Project name: P572L

Status: done

Started: 2026-05-15 06:35:35
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACALGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:39)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/89e0ab3dbd5f442/tmp/folded.pdb                (00:17:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:02)
Show buried residues

Minimal score value
-5.092
Maximal score value
5.8547
Average score
-0.748
Total score value
-1736.0583

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 0.7044
2 G A -0.2058
3 P A -0.7149
4 G A -1.0618
5 A A -1.5882
6 R A -2.9629
7 G A -3.0777
8 R A -4.2999
9 R A -4.8015
10 R A -5.0920
11 R A -4.9859
12 R A -4.3600
13 R A -3.3886
14 P A -1.4985
15 M A -0.1379
16 S A -0.2869
17 P A -0.3485
18 P A -0.4981
19 P A -0.7183
20 P A -0.7257
21 P A -0.3429
22 P A -0.3690
23 P A -0.1699
24 V A 0.8867
25 R A -0.5803
26 A A 0.7970
27 L A 1.8793
28 P A 1.9759
29 L A 3.4710
30 L A 4.1430
31 L A 4.1081
32 L A 3.8876
33 L A 2.9383
34 A A 1.4332
35 G A 0.3180
36 P A -0.3766
37 G A -0.4881
38 A A -0.3610
39 A A -0.8906
40 A A -1.0554
41 P A -0.7561
42 P A -0.6826
43 C A -0.4399
44 L A 0.4661
45 D A -1.2966
46 G A -0.9367
47 S A -1.1038
48 P A -1.1493
49 C A -1.6231
50 A A -1.6005
51 N A -1.7941
52 G A -1.3667
53 G A 0.0000
54 R A -1.7160
55 C A 0.0000
56 T A -0.5494
57 Q A -1.4447
58 L A -0.9429
59 P A -1.1384
60 S A -1.6745
61 R A -2.8672
62 E A -2.7806
63 A A -1.7530
64 A A -1.2319
65 C A -0.9941
66 L A 0.4792
67 C A -0.2953
68 P A -0.2010
69 P A -0.4486
70 G A -1.0251
71 W A -1.1946
72 V A -0.8137
73 G A -1.2850
74 E A -2.4245
75 R A -2.9000
76 C A 0.0000
77 Q A -2.0486
78 L A -1.6629
79 E A -2.3424
80 D A -1.6642
81 P A -1.4198
82 C A -1.0304
83 H A -1.6168
84 S A -1.1503
85 G A -0.8566
86 P A -0.3778
87 C A -0.7659
88 A A -0.5357
89 G A -1.0084
90 R A -1.6501
91 G A -1.0916
92 V A 0.4379
93 C A -0.3300
94 Q A -0.9625
95 S A -0.6268
96 S A -0.1360
97 V A 0.6454
98 V A 1.4233
99 A A 0.5504
100 G A -0.2473
101 T A -0.1653
102 A A 0.0000
103 R A -1.4749
104 F A -0.5671
105 S A -0.8647
106 C A -0.9546
107 R A -1.7758
108 C A -1.1070
109 P A -1.2649
110 R A -1.7636
111 G A 0.0000
112 F A -0.3731
113 R A -0.7717
114 G A -0.5969
115 P A -0.7807
116 D A -0.8002
117 C A 0.0000
118 S A -0.2987
119 L A 0.3788
120 P A -0.1344
121 D A -0.0709
122 P A 0.1929
123 C A 0.3935
124 L A 0.8206
125 S A 0.3037
126 S A -0.0865
127 P A -0.3667
128 C A -1.1501
129 A A -1.4905
130 H A -1.6737
131 G A -1.2567
132 A A -1.5934
133 R A -1.8652
134 C A -0.3386
