Project name: V237M

Status: done

Started: 2026-05-15 06:37:17
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNMDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:12)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2d3538b40da96a4/tmp/folded.pdb                (00:18:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:49)
Show buried residues

Minimal score value
-4.8661
Maximal score value
5.8884
Average score
-0.7537
Total score value
-1749.3756

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 0.7150
2 G A -0.1984
3 P A -0.6950
4 G A -1.0128
5 A A -1.5264
6 R A -2.8926
7 G A -3.0165
8 R A -4.1373
9 R A -4.6024
10 R A -4.8661
11 R A -4.7684
12 R A -4.2662
13 R A -3.3138
14 P A -1.4146
15 M A 0.0273
16 S A -0.2187
17 P A -0.3383
18 P A -0.5167
19 P A -0.6835
20 P A -0.6933
21 P A -0.3976
22 P A -0.3485
23 P A -0.0876
24 V A 0.8641
25 R A -0.6654
26 A A 0.7236
27 L A 2.1110
28 P A 2.0014
29 L A 3.6936
30 L A 4.1715
31 L A 4.0345
32 L A 3.7976
33 L A 3.2162
34 A A 1.5753
35 G A 0.2218
36 P A -0.4681
37 G A -0.6718
38 A A -0.3111
39 A A -0.1364
40 A A -0.0284
41 P A -0.6699
42 P A -0.9333
43 C A -0.6624
44 L A 0.4854
45 D A -1.3257
46 G A -0.9895
47 S A -1.1404
48 P A -1.2364
49 C A 0.0000
50 A A -1.5384
51 N A -1.7207
52 G A -1.3377
53 G A 0.0000
54 R A -1.7348
55 C A 0.0000
56 T A -0.7407
57 Q A -1.6252
58 L A -0.9218
59 P A -1.1165
60 S A -1.6570
61 R A -2.8872
62 E A -2.7935
63 A A -1.9015
64 A A -1.2606
65 C A -0.9648
66 L A 0.4984
67 C A -0.2559
68 P A -0.1889
69 P A -0.4707
70 G A -1.0120
71 W A -1.1036
72 V A -0.9121
73 G A -1.1656
74 E A -2.3039
75 R A -2.7071
76 C A 0.0000
77 Q A -1.8467
78 L A -1.5373
79 E A -2.2983
80 D A -1.5809
81 P A -1.3580
82 C A -0.9237
83 H A -1.5502
84 S A -1.1493
85 G A -0.8630
86 P A -0.3851
87 C A -0.7175
88 A A -0.5307
89 G A -0.9872
90 R A -1.6515
91 G A -1.0326
92 V A 0.4773
93 C A -0.1184
94 Q A -0.4863
95 S A -0.4004
96 S A -0.0096
97 V A 0.7536
98 V A 1.5591
99 A A 0.6201
100 G A -0.1804
101 T A -0.1657
102 A A -0.5409
103 R A -1.3556
104 F A -0.6849
105 S A -0.7166
106 C A -0.8241
107 R A -1.6707
108 C A -1.0950
109 P A -1.2673
110 R A -1.7649
111 G A -0.3614
112 F A -0.3277
113 R A -0.6947
114 G A -0.5566
115 P A -0.7593
116 D A -0.7747
117 C A 0.0000
118 S A -0.2825
119 L A 0.4151
120 P A -0.1175
121 D A -0.1649
122 P A 0.1275
123 C A 0.3280
124 L A 0.8227
125 S A 0.2981
126 S A -0.0998
127 P A -0.3202
128 C A -1.0837
129 A A -1.4964
130 H A -1.6601
131 G A -1.2711
132 A A -1.5091
133 R A -1.7868
134 C A -0.1524
135 S A -0.0160
