
411 T A -1.0229
412 Q A -1.8886
413 G A -1.3036
414 S A -0.5864
415 F A 0.0501
416 L A 0.4546
417 C A -0.9339
418 Q A -1.4669
419 C A -1.4314
420 G A -1.5560
421 R A -1.7206
422 G A -0.9794
423 Y A -1.1060
424 T A -1.0589
425 G A -0.9765
426 P A -0.8831
427 R A -1.8919
428 C A 0.0000
429 E A -1.8958
430 T A -1.1025
431 D A -1.5182
432 V A -0.1490
433 N A -0.5059
434 E A -0.6975
435 C A -0.0227
436 L A 1.0479
437 S A 0.1038
438 G A -0.5217
439 P A -0.3187
440 C A -0.7815
441 R A -2.2028
442 N A -2.1298
443 Q A -1.6956
444 A A 0.0000
445 T A 0.3344
446 C A 0.4612
447 L A 0.3694
448 D A -1.1357
449 R A -1.7370
450 I A -0.2402
451 G A -0.8008
452 Q A -0.9012
453 F A -0.5934
454 T A 0.2411
455 C A 1.0074
456 I A 1.9965
457 C A 0.8495
458 M A 0.2521
459 A A 0.2889
460 G A 0.0000
461 F A 0.0125
462 T A 0.4547
463 G A -0.0815
464 T A 0.1839
465 Y A 0.0232
466 C A 0.0000
467 E A -1.0960
468 V A 0.2778
469 D A -1.1433
470 I A -0.4532
471 D A -2.2455
472 E A -2.3628
473 C A -1.9899
474 Q A -1.8329
475 S A -1.1341
476 S A -0.4424
477 P A 0.0080
478 C A 0.4655
479 V A 0.5676
480 N A -0.6002
481 G A -0.2321
482 G A 0.4299
483 V A 1.3748
484 C A -0.1616
485 K A -2.1703
486 D A -2.7979
487 R A -2.5507
488 V A -0.5880
489 N A -1.3790
490 G A -1.2664
491 F A -1.2372
492 S A -0.6174
493 C A 0.3659
494 T A 0.3986
495 C A 0.4357
496 P A -0.1315
497 S A -0.3825
498 G A -0.5958
499 F A 0.1602
500 S A 0.1883
501 G A -0.2218
502 S A -0.0419
503 T A 0.3365
504 C A 0.0000
505 Q A -0.4117
506 L A 0.2165
507 D A -1.2775
508 V A -0.4129
509 D A -2.2733
510 E A -2.2959
511 C A -1.1786
512 A A -0.6544
513 S A -0.6222
514 T A -0.5875
515 P A -0.5999
516 C A -1.5710
517 R A -2.8200
518 N A -2.8071
519 G A -1.9647
520 A A -2.4086
521 K A -2.6096
522 C A 0.0000
523 V A -1.2647
524 D A -1.6708
525 Q A -2.0017
526 P A -1.9714
527 D A -2.5940
528 G A -1.5193
529 Y A -0.7869
530 E A -1.1143
531 C A -1.2539
532 R A -2.1782
533 C A -2.0443
534 A A -1.8879
535 E A -1.6532
536 G A 0.0000
537 F A -2.2521
538 E A -3.1761
539 G A -2.1310
540 T A -1.1118
541 L A -1.3703
542 C A 0.0000
543 D A -3.6550
544 R A -3.5276
545 N A -2.7527
546 V A -1.7245
547 D A -2.1857
548 D A -1.2760
549 C A -1.6301
550 S A -1.5492
551 P A -1.4331
552 D A -2.4248
553 P A -1.7069
554 C A -1.9210
555 H A -2.2238
556 H A -1.7088
557 G A -1.7718
558 R A -2.2740
559 C A -1.6150
560 V A -0.9060
561 D A -1.9131
562 G A -0.8238
563 I A -0.0503
564 A A -0.4186
565 S A -0.3594
566 F A 0.0000
567 S A -0.9408
568 C A 0.0000
569 A A -1.0054
570 C A -1.0828
571 A A -0.4827
572 P A -0.4181
573 G A -0.7221
574 Y A -0.6695
575 T A -0.9030
576 G A -1.3289
577 T A -1.2707
578 R A -2.3681
579 C A 0.0000
580 E A -2.5032
581 S A -1.8093
582 Q A -1.6610
583 V A -1.1250
584 D A -1.7595
585 E A -1.9902
586 C A 0.0000
587 R A -2.7095
588 S A -1.8064
589 Q A -2.4903
590 P A -1.3877
591 C A -1.8643
592 R A -2.7866
593 H A -1.8816
594 G A -2.1008
