Project name: P572L_5

Status: done

Started: 2026-05-21 00:18:50
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACALGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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.  (00:00:27)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:29)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9975345fbf49d0a/tmp/folded.pdb                (00:29:29)
[INFO]       Main:     Simulation completed successfully.                                          (01:24:54)
Show buried residues

Minimal score value
-2.5294
Maximal score value
2.6248
Average score
-0.2763
Total score value
-641.2213

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 0.9671
2 G A -0.3178
3 P A -0.4259
4 G A -0.5025
5 A A -0.3670
6 R A -1.9188
7 G A -1.1429
8 R A -2.2667
9 R A -2.5205
10 R A -2.5258
11 R A -2.5294
12 R A -2.5276
13 R A -2.2318
14 P A -0.4004
15 M A 0.9662
16 S A -0.0632
17 P A -0.3408
18 P A -0.3484
19 P A -0.3486
20 P A -0.3488
21 P A -0.3485
22 P A -0.3485
23 P A 0.0305
24 V A 1.3769
25 R A -1.4980
26 A A 0.0000
27 L A 1.5107
28 P A 0.3417
29 L A 1.8032
30 L A 2.3261
31 L A 2.3498
32 L A 2.3284
33 L A 2.0273
34 A A 0.2640
35 G A -0.5015
36 P A -0.4265
37 G A -0.5029
38 A A -0.0189
39 A A 0.0711
40 A A -0.0098
41 P A -0.2623
42 P A -0.0742
43 C A 0.4872
44 L A 1.2638
45 D A -1.5941
46 G A -0.8171
47 S A -0.2349
48 P A -0.0504
49 C A -0.1613
50 A A -0.1248
51 N A -0.9646
52 G A -0.6268
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1406
57 Q A -0.5219
58 L A 0.5785
59 P A -0.1587
60 S A -0.5858
61 R A -2.2165
62 E A -2.1571
63 A A -0.4080
64 A A 0.0291
65 C A 0.3770
66 L A 1.6097
67 C A 0.5216
68 P A -0.0669
69 P A -0.2773
70 G A -0.0829
71 W A 0.0444
72 V A 0.2725
73 G A -0.3672
74 E A -2.1662
75 R A -2.1629
76 C A 0.0000
77 Q A -0.5629
78 L A -0.1939
79 E A -1.7871
80 D A -0.5885
81 P A -0.0695
82 C A -0.0789
83 H A -1.0093
84 S A -0.4772
85 G A -0.5158
86 P A -0.1327
87 C A -0.0078
88 A A -0.0033
89 G A -0.5652
90 R A -1.8983
91 G A -0.0440
92 V A 1.7889
93 C A 0.3101
94 Q A -0.9424
95 S A -0.1465
96 S A -0.0274
97 V A 0.9624
98 V A 1.7442
99 A A 0.2679
100 G A -0.4651
101 T A -0.1357
102 A A 0.0000
103 R A -1.7147
104 F A 0.2968
105 S A -0.0679
106 C A -0.2767
107 R A -1.7830
108 C A -0.1232
109 P A -0.3349
110 R A -1.8514
111 G A 0.0000
112 F A 0.6933
113 R A -0.3693
114 G A -0.2899
115 P A -0.4084
116 D A -0.7375
117 C A 0.0000
118 S A -0.0093
119 L A 0.7118
120 P A -0.0513
121 D A -0.3202
122 P A -0.0786
123 C A 0.3080
124 L A 1.1783
125 S A -0.0318
126 S A -0.2597
127 P A -0.0724
128 C A 0.0651
129 A A -0.1098
130 H A -0.8106
131 G A -0.5965
132 A A -0.3994
133 R A -1.8043
134 C A -0.1683
135 S A 0.0585
136 V A 1.2525
137 G A 0.1382
138 P A -0.5179
139 D A -1.4714
140 G A -0.7195
141 R A -1.7987
142 F A 0.3164
143 L A 0.8146
144 C A 0.2173