136 V A 0.1029
137 G A -0.6327
138 P A -1.2202
139 D A -2.2774
140 G A -1.5461
141 R A -1.9577
142 F A -0.4463
143 L A 0.2145
144 C A -0.6637
145 S A -0.8836
146 C A -1.2687
147 P A -0.8048
148 P A -0.4907
149 G A -0.8565
150 Y A -1.6903
151 Q A -2.3987
152 G A -2.4505
153 R A -2.3493
154 S A -1.8653
155 C A 0.0000
156 R A -2.9003
157 S A -2.2353
158 D A -1.8519
159 V A -1.2237
160 D A -1.2983
161 E A -1.6620
162 C A -1.5497
163 R A -1.8363
164 V A 0.0473
165 G A -1.0642
166 E A -2.4011
167 P A -1.6293
168 C A 0.0000
169 R A -3.0989
170 H A -2.2287
171 G A -1.7694
172 G A -1.7820
173 T A -1.2828
174 C A -1.4753
175 L A -0.5390
176 N A -1.2428
177 T A -0.8475
178 P A -0.9764
179 G A -1.1129
180 S A -0.8935
181 F A -1.0634
182 R A -1.9335
183 C A -1.6624
184 Q A -1.5557
185 C A -1.3421
186 P A -0.6548
187 A A 0.1276
188 G A 0.0865
189 Y A -0.6536
190 T A -0.8321
191 G A -1.2773
192 P A -1.2056
193 L A -1.4998
194 C A 0.0000
195 E A -2.0369
196 N A -1.7871
197 P A -0.6426
198 A A 0.2771
199 V A 1.0004
200 P A -0.0541
201 C A -0.2456
202 A A 0.2310
203 P A -0.0013
204 S A -0.7099
205 P A -1.0051
206 C A 0.0000
207 R A -2.8318
208 N A -1.8610
209 G A -1.3054
210 G A -1.4874
211 T A -1.1755
212 C A -1.8321
213 R A -2.9225
214 Q A -2.4007
215 S A -1.7259
216 G A -1.3562
217 D A -1.1228
218 L A 0.7300
219 T A -0.5031
220 Y A -1.5995
221 D A -2.7913
222 C A -2.1150
223 A A -0.8604
224 C A -0.7502
225 L A 0.1971
226 P A 0.0144
227 G A 0.0000
228 F A -1.0152
229 E A -1.9323
230 G A -1.8218
231 Q A -2.3208
232 N A -2.2613
233 C A 0.0000
234 E A -2.0733
235 V A -0.6485
236 N A -0.7638
237 M A -1.0395
238 D A -1.8929
239 D A -2.0376
240 C A -1.7066
241 P A -1.5011
242 G A -1.3711
243 H A -1.6713
244 R A -2.1507
245 C A -1.0980
246 L A -0.1939
247 N A -0.9736
248 G A -0.6760
249 G A -0.8784
250 T A -0.6646
251 C A -0.8171
252 V A -0.2447
253 D A -1.0195
254 G A -0.3229
255 V A 0.6928
256 N A -0.8977
257 T A -0.7837
258 Y A -1.3303
259 N A -1.8011
260 C A -1.3267
261 Q A -1.3626
262 C A -1.1703
263 P A -0.6638
264 P A -0.7508
265 E A -1.1526
266 W A -1.1567
267 T A -1.4707
268 G A -1.6539
269 Q A -1.9620
270 F A -1.4628
271 C A 0.0000
272 T A -1.3063
273 E A -2.0998
274 D A -1.3378
275 V A -0.8575
276 D A -0.9913
277 E A -1.1523
278 C A -0.9807
279 Q A -1.1571
280 L A 0.0044
281 Q A -1.4567
282 P A -1.5173
283 N A -2.1270
284 A A -1.5411
285 C A 0.0000
286 H A -1.8907
287 N A -1.5022
288 G A -0.9126
289 G A -0.1745
290 T A 0.5025
291 C A -0.0041
292 F A 0.4877
293 N A -0.5131
294 T A 0.1589
295 L A 0.7509