135 S A 0.0661
136 V A 0.6368
137 G A -0.3327
138 P A -0.9569
139 D A -1.8411
140 G A -1.2540
141 R A -1.7425
142 F A -0.3413
143 L A -0.0214
144 C A -0.7719
145 S A -1.0135
146 C A -1.4027
147 P A -0.8710
148 P A -0.5546
149 G A -0.9495
150 Y A 0.0000
151 Q A -2.4643
152 G A -2.4799
153 R A -2.3943
154 S A -1.9224
155 C A 0.0000
156 R A -2.9708
157 S A -2.3445
158 D A -2.0371
159 V A -1.1687
160 D A -0.9921
161 E A -1.4046
162 C A -1.4329
163 R A -1.7663
164 V A 0.1170
165 G A -1.0864
166 E A -2.2615
167 P A -1.5871
168 C A 0.0000
169 R A -2.7505
170 H A -2.0995
171 G A -1.6929
172 G A -1.6932
173 T A -1.2360
174 C A -1.3826
175 L A -0.5843
176 N A -1.2074
177 T A 0.0000
178 P A -1.2068
179 G A -1.1612
180 S A -0.8391
181 F A -0.9431
182 R A -1.9064
183 C A -1.6782
184 Q A -1.5162
185 C A -1.3174
186 P A -0.6445
187 A A 0.1277
188 G A 0.0446
189 Y A -0.5988
190 T A -0.7463
191 G A -1.1751
192 P A -1.1294
193 L A -1.3813
194 C A 0.0000
195 E A -1.8563
196 N A -1.6478
197 P A -0.5890
198 A A 0.2973
199 V A 0.9922
200 P A -0.0516
201 C A -0.2301
202 A A 0.0890
203 P A -0.0091
204 S A -0.6850
205 P A -1.0143
206 C A -2.0761
207 R A -2.8789
208 N A -1.9992
209 G A -1.3429
210 G A -1.5208
211 T A -1.1716
212 C A -1.7971
213 R A -2.8985
214 Q A -2.3516
215 S A -1.7315
216 G A -1.2349
217 D A -1.1259
218 L A 0.7096
219 T A -0.4746
220 Y A -1.4842
221 D A -2.7316
222 C A -2.0714
223 A A -0.8769
224 C A -0.8142
225 L A 0.1020
226 P A -0.0084
227 G A -0.4361
228 F A -1.0353
229 E A -1.9892
230 G A -1.7712
231 Q A -2.2738
232 N A -2.2265
233 C A 0.0000
234 E A -2.1701
235 V A -0.8812
236 N A -0.7509
237 V A -0.7512
238 D A -1.7526
239 D A -1.9453
240 C A -1.7132
241 P A -1.4138
242 G A -1.3834
243 H A -1.6879
244 R A -2.1123
245 C A 0.0000
246 L A 0.0428
247 N A -0.8682
248 G A -0.6394
249 G A -0.8253
250 T A -0.6564
251 C A -0.7150
252 V A -0.4557
253 D A -1.0972
254 G A -0.3525
255 V A 0.6191
256 N A -0.8393
257 T A -0.8056
258 Y A -1.4145
259 N A -1.8495
260 C A -1.3583
261 Q A -1.4073
262 C A -1.0987
263 P A -0.6340
264 P A -0.7220
265 E A -1.1389
266 W A -1.1438
267 T A -1.4966
268 G A -1.5248
269 Q A -1.9175
270 F A -1.3069
271 C A 0.0000
272 T A -1.0645
273 E A -2.0175
274 D A -1.4141
275 V A -0.8912
276 D A -0.8460
277 E A -0.9665
278 C A -0.7427
279 Q A -1.0472
280 L A 0.0251
281 Q A -1.4401
282 P A -1.4685
283 N A -2.1074
284 A A -1.4555
285 C A 0.0000
286 H A -1.8901
287 N A -1.5117
288 G A -0.8906
289 G A -0.1028
290 T A 0.7294
291 C A 0.4338
292 F A 1.5040
293 N A 0.0299
294 T A 0.3767
