Project name: notch3

Status: done

Started: 2025-03-12 10:28:57
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]                                                (00:00:01)
[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]       PDB-Info: The input structure is partially or entirely disordered. Average score is   
                       recommended for pH analysis.                                                (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:15:56)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/43cd515b9a1c950/tmp/folded.pdb                (00:15:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:28:47)
Show buried residues

Minimal score value
-4.7501
Maximal score value
5.9829
Average score
-0.7444
Total score value
-1727.6546

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 0.6521
2 G A -0.0736
3 P A -0.7313
4 G A -1.1822
5 A A -1.7504
6 R A -3.2846
7 G A -2.7782
8 R A -4.1751
9 R A -4.7501
10 R A -4.5098
11 R A -4.4427
12 R A -4.3810
13 R A -3.2014
14 P A -1.0570
15 M A 0.4178
16 S A 0.0591
17 P A -0.3115
18 P A -0.6061
19 P A -0.6084
20 P A -0.5944
21 P A -0.6101
22 P A -0.2235
23 P A 0.0537
24 V A 0.7508
25 R A -0.7258
26 A A 0.1024
27 L A 1.3892
28 P A 1.6565
29 L A 3.1025
30 L A 3.5008
31 L A 3.8761
32 L A 3.6521
33 L A 2.5278
34 A A 0.9481
35 G A -0.3431
36 P A -0.6759
37 G A -0.6465
38 A A -0.1744
39 A A -0.0298
40 A A -0.1108
41 P A -0.8804
42 P A -0.8734
43 C A -0.4125
44 L A 0.5068
45 D A -1.3616
46 G A -1.0302
47 S A -1.1341
48 P A -1.3304
49 C A -1.7492
50 A A -1.7420
51 N A -2.0091
52 G A -1.5189
53 G A 0.0000
54 R A -1.9207
55 C A -0.7267
56 T A -0.8074
57 Q A -1.5532
58 L A -0.7138
59 P A -1.0027
60 S A -1.5833
61 R A -2.8632
62 E A -2.7581
63 A A -1.9033
64 A A -1.3583
65 C A -1.1356
66 L A -0.1221
67 C A -0.5417
68 P A -0.3344
69 P A -0.4644
70 G A -0.9034
71 W A -1.0017
72 V A -0.7911
73 G A -1.3157
74 E A -2.5242
75 R A -2.9775
76 C A 0.0000
77 Q A -1.9772
78 L A -1.4564
79 E A -2.1422
80 D A -1.6714
81 P A -1.3185
82 C A -1.0208
83 H A -1.5200
84 S A -1.1342
85 G A -0.7860
86 P A -0.4044
87 C A -0.7526
88 A A -0.9952
89 G A -1.0987
90 R A -1.3493
91 G A -0.8002
92 V A 0.2831
93 C A -0.4468
94 Q A -1.1481
95 S A -0.7195
96 S A -0.1815
97 V A 0.5440
98 V A 1.1449
99 A A 0.4456
100 G A -0.2696
101 T A -0.2061
102 A A -0.4938
103 R A -1.0829
104 F A -0.5753
105 S A -0.8287
106 C A 0.0000
107 R A -1.7537
108 C A -1.0530
109 P A -0.7198
110 R A -1.1691
111 G A -0.3545
112 F A -0.3221
113 R A -0.7372
114 G A -0.6135
115 P A -0.8025
116 D A -0.7390
117 C A 0.0000
118 S A -0.5576
119 L A 0.3523
120 P A 0.1129
121 D A -0.2691
122 P A 0.0750