296 G A -0.3949
297 G A -0.3212
298 H A -0.6428
299 S A -0.2002
300 C A 0.4533
301 V A 1.7737
302 C A 0.4764
303 V A 0.7346
304 N A -0.2579
305 G A 0.0000
306 W A -0.3103
307 T A -0.7738
308 G A -1.2430
309 E A -2.0001
310 S A -1.4599
311 C A 0.0000
312 S A -1.5408
313 Q A -1.8536
314 N A -1.1988
315 I A -0.6183
316 D A -1.7121
317 D A -0.9100
318 C A -0.4521
319 A A -0.1870
320 T A 0.1004
321 A A 0.8335
322 V A 1.9938
323 C A 1.6565
324 F A 1.0142
325 H A -0.7985
326 G A -0.4924
327 A A 0.2385
328 T A 0.2001
329 C A 0.2415
330 H A -0.8272
331 D A -1.5308
332 R A -1.4843
333 V A 0.2146
334 A A -0.2048
335 S A -0.4718
336 F A 0.1175
337 Y A 0.7649
338 C A 0.0000
339 A A 0.7901
340 C A 0.3543
341 P A 0.1676
342 M A 0.8607
343 G A 0.0320
344 K A -0.9064
345 T A -0.6320
346 G A 0.5510
347 L A 2.1385
348 L A 1.7048
349 C A 0.0000
350 H A -0.2074
351 L A -1.1231
352 D A -2.3216
353 D A -1.5485
354 A A -1.1476
355 C A -0.2413
356 V A 1.0310
357 S A 0.0036
358 N A -0.9326
359 P A -0.9476
360 C A -1.2323
361 H A -2.2249
362 E A -3.6284
363 D A -2.5061
364 A A 0.0000
365 I A 1.0520
366 C A -0.0297
367 D A -1.1554
368 T A 0.0000
369 N A -0.9156
370 P A -0.1955
371 V A 0.9252
372 N A -1.1506
373 G A -1.8088
374 R A -2.2730
375 A A -1.0821
376 I A 0.4047
377 C A 0.0107
378 T A 0.4798
379 C A -0.3014
380 P A -0.3684
381 P A -0.5393
382 G A -0.8951
383 F A -1.5910
384 T A -1.2183
385 G A -1.3244
386 G A -0.8167
387 A A -1.1987
388 C A 0.0000
389 D A -2.9824
390 Q A -2.6756
391 D A -2.2480
392 V A -1.1390
393 D A -1.0885
394 E A -0.4786
395 C A 0.0000
396 S A -0.0335
397 I A 0.8268
398 G A -0.0996
399 A A -0.5255
400 N A -0.6709
401 P A 0.0000
402 C A 0.0000
403 E A -2.7071
404 H A -1.6201
405 L A -0.6177
406 G A 0.0000
407 R A -1.4053
408 C A 0.0000
409 V A 0.2547
410 N A -0.4820
411 T A -0.5831
412 Q A -1.8446
413 G A -1.6136
414 S A -0.4825
415 F A -0.0083
416 L A 0.5696
417 C A -0.8674
418 Q A -1.3675
419 C A -1.8316
420 G A -1.4716
421 R A -1.9969
422 G A 0.0000
423 Y A -1.5330
424 T A -1.7170
425 G A -1.5765
426 P A -1.2966
427 R A -2.5770
428 C A 0.0000
429 E A -2.7176
430 T A -2.0018
431 D A -2.1076
432 V A -0.9956
433 N A -0.7501
434 E A -0.6838
435 C A -0.0368
436 L A 1.0377
437 S A 0.1536
438 G A -0.5068
439 P A -0.3290
440 C A -0.5074
441 R A -2.2819
442 N A -1.8543
443 Q A -1.7494
444 A A -0.3060
445 T A 0.4018
446 C A 0.4888
447 L A 0.3221
448 D A -1.0122
449 R A -1.6280
450 I A -0.2303
451 G A -1.2773
452 Q A -1.5674
453 F A -0.4641
454 T A 0.2941
455 C A 1.0745
456 I A 2.4176
457 C A 0.8278