295 L A 0.6908
296 G A -0.4500
297 G A -0.2481
298 H A -0.3994
299 S A 0.1112
300 C A 0.6570
301 V A 1.9383
302 C A 0.4260
303 V A 0.6837
304 N A -0.2951
305 G A 0.0000
306 W A -0.4548
307 T A -0.8957
308 G A -1.3192
309 E A -2.0256
310 S A -1.4782
311 C A 0.0000
312 S A -1.5806
313 Q A -1.9769
314 N A -1.1975
315 I A -0.7374
316 D A -1.8432
317 D A -0.7846
318 C A -0.3697
319 A A -0.2859
320 T A 0.0858
321 A A 0.7025
322 V A 1.9035
323 C A 1.3388
324 F A 0.6077
325 H A -0.9719
326 G A -0.5831
327 A A 0.1192
328 T A 0.1505
329 C A 0.2685
330 H A -0.6713
331 D A -0.9386
332 R A -0.1822
333 V A 0.8140
334 A A 0.0962
335 S A 0.1293
336 F A 0.5571
337 Y A 1.1421
338 C A 1.1680
339 A A 0.5664
340 C A 0.4637
341 P A 0.1354
342 M A 0.7973
343 G A -0.0707
344 K A -1.0327
345 T A -0.6621
346 G A 0.1063
347 L A 1.5739
348 L A 1.5074
349 C A 0.0000
350 H A -0.1351
351 L A -1.2728
352 D A -2.3390
353 D A -1.3258
354 A A -1.0784
355 C A -0.3796
356 V A 0.7224
357 S A -0.1473
358 N A -1.1658
359 P A -1.0012
360 C A -1.4205
361 H A -2.3809
362 E A -3.0814
363 D A -2.5240
364 A A -1.4006
365 I A -0.1583
366 C A -0.3911
367 D A -0.7347
368 T A 0.0000
369 N A -1.0720
370 P A -0.5213
371 V A -0.4449
372 N A -1.7351
373 G A -1.7981
374 R A -2.2008
375 A A -0.8057
376 I A 0.4160
377 C A -0.2375
378 T A 0.1041
379 C A -0.6430
380 P A 0.0000
381 P A -0.5598
382 G A -0.7593
383 F A -1.4938
384 T A -1.2107
385 G A -1.4183
386 G A -0.9027
387 A A -1.2388
388 C A 0.0000
389 D A -2.9479
390 Q A -2.6024
391 D A -1.9964
392 V A -0.9064
393 D A -0.8283
394 E A -0.1687
395 C A -0.1198
396 S A 0.1648
397 I A 1.2668
398 G A 0.1785
399 A A -0.5158
400 N A -1.6070
401 P A -1.2872
402 C A 0.0000
403 E A -2.7613
404 H A -1.6451
405 L A -0.1106
406 G A 0.0000
407 R A -2.1682
408 C A 0.0000
409 V A 0.0489
410 N A -0.4752
411 T A -0.4760
412 Q A -1.7148
413 G A -1.4869
414 S A -0.3081
415 F A 0.0870
416 L A 0.5188
417 C A -1.1566
418 Q A -1.5974
419 C A -1.7478
420 G A -1.3319
421 R A -1.9418
422 G A -1.2166
423 Y A -1.3622
424 T A -1.6132
425 G A -1.4049
426 P A -1.3049
427 R A -2.7778
428 C A 0.0000
429 E A -2.7311
430 T A -1.7918
431 D A -1.6786
432 V A -0.9047
433 N A -0.8732
434 E A -0.9461
435 C A -0.2323
436 L A 0.8988
437 S A 0.0745
438 G A -0.5789
439 P A -0.4012
440 C A -0.6017
441 R A -2.3495
442 N A -1.8951
443 Q A -1.7361
444 A A -0.3419
445 T A 0.3202
446 C A 0.3268
447 L A 0.2137
448 D A -1.1804
449 R A -1.5117
450 I A -0.0165
451 G A 0.0000
452 Q A -1.5355
453 F A -0.4891
454 T A 0.2259
455 C A 0.9785
456 I A 2.3827