145 S A -0.1619
146 C A 0.1251
147 P A -0.0825
148 P A -0.2765
149 G A -0.1072
150 Y A 0.0000
151 Q A -1.2845
152 G A -1.0127
153 R A -1.8542
154 S A -0.3572
155 C A 0.0000
156 R A -1.8837
157 S A -0.6968
158 D A -0.7228
159 V A 0.1867
160 D A -0.3918
161 E A -0.7884
162 C A -0.3444
163 R A -1.4990
164 V A 1.3837
165 G A -0.2943
166 E A -1.8802
167 P A -0.3733
168 C A 0.0000
169 R A -1.6272
170 H A -1.2747
171 G A -0.6435
172 G A -0.1336
173 T A -0.0593
174 C A 0.2630
175 L A 0.6744
176 N A -0.4712
177 T A 0.0000
178 P A -0.2667
179 G A -0.1458
180 S A -0.0804
181 F A -0.0615
182 R A -1.7516
183 C A -0.4636
184 Q A -1.1481
185 C A -0.0732
186 P A -0.0672
187 A A 0.0132
188 G A -0.0534
189 Y A 0.3244
190 T A 0.0217
191 G A -0.2237
192 P A -0.2240
193 L A 0.3072
194 C A 0.0000
195 E A -0.9225
196 N A -1.3596
197 P A -0.4114
198 A A 0.2593
199 V A 1.3850
200 P A 0.2504
201 C A 0.1309
202 A A -0.0096
203 P A -0.2674
204 S A -0.1750
205 P A -0.0595
206 C A -0.2941
207 R A -1.9965
208 N A -1.3245
209 G A -0.6379
210 G A -0.1131
211 T A -0.0610
212 C A -0.2424
213 R A -2.0493
214 Q A -1.4978
215 S A -0.4017
216 G A -0.5481
217 D A -1.5532
218 L A 1.1683
219 T A 0.2872
220 Y A -0.0165
221 D A -1.6798
222 C A -0.2350
223 A A 0.0797
224 C A 0.3936
225 L A 0.8608
226 P A -0.1081
227 G A -0.2748
228 F A -0.1672
229 E A -1.7598
230 G A -0.7499
231 Q A -1.2660
232 N A -0.3734
233 C A 0.0000
234 E A -0.9702
235 V A 0.7189
236 N A -0.0918
237 V A 0.5577
238 D A -1.7642
239 D A -1.1684
240 C A -0.1103
241 P A -0.3246
242 G A -0.6024
243 H A -0.9104
244 R A -1.9332
245 C A 0.0000
246 L A 1.1851
247 N A -0.6373
248 G A -0.6181
249 G A -0.1132
250 T A -0.0617
251 C A 0.2560
252 V A 0.7914
253 D A -0.5508
254 G A 0.1237
255 V A 1.5254
256 N A -0.9702
257 T A -0.2407
258 Y A -0.1268
259 N A -1.2175
260 C A -0.3655
261 Q A -1.1440
262 C A -0.0302
263 P A -0.0643
264 P A -0.3744
265 E A -0.6253
266 W A -0.0438
267 T A -0.2419
268 G A -0.5524
269 Q A -1.2033
270 F A 0.0899
271 C A 0.0000
272 T A -0.3774
273 E A -1.8082
274 D A -0.8010
275 V A 0.0132
276 D A -0.4842
277 E A -0.1033
278 C A -0.1428
279 Q A -0.8974
280 L A 1.0920
281 Q A -0.9623
282 P A -0.7017
283 N A -1.3178
284 A A -0.2221
285 C A 0.0000
286 H A -0.8197
287 N A -0.9919
288 G A -0.6193
289 G A -0.1301
290 T A -0.0449
291 C A 0.4526
292 F A 1.7079
293 N A -0.2725
294 T A 0.0769
295 L A 1.5029
296 G A 0.0837
297 G A -0.2031
298 H A -0.6018
299 S A -0.2534
300 C A 0.4032
301 V A 1.8230
302 C A 0.6714
303 V A 0.7371
304 N A -1.1003
305 G A 0.0000
306 W A 0.1259
307 T A -0.0415
308 G A -0.5880
309 E A -1.8733
310 S A -0.3718
311 C A 0.0000
312 S A -0.4150
313 Q A -1.3092
314 N A -0.4549
315 I A 0.4102
316 D A -1.7210
317 D A -0.7632
318 C A 0.0479
319 A A 0.0673
320 T A -0.0587
321 A A 0.3085
322 V A 1.6528
323 C A 0.5556
324 F A 0.5381
325 H A -0.9469
326 G A -0.6443
