Project name: C511Y

Status: done

Started: 2026-05-07 02:39:46
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDEYASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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 globular. Max score is recommended for pH analysis.  (00:00:32)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:32)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:36)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/d1cc1d12473e3c1/tmp/folded.pdb                (00:29:36)
[INFO]       Main:     Simulation completed successfully.                                          (01:09:02)
Show buried residues

Minimal score value
-4.9355
Maximal score value
5.3925
Average score
-0.7475
Total score value
-1734.9627

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 0.7105
2 G A -0.2000
3 P A -0.6529
4 G A -1.1534
5 A A -1.5646
6 R A -2.9048
7 G A -2.9639
8 R A -4.1764
9 R A -4.6545
10 R A -4.9355
11 R A -4.8285
12 R A -4.2931
13 R A -3.3021
14 P A -1.4024
15 M A 0.0125
16 S A -0.2071
17 P A -0.3453
18 P A -0.5114
19 P A -0.6838
20 P A -0.6889
21 P A -0.4023
22 P A -0.3598
23 P A -0.0827
24 V A 0.8764
25 R A -0.6495
26 A A 0.5111
27 L A 1.7913
28 P A 1.6519
29 L A 3.1951
30 L A 3.8501
31 L A 3.7247
32 L A 3.7135
33 L A 2.6725
34 A A 1.0695
35 G A -0.0151
36 P A -0.4567
37 G A -0.6680
38 A A -0.3127
39 A A -0.1595
40 A A -0.0637
41 P A -0.5384
42 P A -0.8742
43 C A -0.5074
44 L A 0.5069
45 D A -1.3283
46 G A -1.0639
47 S A -1.3013
48 P A -1.4308
49 C A 0.0000
50 A A -1.7140
51 N A -1.8595
52 G A -1.4042
53 G A 0.0000
54 R A -1.7436
55 C A 0.0000
56 T A -0.5737
57 Q A -1.4922
58 L A -0.9229
59 P A -1.1052
60 S A -1.6362
61 R A -2.8590
62 E A -2.5180
63 A A -1.8536
64 A A -1.1803
65 C A -0.9241
66 L A 0.4241
67 C A -0.3025
68 P A -0.1827
69 P A -0.3267
70 G A -0.8150
71 W A -1.0451
72 V A -0.9593
73 G A -1.2642
74 E A -2.4333
75 R A -2.9474
76 C A 0.0000
77 Q A -2.1283
78 L A -1.6636
79 E A -2.2493
80 D A -1.3959
81 P A -1.1518
82 C A -0.6435
83 H A -1.5448
84 S A -1.4280
85 G A -1.3014
86 P A -0.4750
87 C A -0.7411
88 A A -0.5657
89 G A -1.0343
90 R A -1.8724
91 G A -1.0184
92 V A 0.4653
93 C A -0.0096
94 Q A -0.4305
95 S A -0.2454
96 S A 0.0675
97 V A 0.8046
98 V A 1.6248
99 A A 0.6415
100 G A -0.1791
101 T A -0.2060
102 A A 0.0000
103 R A -1.2403
104 F A -0.4208
105 S A -0.6159
106 C A -0.7968
107 R A -1.6385
108 C A -1.0756
109 P A -1.2637
110 R A -1.9897
111 G A -0.4270
112 F A -0.2708
113 R A -0.6081
114 G A -0.5817
115 P A -0.7625
116 D A -0.8110
117 C A 0.0000
118 S A -0.3081
119 L A 0.4707
120 P A 0.0789
121 D A -0.2358
122 P A -0.0039
123 C A 0.1840
124 L A 0.3905
125 S A 0.0897
126 S A -0.2361
127 P A -0.3894
128 C A -1.0850
129 A A -1.6260
130 H A -1.7536
131 G A -1.2787
132 A A -1.4907
133 R A -1.7621
134 C A -0.3893
135 S A -0.1086
136 V A -0.0306
137 G A -0.7208
138 P A -1.2690