595 G A -2.5034
596 K A -2.6178
597 C A -1.6757
598 L A -0.9333
599 D A -1.5240
600 L A -0.0764
601 V A 0.1903
602 D A -1.9466
603 K A -1.8662
604 Y A -0.2748
605 L A 0.1646
606 C A 0.0000
607 R A -2.0994
608 C A -1.3831
609 P A -1.1417
610 S A -0.2041
611 G A -0.3780
612 T A -0.3460
613 T A 0.1781
614 G A 0.2564
615 V A 1.3104
616 N A -0.5463
617 C A 0.0000
618 E A -0.3745
619 V A 0.7876
620 N A 0.0474
621 I A 0.3194
622 D A -2.0308
623 D A -2.7377
624 C A -2.1157
625 A A -1.0567
626 S A -1.2105
627 N A -1.2659
628 P A -0.3309
629 C A 0.3802
630 T A 0.5212
631 F A 1.2156
632 G A 1.0017
633 V A 1.4154
634 C A -0.2659
635 R A -2.5468
636 D A -2.7071
637 G A -1.9011
638 I A -0.6246
639 N A -2.0088
640 R A -2.8374
641 Y A -2.2267
642 D A -1.7530
643 C A 0.1500
644 V A 1.2157
645 C A 1.1287
646 Q A -0.5081
647 P A -1.0180
648 G A -1.1723
649 F A 0.0196
650 T A 0.4827
651 G A 0.2246
652 P A 0.0159
653 L A 0.9575
654 C A 0.0000
655 N A -0.3188
656 V A 0.7986
657 E A -1.0857
658 I A -0.1294
659 N A -1.8624
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2242 H A -1.8749
2243 P A -0.1811
2244 Y A 1.8339
2245 L A 2.1346
2246 T A 0.7483
2247 P A -0.1240
2248 S A -0.8376
2249 P A -1.3057
2250 E A -2.1335
2251 S A -1.6162
2252 P A -1.7660
2253 E A -2.2314
2254 H A -1.3781
2255 W A 0.3055
2256 A A 0.2574
2257 S A -0.1335
2258 P A -0.4200
2259 S A -0.5764
2260 P A -0.6244
2261 P A -0.2019
2262 S A 0.3098
2263 L A 0.8710
2264 S A 0.0023
2265 D A -1.0132
2266 W A -0.2980
2267 S A -1.0801
2268 E A -2.1118
2269 S A -1.2218
2270 T A -0.7304
2271 P A -0.5010
2272 S A -0.4769
2273 P A -0.4013
2274 A A -0.1286
2275 T A -0.1318
2276 A A -0.1265
2277 T A -0.1363
2278 G A -0.1514
2279 A A 0.2950
2280 M A 0.9431
2281 A A 0.5216
2282 T A 0.1529
2283 T A -0.1593
2284 T A -0.6472
2285 G A -0.4838
2286 A A 0.3774
2287 L A 1.0179
2288 P A 0.3389
2289 A A -0.1077
2290 Q A -0.8199
2291 P A -0.3123
2292 L A 0.9969
2293 P A 0.7010
2294 L A 1.1750
2295 S A 1.0291
2296 V A 0.6108
2297 P A -0.1739
2298 S A 0.1161
2299 S A 0.5120
2300 L A 1.1516
2301 A A -0.1085
2302 Q A -1.0876
2303 A A -1.0257
2304 Q A -1.7509
2305 T A -1.0917
2306 Q A -0.8527
2307 L A 0.6717
2308 G A -0.4549
2309 P A -0.7895
2310 Q A -2.0064
2311 P A -1.6267
2312 E A -1.4139
2313 V A 0.4982
2314 T A -0.3429
2315 P A -1.4364
2316 K A -2.7058
2317 R A -3.0953
2318 Q A -1.3168
2319 V A 1.4056
2320 L A 2.3624
2321 A A 1.4316
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Calculations for various pH values

This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 0.0002 7.5008 View CSV PDB
4.5 -0.08 7.4233 View CSV PDB
5.0 -0.1784 7.3155 View CSV PDB
5.5 -0.2804 7.1958 View CSV PDB
6.0 -0.3738 7.0824 View CSV PDB
6.5 -0.4517 6.9943 View CSV PDB
7.0 -0.514 6.9427 View CSV PDB
7.5 -0.565 6.9203 View CSV PDB
8.0 -0.6081 6.9122 View CSV PDB
8.5 -0.642 6.9095 View CSV PDB
9.0 -0.6633 6.9086 View CSV PDB