327 A A -0.0596
328 T A -0.0325
329 C A 0.0671
330 H A -0.5657
331 D A -0.8358
332 R A -0.3545
333 V A 1.5215
334 A A 0.3089
335 S A -0.0280
336 F A 0.4635
337 Y A 1.0909
338 C A 0.2830
339 A A 0.0909
340 C A 0.2640
341 P A 0.1482
342 M A 1.0177
343 G A -0.0405
344 K A -0.8371
345 T A -0.1281
346 G A 0.1185
347 L A 1.1864
348 L A 0.3734
349 C A 0.0000
350 H A -0.3161
351 L A -0.1943
352 D A -1.8834
353 D A -0.7408
354 A A -0.0380
355 C A 0.3586
356 V A 1.4477
357 S A -0.1732
358 N A -1.3319
359 P A -0.3305
360 C A 0.0134
361 H A -0.5489
362 E A -2.1875
363 D A -2.1190
364 A A -0.1761
365 I A 0.7149
366 C A 0.1048
367 D A -0.9908
368 T A 0.0000
369 N A -0.2122
370 P A -0.0164
371 V A 0.5484
372 N A -0.7667
373 G A -0.5624
374 R A -1.8507
375 A A -0.1190
376 I A 1.1832
377 C A 0.3198
378 T A 0.0264
379 C A 0.1437
380 P A 0.0000
381 P A -0.2636
382 G A -0.0362
383 F A 0.1440
384 T A -0.0754
385 G A -0.5143
386 G A -0.5395
387 A A -0.0504
388 C A 0.0000
389 D A -2.0078
390 Q A -1.5910
391 D A -0.5017
392 V A 0.0626
393 D A -0.8732
394 E A -0.4152
395 C A 0.0743
396 S A 0.1810
397 I A 1.8875
398 G A -0.0818
399 A A -0.2537
400 N A -1.2288
401 P A -0.2529
402 C A 0.0000
403 E A -1.7350
404 H A -0.4055
405 L A 1.4794
406 G A 0.0000
407 R A -1.9665
408 C A 0.0000
409 V A 0.4566
410 N A -0.2950
411 T A -0.2779
412 Q A -1.2141
413 G A -0.3151
414 S A -0.0631
415 F A 0.6584
416 L A 1.3732
417 C A 0.0854
418 Q A -1.3296
419 C A -0.0460
420 G A -0.5861
421 R A -1.9063
422 G A -0.1420
423 Y A -0.0120
424 T A -0.0392
425 G A -0.2019
426 P A -0.5709
427 R A -1.6644
428 C A 0.0000
429 E A -1.3115
430 T A -0.5061
431 D A -1.0988
432 V A 0.1638
433 N A -0.7086
434 E A -0.8249
435 C A 0.2492
436 L A 1.5274
437 S A -0.0157
438 G A -0.5108
439 P A -0.1004
440 C A -0.1708
441 R A -1.9397
442 N A -1.1600
443 Q A -1.3060
444 A A -0.1997
445 T A -0.0422
446 C A 0.2315
447 L A 0.3989
448 D A -0.9137
449 R A -1.3934
450 I A 1.7062
451 G A 0.0000
452 Q A -1.1257
453 F A 0.0698
454 T A 0.0591
455 C A 0.4573
456 I A 2.0660
457 C A 0.6783
458 M A 0.5253
459 A A 0.1379
460 G A -0.2355
461 F A -0.0292
462 T A -0.0449
463 G A -0.2549
464 T A 0.0100
465 Y A 0.6766
466 C A 0.0000
467 E A -0.5343
468 V A 0.6658
469 D A -1.4088
470 I A 0.1511
471 D A -1.5228
472 E A -1.1596
473 C A -0.2842
474 Q A -1.2200
475 S A -0.4692
476 S A -0.2587
477 P A -0.0666
478 C A 0.2437
479 V A 0.8458
480 N A -0.7767
481 G A -0.6349
482 G A 0.2034
483 V A 1.7877
484 C A 0.2234
485 K A -1.7037
486 D A -2.3015
487 R A -1.8404
488 V A 1.2010
489 N A -0.9780
490 G A -0.2222
491 F A 0.3889
492 S A 0.0997
493 C A 0.1025
494 T A 0.0036
495 C A 0.1511
496 P A -0.1112
497 S A -0.2442
498 G A -0.3520
499 F A 0.0307
500 S A -0.1011
501 G A -0.3996
502 S A -0.2778
503 T A -0.0419
504 C A 0.0000
505 Q A -0.9625
506 L A 0.6960
507 D A -1.4074
508 V A -0.0383
509 D A -1.8140