123 C A 0.4110
124 L A 1.1076
125 S A 0.3889
126 S A -0.0144
127 P A -0.0413
128 C A -1.0675
129 A A -1.5083
130 H A -1.5595
131 G A -1.2653
132 A A 0.0000
133 R A -1.8101
134 C A -0.1868
135 S A -0.7945
136 V A 0.0000
137 G A -2.8181
138 P A -2.6367
139 D A -2.6395
140 G A -2.1713
141 R A -2.3635
142 F A -0.5743
143 L A 0.2404
144 C A -0.4359
145 S A -0.9155
146 C A -1.2532
147 P A -0.7837
148 P A -0.5548
149 G A -0.7435
150 Y A -1.2500
151 Q A -2.0447
152 G A -2.1248
153 R A -2.2065
154 S A -1.7500
155 C A 0.0000
156 R A -2.7725
157 S A -2.0301
158 D A -1.5654
159 V A -0.9044
160 D A -1.1907
161 E A -1.7282
162 C A -1.5709
163 R A -1.8226
164 V A -0.0169
165 G A -1.2207
166 E A -2.4437
167 P A -1.5939
168 C A -1.9711
169 R A -2.8982
170 H A -2.1303
171 G A -1.8171
172 G A -1.7705
173 T A -1.3081
174 C A -1.4712
175 L A -0.9504
176 N A -1.3463
177 T A -0.8595
178 P A -0.8617
179 G A -1.0405
180 S A -0.8905
181 F A -0.9027
182 R A -1.9230
183 C A -1.4812
184 Q A -1.6101
185 C A -1.2928
186 P A -0.4785
187 A A -0.1653
188 G A -0.3410
189 Y A -0.7218
190 T A -0.8868
191 G A -0.8962
192 P A -1.1720
193 L A -1.3165
194 C A 0.0000
195 E A -2.0594
196 N A -1.7528
197 P A -0.6425
198 A A 0.5077
199 V A 1.6434
200 P A 0.6991
201 C A -0.0025
202 A A 0.3423
203 P A -0.0306
204 S A -0.8304
205 P A -0.8571
206 C A -1.7718
207 R A -2.8308
208 N A -1.9793
209 G A -1.0114
210 G A -1.3954
211 T A -0.9144
212 C A -1.5853
213 R A -2.6122
214 Q A -2.2383
215 S A -1.4921
216 G A -1.2798
217 D A -1.1026
218 L A 0.7282
219 T A -0.4975
220 Y A -1.1420
221 D A -2.0305
222 C A -1.6203
223 A A -0.8521
224 C A -0.4501
225 L A 0.7261
226 P A 0.2218
227 G A 0.0731
228 F A -0.0559
229 E A -1.9241
230 G A -2.2746
231 Q A -2.4046
232 N A -2.2759
233 C A 0.0000
234 E A -2.3912
235 V A -1.1328
236 N A 0.0000
237 V A 0.6200
238 D A -0.9879
239 D A -1.7316
240 C A -1.5610
241 P A -1.3691
242 G A -1.4094
243 H A -1.8588
244 R A -2.1439
245 C A -1.2962
246 L A -0.2579
247 N A -1.0794
248 G A -0.9309
249 G A -0.9723
250 T A -0.8608
251 C A -0.8829
252 V A -0.6529
253 D A -0.6410
254 G A -0.2503
255 V A 0.6701
256 N A -0.9217
257 T A -0.7873
258 Y A -1.2407
259 N A -1.8657
260 C A -1.3945
261 Q A -1.3566
262 C A -1.1571
263 P A -0.9312
264 P A -0.9369
265 E A -1.3311
266 W A -1.3058
267 T A -1.5915
268 G A -1.3442
269 Q A -1.7964
270 F A -1.2732
271 C A 0.0000
272 T A -1.2137
273 E A -2.4387
274 D A -1.7628
275 V A -1.2998
276 D A -1.4483
277 E A -1.3396
278 C A -0.9590
279 Q A -1.2145
280 L A -0.1154
281 Q A -1.5147
282 P A -1.5108
283 N A -2.2726
284 A A -1.5556
285 C A 0.0000
286 H A -2.2410
287 N A -2.1559
288 G A -1.2766
289 G A -0.6407