458 M A 0.2544
459 A A 0.3198
460 G A 0.0000
461 F A -0.2083
462 T A 0.0519
463 G A 0.0950
464 T A 0.4076
465 Y A 0.4818
466 C A 0.0000
467 E A -1.0201
468 V A -0.2770
469 D A -1.8268
470 I A -1.4652
471 D A -3.0774
472 E A -2.9306
473 C A -2.1282
474 Q A -2.2228
475 S A -1.3341
476 S A -0.5232
477 P A -0.1790
478 C A 0.2930
479 V A 0.5137
480 N A -0.7471
481 G A -0.2504
482 G A 0.3864
483 V A 1.2756
484 C A -0.4575
485 K A -2.0760
486 D A -3.5078
487 R A -2.8399
488 V A -0.6162
489 N A -1.4845
490 G A -1.4641
491 F A -1.5729
492 S A -0.7487
493 C A 0.2356
494 T A 0.4030
495 C A 0.3503
496 P A -0.3415
497 S A -0.9688
498 G A -1.9631
499 F A -1.0837
500 S A -0.6478
501 G A -0.5489
502 S A -0.2524
503 T A 0.0251
504 C A 0.0000
505 Q A -1.0231
506 L A -0.4279
507 D A -2.5958
508 V A -1.9771
509 D A -2.9195
510 E A -2.7335
511 C A -1.6624
512 A A -1.0080
513 S A -0.7124
514 T A -1.0179
515 P A -1.0293
516 C A 0.0000
517 R A -3.4920
518 N A -3.0400
519 G A -2.4206
520 A A -2.9381
521 K A -2.9627
522 C A -2.2350
523 V A -1.8484
524 D A -3.1490
525 Q A -2.8305
526 P A -2.5699
527 D A -2.9192
528 G A -2.1428
529 Y A -1.9717
530 E A -2.1881
531 C A -2.2862
532 R A -2.8728
533 C A -2.9507
534 A A -1.9800
535 E A -1.7298
536 G A -0.9505
537 F A -2.2698
538 E A -3.2053
539 G A -2.1562
540 T A -1.4968
541 L A -1.9043
542 C A 0.0000
543 D A -3.6384
544 R A -3.5762
545 N A -2.0207
546 V A -1.3298
547 D A -1.8937
548 D A -1.2903
549 C A -1.5915
550 S A -1.5639
551 P A -1.5594
552 D A -2.6850
553 P A -1.9325
554 C A 0.0000
555 H A -2.4321
556 H A -1.8777
557 G A -1.7770
558 R A -2.2001
559 C A -1.1947
560 V A 0.0217
561 D A -0.6533
562 G A 0.4706
563 I A 1.2809
564 A A 0.0753
565 S A 0.1608
566 F A 0.0635
567 S A -0.2289
568 C A -1.0354
569 A A -0.4568
570 C A -0.8534
571 A A -0.7771
572 P A -0.3968
573 G A -0.9085
574 Y A -0.9186
575 T A -0.8668
576 G A -1.0979
577 T A -0.9542
578 R A -2.2421
579 C A 0.0000
580 E A -2.1683
581 S A -1.6067
582 Q A -1.7062
583 V A -1.5901
584 D A -3.1393
585 E A -3.0567
586 C A 0.0000
587 R A -3.2831
588 S A -2.1883
589 Q A -2.8477
590 P A -1.4941
591 C A -1.6766
592 R A -2.4117
593 H A -1.5119
594 G A -1.8771
595 G A -2.1260
596 K A -2.7829
597 C A 0.0000
598 L A -1.0669
599 D A -2.2196
600 L A -0.5119
601 V A -0.1618
602 D A -2.2509
603 K A -2.0641
604 Y A -0.6489
605 L A 0.4663
606 C A -0.8229
607 R A -1.8417
608 C A -1.2507
609 P A -1.3186
610 S A -0.8137
611 G A -0.9586
612 T A 0.0000
613 T A 0.0257
614 G A 0.2829
615 V A 1.4456
616 N A -0.3747
617 C A 0.0000