457 C A 1.0187
458 M A 0.3445
459 A A 0.3458
460 G A -0.6595
461 F A -0.2211
462 T A 0.0111
463 G A 0.0160
464 T A 0.3012
465 Y A 0.2818
466 C A 0.0000
467 E A -1.1472
468 V A -0.3386
469 D A -1.8469
470 I A -1.4804
471 D A -3.0805
472 E A -2.9282
473 C A -2.1542
474 Q A -2.2091
475 S A -1.3191
476 S A -0.5125
477 P A -0.1681
478 C A 0.2689
479 V A 0.5159
480 N A -0.7432
481 G A -0.2532
482 G A 0.3612
483 V A 1.2180
484 C A -0.5614
485 K A -2.3002
486 D A -3.5989
487 R A -2.8860
488 V A -0.6284
489 N A -1.5059
490 G A -1.4911
491 F A -1.6083
492 S A -0.8070
493 C A 0.1805
494 T A 0.3644
495 C A 0.3583
496 P A -0.3336
497 S A -0.9563
498 G A -2.0049
499 F A -1.0237
500 S A -0.6037
501 G A -0.5183
502 S A -0.2361
503 T A 0.0444
504 C A 0.0000
505 Q A -0.9896
506 L A -0.3575
507 D A -2.5589
508 V A -1.9550
509 D A -2.9827
510 E A -2.8960
511 C A -1.8249
512 A A -1.0389
513 S A -0.7240
514 T A -0.9415
515 P A -0.8272
516 C A 0.0000
517 R A -2.9863
518 N A -2.5061
519 G A -2.1457
520 A A -2.7382
521 K A -2.9983
522 C A -2.4185
523 V A -2.1856
524 D A -3.5151
525 Q A -3.1069
526 P A -2.6563
527 D A -2.9774
528 G A -2.2990
529 Y A -2.2236
530 E A -2.5290
531 C A 0.0000
532 R A -2.8972
533 C A -2.7639
534 A A -1.9179
535 E A -1.8399
536 G A -1.2439
537 F A -2.5302
538 E A -3.0056
539 G A -2.0666
540 T A -1.3329
541 L A -1.5097
542 C A 0.0000
543 D A -3.6563
544 R A -3.9546
545 N A -3.0598
546 V A -2.0819
547 D A -2.5792
548 D A -1.7080
549 C A -1.7924
550 S A -1.7224
551 P A -1.5997
552 D A -2.7207
553 P A 0.0000
554 C A 0.0000
555 H A -2.5324
556 H A -1.7282
557 G A -1.5651
558 R A -2.1859
559 C A -1.1795
560 V A -0.0052
561 D A -1.1368
562 G A 0.1171
563 I A 0.9079
564 A A -0.2271
565 S A 0.0224
566 F A -0.0622
567 S A -0.2392
568 C A -0.9043
569 A A -0.2902
570 C A -0.4633
571 A A 0.2871
572 L A 1.4211
573 G A 0.1228
574 Y A -0.4160
575 T A -0.6467
576 G A -1.2036
577 T A -1.0208
578 R A -2.3477
579 C A 0.0000
580 E A -2.5413
581 S A -1.7405
582 Q A -1.2567
583 V A -1.0943
584 D A -2.6613
585 E A -2.3720
586 C A 0.0000
587 R A -3.0332
588 S A -2.0012
589 Q A -2.7168
590 P A -1.4407
591 C A -1.7986
592 R A -2.7585
593 H A -1.9712
594 G A -2.1050
595 G A -2.2726
596 K A -2.8077
597 C A 0.0000
598 L A -0.8725
599 D A -1.8213
600 L A -0.2663
601 V A 0.1995
602 D A -1.7086
603 K A -1.8153
604 Y A -0.4957
605 L A 0.6536
606 C A -0.7813
607 R A -1.8102
608 C A -1.2294
609 P A -1.3560
610 S A -0.7389
611 G A -0.8440
612 T A 0.0000
613 T A 0.0087
614 G A 0.2223
615 V A 1.3692
616 N A -0.4898