290 T A 0.4380
291 C A 0.2467
292 F A 1.2562
293 N A -0.1998
294 T A 0.1775
295 L A 0.5775
296 G A -0.3910
297 G A -0.5330
298 H A -0.6691
299 S A -0.0799
300 C A 0.3178
301 V A 1.1580
302 C A 0.1347
303 V A 0.4499
304 N A -0.4089
305 G A 0.0000
306 W A -0.6581
307 T A -0.9117
308 G A -1.3347
309 E A -2.0555
310 S A -1.6775
311 C A 0.0000
312 S A -1.8638
313 Q A -2.1997
314 N A -1.8681
315 I A -1.4729
316 D A -2.4000
317 D A -1.5086
318 C A -0.9389
319 A A -0.6055
320 T A -0.1233
321 A A 0.5190
322 V A 1.0236
323 C A 1.0973
324 F A 1.1547
325 H A -0.5675
326 G A -0.4354
327 A A 0.2174
328 T A 0.1792
329 C A 0.2110
330 H A -0.8857
331 D A -1.9123
332 R A -1.1275
333 V A -0.0999
334 A A -0.5011
335 S A -0.3513
336 F A -0.2327
337 Y A 0.3532
338 C A 0.0000
339 A A 0.6064
340 C A 0.4273
341 P A -0.0648
342 M A 0.4314
343 G A -0.6037
344 K A -1.6998
345 T A -0.6962
346 G A 0.1225
347 L A 1.9103
348 L A 1.1270
349 C A 0.0000
350 H A -0.9515
351 L A -1.2337
352 D A -2.7549
353 D A -1.8259
354 A A -0.4027
355 C A 0.3489
356 V A 1.5267
357 S A 0.8748
358 N A -0.6256
359 P A 0.1629
360 C A -0.8316
361 H A -2.1895
362 E A -2.8947
363 D A -2.3474
364 A A -0.4200
365 I A 1.1361
366 C A 0.4393
367 D A -1.1709
368 T A -1.2077
369 N A -1.1371
370 P A -0.6118
371 V A 0.9289
372 N A -1.2467
373 G A -1.7518
374 R A -1.0281
375 A A 0.1854
376 I A 1.2546
377 C A 0.9882
378 T A 0.6080
379 C A 0.1558
380 P A 0.1245
381 P A -0.0696
382 G A -0.7182
383 F A -0.5448
384 T A -0.9523
385 G A -1.2047
386 G A -0.7198
387 A A -0.8661
388 C A 0.0000
389 D A -2.6100
390 Q A -2.4111
391 D A -2.3975
392 V A -0.9198
393 D A -1.2340
394 E A -0.6247
395 C A -0.3269
396 S A 0.1051
397 I A 1.3430
398 G A 0.1441
399 A A -0.3658
400 N A -1.5024
401 P A -0.9890
402 C A 0.0000
403 E A -2.7135
404 H A -1.5257
405 L A -0.1384
406 G A 0.0000
407 R A -2.1677
408 C A 0.0000
409 V A -0.2291
410 N A -0.9892
411 T A -1.0636
412 Q A -1.8497
413 G A -1.3640
414 S A -0.6704
415 F A -0.0672
416 L A 0.5257
417 C A -1.0961
418 Q A -1.5297
419 C A -1.4490
420 G A -1.4470
421 R A -1.6546
422 G A -0.8532
423 Y A -0.8527
424 T A -1.0068
425 G A -1.0110
426 P A -0.9468
427 R A -2.1052
428 C A 0.0000
429 E A -1.9490
430 T A -1.0367
431 D A -1.1878
432 V A 0.0958
433 N A -0.3454
434 E A -0.5390
435 C A -0.1842
436 L A 0.9859
437 S A 0.1017
438 G A -0.4689
439 P A -0.3585
440 C A -1.0165
441 R A -2.4075
442 N A -2.3118
443 Q A -1.8161
444 A A -0.6090
445 T A 0.1309
446 C A 0.1354
447 L A -0.9015
448 D A 0.0000
449 R A -2.1426
450 I A 0.0302
451 G A -0.5793
452 Q A -0.9122
453 F A -0.3446
454 T A 0.0476
455 C A 0.8136
456 I A 1.8141
457 C A 0.7309
458 M A 0.3584
459 A A 0.3381