618 E A -0.5229
619 V A 0.5459
620 N A -0.8294
621 I A -0.5926
622 D A -2.3485
623 D A -2.7558
624 C A -2.0428
625 A A -1.0696
626 S A -1.1698
627 N A -1.3424
628 P A -0.5869
629 C A -0.0665
630 T A 0.2263
631 F A 0.7960
632 G A 0.4411
633 V A 0.7196
634 C A 0.0000
635 R A -2.5865
636 D A -2.7345
637 G A -2.0676
638 I A -0.8506
639 N A -2.2157
640 R A -2.9947
641 Y A -2.4659
642 D A -1.8270
643 C A -0.3629
644 V A 1.1043
645 C A 0.4865
646 Q A -1.1599
647 P A -1.5076
648 G A -2.0583
649 F A -0.8547
650 T A 0.0678
651 G A 0.2943
652 P A 0.0749
653 L A 0.6339
654 C A 0.0000
655 N A -0.5111
656 V A 0.3366
657 E A -1.7443
658 I A -1.1907
659 N A -1.9153
660 E A -1.7347
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2244 Y A 1.5005
2245 L A 2.0227
2246 T A 0.8105
2247 P A -0.1151
2248 S A -0.7160
2249 P A -1.3995
2250 E A -2.3961
2251 S A -1.9776
2252 P A -1.7550
2253 E A -2.4529
2254 H A -1.4421
2255 W A 0.1662
2256 A A -0.0443
2257 S A -0.1497
2258 P A -0.3990
2259 S A -0.5890
2260 P A -0.4710
2261 P A -0.2218
2262 S A 0.0793
2263 L A 0.9609
2264 S A -0.0850
2265 D A -1.0126
2266 W A -0.1246
2267 S A -0.9932
2268 E A -1.7836
2269 S A -1.3448
2270 T A -0.8045
2271 P A -0.4948
2272 S A -0.4769
2273 P A -0.4141
2274 A A -0.1566
2275 T A -0.1343
2276 A A -0.1393
2277 T A -0.3217
2278 G A -0.2571
2279 A A 0.3419
2280 M A 1.0059
2281 A A 0.5735
2282 T A 0.1564
2283 T A -0.2348
2284 T A -0.3385
2285 G A -0.1542
2286 A A 0.4746
2287 L A 1.3498
2288 P A 0.2772
2289 A A -0.4577
2290 Q A -1.0139
2291 P A -0.1173
2292 L A 1.3664
2293 P A 1.1778
2294 L A 2.0268
2295 S A 1.4230
2296 V A 1.8335
2297 P A 0.4185
2298 S A 0.2550
2299 S A 0.5044
2300 L A 1.1543
2301 A A 0.1139
2302 Q A -1.0664
2303 A A -1.1879
2304 Q A -1.7012
2305 T A -0.8916
2306 Q A -0.7126
2307 L A 0.5888
2308 G A -0.3772
2309 P A -0.8323
2310 Q A -1.9818
2311 P A -1.5076
2312 E A -1.3923
2313 V A 0.7403
2314 T A -0.0156
2315 P A -1.3960
2316 K A -2.8742
2317 R A -2.8881
2318 Q A -1.3049
2319 V A 1.3142
2320 L A 2.1691
2321 A A 1.2206
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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 globular. Max score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 -0.0594 7.069 View CSV PDB
4.5 -0.1444 7.069 View CSV PDB
5.0 -0.2472 7.069 View CSV PDB
5.5 -0.354 7.069 View CSV PDB
6.0 -0.4521 7.069 View CSV PDB
6.5 -0.5337 7.069 View CSV PDB
7.0 -0.5981 7.069 View CSV PDB
7.5 -0.6506 7.069 View CSV PDB
8.0 -0.6945 7.069 View CSV PDB
8.5 -0.7283 7.069 View CSV PDB
9.0 -0.7484 7.069 View CSV PDB