139 D A -2.3157
140 G A -1.6247
141 R A -1.9688
142 F A -0.5480
143 L A 0.1921
144 C A -0.6086
145 S A -0.7899
146 C A -1.2214
147 P A -0.7994
148 P A -0.5802
149 G A -0.8573
150 Y A -1.8329
151 Q A -2.3778
152 G A -2.4531
153 R A -2.3220
154 S A 0.0000
155 C A 0.0000
156 R A -2.9409
157 S A -2.3172
158 D A -2.0198
159 V A -1.2303
160 D A -1.0586
161 E A -1.4726
162 C A -1.3827
163 R A -1.6932
164 V A 0.1072
165 G A -1.0252
166 E A -2.3814
167 P A -1.7004
168 C A 0.0000
169 R A -3.0094
170 H A -2.2715
171 G A -1.7671
172 G A -1.7883
173 T A -1.2438
174 C A -1.3562
175 L A -0.5072
176 N A -1.1305
177 T A 0.0000
178 P A -1.0157
179 G A -1.1202
180 S A -0.7930
181 F A -0.8222
182 R A -1.7631
183 C A -1.5545
184 Q A -1.3091
185 C A -1.3642
186 P A -0.6797
187 A A 0.1343
188 G A 0.1384
189 Y A -0.5111
190 T A -0.8088
191 G A -1.0149
192 P A -1.1150
193 L A -1.4245
194 C A 0.0000
195 E A -2.0750
196 N A -1.7955
197 P A -0.6110
198 A A 0.3702
199 V A 1.2274
200 P A 0.1097
201 C A -0.1452
202 A A 0.3347
203 P A 0.0526
204 S A -0.6540
205 P A -1.0852
206 C A -2.2186
207 R A -3.0659
208 N A -2.1987
209 G A -1.2112
210 G A -1.6378
211 T A -1.1998
212 C A -1.7879
213 R A -2.8771
214 Q A -2.3291
215 S A -1.7415
216 G A -1.4078
217 D A -1.1474
218 L A 0.6910
219 T A -0.4962
220 Y A -1.4678
221 D A -2.6722
222 C A 0.0000
223 A A -0.9086
224 C A -0.9101
225 L A 0.0042
226 P A -0.1265
227 G A -0.6211
228 F A -1.4551
229 E A -2.5479
230 G A -2.1005
231 Q A -2.4301
232 N A -2.4369
233 C A 0.0000
234 E A -2.8905
235 V A -1.4022
236 N A -1.5833
237 V A -1.2283
238 D A -2.0573
239 D A -1.9532
240 C A -1.5107
241 P A -1.3793
242 G A -1.3716
243 H A -1.6548
244 R A -2.1079
245 C A 0.0000
246 L A 0.0547
247 N A -0.8489
248 G A -0.6004
249 G A -0.8221
250 T A -0.6417
251 C A -0.8576
252 V A -0.4049
253 D A -1.0311
254 G A -0.4063
255 V A 0.4877
256 N A -0.9349
257 T A -0.7541
258 Y A -1.3471
259 N A -1.8042
260 C A -1.3381
261 Q A -1.4133
262 C A -1.0986
263 P A -0.6308
264 P A -0.6975
265 E A -1.1387
266 W A -1.1038
267 T A -1.3663
268 G A -1.5558
269 Q A -1.9366
270 F A -1.4039
271 C A 0.0000
272 T A -1.2399
273 E A -2.0447
274 D A -1.2842
275 V A 0.0000
276 D A -0.8753
277 E A -1.0285
278 C A -0.7780
279 Q A -1.0831
280 L A -0.0133
281 Q A -1.4355
282 P A -1.4625
283 N A -2.0997
284 A A -1.3812
285 C A 0.0000
286 H A -1.8033
287 N A -1.5074
288 G A -0.8905
289 G A -0.1015
290 T A 0.7086
291 C A 0.4439
292 F A 1.4901
293 N A -0.1048
294 T A 0.3856
295 L A 0.7541
296 G A -0.3929
297 G A -0.1949
298 H A -0.3701
299 S A 0.0981
300 C A 0.6671
301 V A 1.9354
302 C A 0.4989
303 V A 0.6202
304 N A -0.4089
305 G A 0.0000
306 W A -0.3651
307 T A -0.6758
308 G A -1.1839
309 E A -1.9499
310 S A -1.3729
311 C A 0.0000
312 S A -1.3121
313 Q A -1.1047
314 N A -1.1618
315 I A -0.6284
316 D A -1.7270
317 D A -0.9588
318 C A -0.4826
319 A A -0.2091
320 T A 0.0975