460 G A 0.0000
461 F A -0.2047
462 T A 0.2359
463 G A -0.1598
464 T A 0.0931
465 Y A -0.1122
466 C A 0.0000
467 E A -1.5044
468 V A -0.0760
469 D A -1.6763
470 I A -1.0038
471 D A -2.4946
472 E A -2.5588
473 C A -2.0186
474 Q A -1.9034
475 S A -1.1543
476 S A -0.4728
477 P A 0.0260
478 C A 0.3520
479 V A 0.7022
480 N A -0.7590
481 G A -0.1792
482 G A 0.3842
483 V A 1.4280
484 C A -0.4479
485 K A -2.5463
486 D A -3.8769
487 R A -3.0923
488 V A -0.6803
489 N A -1.4559
490 G A -1.4567
491 F A -1.7682
492 S A -1.0525
493 C A 0.1483
494 T A 0.4045
495 C A 0.4532
496 P A -0.1007
497 S A -0.4942
498 G A -1.1843
499 F A -0.3563
500 S A -0.1575
501 G A -0.0654
502 S A -0.1053
503 T A 0.2051
504 C A 0.0000
505 Q A -0.3835
506 L A 0.1895
507 D A -1.7932
508 V A -0.9659
509 D A -2.5953
510 E A -2.7592
511 C A -1.6335
512 A A -0.9275
513 S A -0.7828
514 T A -0.7281
515 P A -0.7357
516 C A -1.7523
517 R A -2.8776
518 N A -2.7820
519 G A -2.0933
520 A A 0.0000
521 K A -2.9380
522 C A -1.9563
523 V A -1.7802
524 D A -3.0798
525 Q A -2.7398
526 P A -2.1925
527 D A -2.7473
528 G A -1.9553
529 Y A -1.7112
530 E A -1.9909
531 C A -2.0943
532 R A -2.9571
533 C A -2.8225
534 A A -1.8920
535 E A -1.7831
536 G A 0.0000
537 F A -2.2874
538 E A -2.9940
539 G A -2.1421
540 T A -1.3346
541 L A -1.6398
542 C A 0.0000
543 D A -3.1270
544 R A -3.3134
545 N A -2.1550
546 V A -1.1594
547 D A -2.0758
548 D A -1.9188
549 C A -1.9703
550 S A -1.6961
551 P A -1.5968
552 D A -2.4495
553 P A -1.7093
554 C A -1.9948
555 H A -2.5167
556 H A -2.0963
557 G A -1.7819
558 R A -2.3213
559 C A -1.5390
560 V A -0.7074
561 D A -1.6451
562 G A -0.0633
563 I A 1.0219
564 A A -0.1398
565 S A -0.1270
566 F A -0.6419
567 S A -0.5317
568 C A -1.1248
569 A A -0.5086
570 C A -0.9186
571 A A -0.4709
572 P A -0.4671
573 G A -0.8674
574 Y A -0.9604
575 T A -0.9235
576 G A -1.2167
577 T A -0.9972
578 R A -2.0694
579 C A 0.0000
580 E A -2.7892
581 S A -1.7944
582 Q A -1.5854
583 V A -1.3967
584 D A -2.3607
585 E A -2.5074
586 C A -2.2974
587 R A -2.8926
588 S A -2.0252
589 Q A -2.5515
590 P A -1.5924
591 C A -1.8358
592 R A -2.6749
593 H A -1.5681
594 G A -1.9748
595 G A -2.3762
596 K A -2.6196
597 C A 0.0000
598 L A -0.9345
599 D A -1.2437
600 L A -0.1850
601 V A 0.1032
602 D A -1.9973
603 K A -1.6334
604 Y A -0.5960
605 L A 0.3080
606 C A -0.9084
607 R A -2.1003
608 C A -1.2578
609 P A -1.2063
610 S A -0.4916
611 G A -0.6490
612 T A 0.0000
613 T A 0.1923
614 G A 0.2890
615 V A 1.3460
616 N A -0.4959
617 C A 0.0000
618 E A -0.4418
619 V A 0.8572
620 N A -0.0663
621 I A -0.0211
622 D A -2.0754
623 D A -2.5400
624 C A -2.0885
625 A A -1.2066
626 S A -1.0726