617 C A 0.0000
618 E A -0.7677
619 V A 0.4473
620 N A -0.8200
621 I A -0.2522
622 D A -2.2075
623 D A -2.7301
624 C A -1.9441
625 A A -1.0272
626 S A -1.1636
627 N A -1.2224
628 P A -0.4955
629 C A 0.0075
630 T A 0.4589
631 F A 1.0653
632 G A 0.6040
633 V A 1.1313
634 C A -0.4925
635 R A -2.7405
636 D A -2.7251
637 G A -2.1369
638 I A -0.9078
639 N A -2.1910
640 R A -3.1036
641 Y A -2.7865
642 D A -2.3223
643 C A -0.3866
644 V A 0.3858
645 C A 0.2801
646 Q A -1.1224
647 P A -1.5060
648 G A -2.0267
649 F A -0.9151
650 T A -0.0385
651 G A 0.2104
652 P A -0.0910
653 L A 0.6371
654 C A 0.0000
655 N A -0.4353
656 V A 0.3781
657 E A -1.8219
658 I A -1.4273
659 N A -2.2167
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1997 N A -1.1774
1998 R A -1.5212
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2246 T A 0.8175
2247 P A -0.1140
2248 S A -0.8967
2249 P A -1.3940
2250 E A -2.3553
2251 S A -1.9262
2252 P A -1.7992
2253 E A -2.4537
2254 H A -1.4403
2255 W A 0.1991
2256 A A 0.0676
2257 S A -0.1358
2258 P A -0.3898
2259 S A -0.5837
2260 P A -0.4638
2261 P A -0.2343
2262 S A 0.2707
2263 L A 0.8545
2264 S A -0.0979
2265 D A -1.0114
2266 W A -0.2755
2267 S A -0.9395
2268 E A -1.7881
2269 S A -1.3426
2270 T A -0.7664
2271 P A -0.4990
2272 S A -0.4792
2273 P A -0.4057
2274 A A -0.1343
2275 T A -0.1302
2276 A A -0.1374
2277 T A -0.3210
2278 G A -0.2520
2279 A A 0.3431
2280 M A 1.0046
2281 A A 0.5829
2282 T A 0.1546
2283 T A -0.2365
2284 T A -0.3454
2285 G A -0.1669
2286 A A 0.4999
2287 L A 1.3514
2288 P A 0.2957
2289 A A -0.4522
2290 Q A -0.9990
2291 P A -0.1248
2292 L A 1.3445
2293 P A 1.2388
2294 L A 1.9788
2295 S A 1.3726
2296 V A 1.8037
2297 P A 0.4203
2298 S A 0.2548
2299 S A 0.5017
2300 L A 1.1512
2301 A A 0.1185
2302 Q A -1.0674
2303 A A -1.1905
2304 Q A -1.7086
2305 T A -0.9047
2306 Q A -0.7118
2307 L A 0.5797
2308 G A -0.3738
2309 P A -0.8347
2310 Q A -1.7976
2311 P A -1.3996
2312 E A -1.3380
2313 V A 0.5731
2314 T A -0.1199
2315 P A -1.3657
2316 K A -2.8721
2317 R A -2.8871
2318 Q A -1.2788
2319 V A 1.2900
2320 L A 2.1745
2321 A A 1.2095
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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 -0.0574 7.3638 View CSV PDB
4.5 -0.1407 7.2792 View CSV PDB
5.0 -0.2416 7.2013 View CSV PDB
5.5 -0.3463 7.2013 View CSV PDB
6.0 -0.4424 7.2013 View CSV PDB
6.5 -0.5222 7.2013 View CSV PDB
7.0 -0.585 7.2013 View CSV PDB
7.5 -0.6359 7.2013 View CSV PDB
8.0 -0.6785 7.2013 View CSV PDB
8.5 -0.7115 7.2013 View CSV PDB
9.0 -0.7312 7.2013 View CSV PDB