510 E A -1.3088
511 C A -0.0771
512 A A 0.0368
513 S A -0.2148
514 T A -0.1158
515 P A -0.0521
516 C A 0.0000
517 R A -1.9201
518 N A -0.8368
519 G A -0.5400
520 A A -0.3586
521 K A -1.6852
522 C A -0.1689
523 V A 0.0962
524 D A -1.7479
525 Q A -1.3326
526 P A -0.7574
527 D A -1.8669
528 G A -0.3371
529 Y A 0.0262
530 E A -1.4713
531 C A 0.0000
532 R A -1.7971
533 C A -0.0893
534 A A -0.2618
535 E A -1.8270
536 G A -0.3326
537 F A -0.1200
538 E A -1.2107
539 G A -0.5419
540 T A -0.0068
541 L A 0.6562
542 C A 0.0000
543 D A -2.1198
544 R A -2.4007
545 N A -1.4525
546 V A 0.1324
547 D A -1.8000
548 D A -1.0603
549 C A -0.2662
550 S A -0.2640
551 P A -0.6330
552 D A -1.8230
553 P A 0.0000
554 C A 0.0000
555 H A -1.0691
556 H A -0.6411
557 G A -0.5121
558 R A -1.8526
559 C A 0.0292
560 V A 1.2034
561 D A -0.9503
562 G A -0.0446
563 I A 1.9893
564 A A 0.3567
565 S A -0.0709
566 F A 0.4142
567 S A -0.0776
568 C A 0.0815
569 A A 0.1096
570 C A 0.2938
571 A A 0.3706
572 L A 1.5431
573 G A 0.0712
574 Y A 0.0616
575 T A -0.0529
576 G A -0.2702
577 T A -0.3108
578 R A -1.1022
579 C A 0.0000
580 E A -1.5332
581 S A -0.5840
582 Q A -1.0275
583 V A 0.3974
584 D A -1.3250
585 E A -0.6323
586 C A 0.0000
587 R A -1.8833
588 S A -0.7651
589 Q A -1.2428
590 P A -0.2404
591 C A -0.3023
592 R A -1.9478
593 H A -1.0615
594 G A -0.5906
595 G A -0.4206
596 K A -1.7109
597 C A 0.0000
598 L A 0.0262
599 D A -1.5388
600 L A 0.7032
601 V A 1.4901
602 D A -1.7956
603 K A -1.9332
604 Y A 0.2228
605 L A 1.4413
606 C A -0.0075
607 R A -1.7809
608 C A -0.0908
609 P A -0.0890
610 S A -0.2456
611 G A -0.3034
612 T A 0.0000
613 T A -0.0824
614 G A 0.0900
615 V A 1.6827
616 N A 0.0646
617 C A 0.0000
618 E A -0.4474
619 V A 0.8960
620 N A -0.4020
621 I A 1.0092
622 D A -1.6682
623 D A -1.1351
624 C A -0.0591
625 A A 0.0349
626 S A -0.4295
627 N A -1.3194
628 P A -0.2608
629 C A 0.1438
630 T A 0.1546
631 F A 1.1380
632 G A 0.3771
633 V A 1.7803
634 C A 0.1209
635 R A -1.9508
636 D A -1.0016
637 G A -0.3203
638 I A 0.6507
639 N A -1.4570
640 R A -2.0025
641 Y A -0.2569
642 D A -1.6828
643 C A -0.1389
644 V A 0.5633
645 C A 0.0352
646 Q A -1.1725
647 P A -0.6287
648 G A -0.3026
649 F A -0.0162
650 T A -0.0162
651 G A -0.2127
652 P A -0.1403
653 L A 0.7699
654 C A 0.0000
655 N A -0.9918
656 V A 0.9790
657 E A -1.3487
658 I A 0.2150
659 N A -1.2524
660 E A -0.9195
661 C A -0.0106
662 A A 0.0381
663 S A -0.2411
664 S A -0.2600
665 P A -0.0678
666 C A 0.1226
667 G A -0.3515
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1932 V A -0.1701
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1935 V A 0.4678
1936 D A 0.0000
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1938 L A 0.3165
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1940 K A 0.0000
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1944 H A 0.0000