627 N A -1.2460
628 P A -0.5256
629 C A 0.1999
630 T A 0.3007
631 F A 0.9809
632 G A 0.6448
633 V A 1.1949
634 C A -0.4242
635 R A -2.7198
636 D A -2.8458
637 G A -2.1332
638 I A -0.9028
639 N A -2.1604
640 R A -2.9727
641 Y A -2.5194
642 D A -2.1072
643 C A -0.1962
644 V A 0.7707
645 C A 0.6296
646 Q A -0.8577
647 P A -1.1355
648 G A -1.7579
649 F A -0.5776
650 T A 0.2553
651 G A 0.1427
652 P A -0.1305
653 L A 0.7462
654 C A 0.0000
655 N A -0.3763
656 V A 0.6554
657 E A -1.6432
658 I A -0.8621
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1998 R A -1.3881
1999 E A -2.0356
2000 I A -1.4697
2001 T A -1.5160
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2011 V A 0.0000
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2014 E A -2.5907
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2016 L A -0.3743
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2243 P A -0.2581
2244 Y A 1.7293
2245 L A 2.0435
2246 T A 0.7356
2247 P A -0.1213
2248 S A -0.8938
2249 P A -1.3622
2250 E A -2.0924
2251 S A -1.6811
2252 P A -1.7377
2253 E A -2.2320
2254 H A -1.3657
2255 W A 0.3247
2256 A A 0.2768
2257 S A -0.1725
2258 P A -0.5179
2259 S A -0.5844
2260 P A -0.6141
2261 P A -0.2360
2262 S A 0.1583
2263 L A 0.9257
2264 S A -0.1824
2265 D A -1.1766
2266 W A -0.0971
2267 S A -1.0665
2268 E A -2.0010
2269 S A -1.3104
2270 T A -0.7299
2271 P A -0.7294
2272 S A -0.5029
2273 P A -0.4836
2274 A A -0.6143
2275 T A -0.5846
2276 A A -0.5421
2277 T A -0.4067
2278 G A -0.3974
2279 A A 0.1798
2280 M A 0.8940
2281 A A 0.3823
2282 T A -0.1740
2283 T A -0.8517
2284 T A -0.8673
2285 G A -0.3931
2286 A A 0.5609
2287 L A 1.3496
2288 P A 0.4213
2289 A A -0.3796
2290 Q A -1.0650
2291 P A -0.0470
2292 L A 1.4666
2293 P A 1.3308
2294 L A 1.7256
2295 S A 1.4691
2296 V A 1.8758
2297 P A 0.8051
2298 S A 0.2997
2299 S A 0.5469
2300 L A 1.1406
2301 A A 0.2778
2302 Q A -1.0478
2303 A A -1.1411
2304 Q A -1.7979
2305 T A -1.2296
2306 Q A -0.9138
2307 L A 0.5208
2308 G A -0.4420
2309 P A -0.8698
2310 Q A -1.8339
2311 P A -1.6047
2312 E A -1.3057
2313 V A 0.6758
2314 T A -0.1594
2315 P A -1.0946
2316 K A -2.9776
2317 R A -2.9373
2318 Q A -1.0758
2319 V A 1.4618
2320 L A 2.1438
2321 A A 1.1369
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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 -0.0107 7.2394 View CSV PDB
4.5 -0.0922 7.2394 View CSV PDB
5.0 -0.1925 7.2394 View CSV PDB
5.5 -0.2973 7.2394 View CSV PDB
6.0 -0.3936 7.2394 View CSV PDB
6.5 -0.4737 7.2394 View CSV PDB
7.0 -0.537 7.2394 View CSV PDB
7.5 -0.5888 7.2394 View CSV PDB
8.0 -0.633 7.2394 View CSV PDB
8.5 -0.6684 7.2394 View CSV PDB
9.0 -0.6908 7.2394 View CSV PDB