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1949 V A 0.8623
1950 N A -0.2642
1951 N A 0.0000
1952 V A 0.0498
1953 E A -1.7497
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6428
1957 A A 0.1227
1958 L A 0.0000
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1960 K A -1.8913
1961 N A -1.5965
1962 G A -0.6868
1963 A A 0.0000
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1965 K A -0.7493
1966 D A -0.4382
1967 M A -0.1168
1968 Q A -1.1486
1969 D A 0.0000
1970 S A -0.3239
1971 K A -0.9304
1972 E A -1.7415
1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.5839
1982 E A -0.9804
1983 G A -0.3231
1984 S A 0.0000
1985 Y A 0.0683
1986 E A -1.7474
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0904
1990 L A 0.0216
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8312
1994 H A -0.4338
1995 F A 0.6324
1996 A A 0.0000
1997 N A -0.3460
1998 R A -0.7968
1999 E A -1.8394
2000 I A -0.0265
2001 T A -0.1422
2002 D A 0.0000
2003 H A -0.1061
2004 L A 0.2930
2005 D A -1.7478
2006 R A -0.6599
2007 L A 0.3389
2008 P A 0.0000
2009 R A -0.8551
2010 D A -1.1312
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3644
2014 E A -2.2125
2015 R A -1.0250
2016 L A 1.2113
2017 H A -0.1322
2018 Q A -1.3797
2019 D A -1.1232
2020 I A 0.0000
2021 V A -0.2882
2022 R A -1.9929
2023 L A 0.0000
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2100 S A 0.0294
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2110 P A -0.2418
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2267 S A -0.2816
2268 E A -1.9075
2269 S A -0.6450
2270 T A -0.1616
2271 P A -0.3091
2272 S A -0.3181
2273 P A -0.2914
2274 A A -0.0037
2275 T A -0.0449
2276 A A 0.0272
2277 T A -0.1868
2278 G A -0.4743
2279 A A 0.1672
2280 M A 1.0797
2281 A A 0.3191
2282 T A -0.0727
2283 T A -0.1020
2284 T A -0.1774
2285 G A -0.4660
2286 A A 0.2495
2287 L A 1.5045
2288 P A 0.0877
2289 A A -0.2710
2290 Q A -1.2336
2291 P A -0.1886
2292 L A 1.4513
2293 P A 0.3835
2294 L A 1.4483
2295 S A 0.4546
2296 V A 1.6806
2297 P A 0.0339
2298 S A -0.3106
2299 S A 0.1184
2300 L A 1.5077
2301 A A 0.0605
2302 Q A -1.1735
2303 A A -0.4450
2304 Q A -1.1982
2305 T A -0.5362
2306 Q A -0.8404
2307 L A 1.1729
2308 G A -0.2422
2309 P A -0.6035
2310 Q A -1.3018
2311 P A -0.8477
2312 E A -1.5144
2313 V A 1.3961
2314 T A 0.2477
2315 P A -0.6591
2316 K A -2.1024
2317 R A -2.3846
2318 Q A -1.1737
2319 V A 1.8118
2320 L A 1.8920
2321 A A 0.4333
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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 0.0005 5.0588 View CSV PDB
4.5 -0.0316 5.0588 View CSV PDB
5.0 -0.0707 5.0588 View CSV PDB
5.5 -0.1112 5.0588 View CSV PDB
6.0 -0.1479 5.0588 View CSV PDB
6.5 -0.1777 5.0588 View CSV PDB
7.0 -0.2004 5.0588 View CSV PDB
7.5 -0.2182 5.0588 View CSV PDB
8.0 -0.2327 5.0588 View CSV PDB
8.5 -0.2437 5.0588 View CSV PDB
9.0 -0.2498 5.0588 View CSV PDB