321 A A 0.7434
322 V A 1.8333
323 C A 1.1416
324 F A 0.3696
325 H A -1.0993
326 G A -0.6717
327 A A -0.0387
328 T A -0.0058
329 C A -0.1158
330 H A -1.3805
331 D A -1.5048
332 R A -1.5390
333 V A -0.2277
334 A A -0.3525
335 S A -0.3975
336 F A -0.1876
337 Y A 0.2487
338 C A 0.7566
339 A A 0.3442
340 C A 0.3532
341 P A 0.1549
342 M A 0.8546
343 G A -0.0727
344 K A -0.9969
345 T A -0.6033
346 G A 0.2442
347 L A 1.6566
348 L A 1.2130
349 C A 0.0000
350 H A -0.6967
351 L A -1.2585
352 D A -2.3806
353 D A -1.4990
354 A A -1.3000
355 C A -0.5852
356 V A 0.4040
357 S A -0.2310
358 N A -1.0806
359 P A -1.1396
360 C A -1.4374
361 H A -2.2865
362 E A -2.9119
363 D A -2.2572
364 A A -1.0150
365 I A 0.8127
366 C A -0.4086
367 D A -1.3503
368 T A 0.0000
369 N A -0.9646
370 P A -0.3209
371 V A 0.8450
372 N A -1.1896
373 G A -1.8977
374 R A -2.2945
375 A A -1.3119
376 I A -0.5943
377 C A -0.5482
378 T A 0.0440
379 C A 0.0000
380 P A 0.0000
381 P A -0.5530
382 G A -0.8833
383 F A -1.5153
384 T A -1.2396
385 G A -1.3935
386 G A -1.1346
387 A A -1.3657
388 C A 0.0000
389 D A -2.7951
390 Q A -2.5447
391 D A -1.9928
392 V A -0.9359
393 D A -1.0259
394 E A -0.5531
395 C A -0.2907
396 S A 0.0858
397 I A 1.2189
398 G A 0.0112
399 A A -0.5433
400 N A -1.5369
401 P A -1.1137
402 C A 0.0000
403 E A -2.6445
404 H A -1.6768
405 L A -0.0911
406 G A 0.0000
407 R A -2.1178
408 C A 0.0000
409 V A 0.1378
410 N A -0.4445
411 T A -0.4712
412 Q A -1.6915
413 G A -1.5227
414 S A -0.3632
415 F A 0.3164
416 L A 0.9191
417 C A -0.8242
418 Q A -1.5189
419 C A -1.6891
420 G A -1.3229
421 R A -1.9222
422 G A 0.0000
423 Y A -1.2957
424 T A -1.6043
425 G A -1.5318
426 P A -1.2234
427 R A -2.6098
428 C A 0.0000
429 E A -2.7449
430 T A -1.8636
431 D A -1.9540
432 V A -0.7524
433 N A -0.7867
434 E A -0.7293
435 C A -0.2540
436 L A 0.9744
437 S A 0.1861
438 G A -0.4390
439 P A -0.3102
440 C A -0.7742
441 R A -2.1609
442 N A -1.9160
443 Q A -1.7657
444 A A -0.3813
445 T A 0.1554
446 C A 0.0805
447 L A -0.4209
448 D A -1.9731
449 R A -2.0383
450 I A -0.2170
451 G A 0.0000
452 Q A -1.6311
453 F A -0.7264
454 T A -0.0203
455 C A 0.7915
456 I A 2.0476
457 C A 0.9788
458 M A 0.4125
459 A A 0.4261
460 G A -0.6959
461 F A -0.2446
462 T A 0.1532
463 G A 0.0140
464 T A 0.3087
465 Y A 0.3120
466 C A 0.0000
467 E A -1.1171
468 V A -0.3601
469 D A -1.7433
470 I A -1.3961
471 D A -2.9655
472 E A -2.7232
473 C A -1.9006
474 Q A -2.0798
475 S A -1.3587
476 S A -0.6733
477 P A -0.1333
478 C A 0.2794
479 V A 0.6504
480 N A -0.7626
481 G A -0.2504
482 G A 0.3506
483 V A 1.2807
484 C A -0.3671
485 K A -1.9850
486 D A -2.4435
487 R A -2.3567
488 V A -0.3804
489 N A -1.3184
490 G A -1.2440
491 F A -1.2137
492 S A -0.6075
493 C A 0.2910
494 T A 0.2945
495 C A 0.3594
496 P A -0.0922
497 S A -0.3969
498 G A -0.9884
499 F A -0.5097
500 S A -0.3346
501 G A -0.4365
502 S A -0.2158
503 T A 0.0913
504 C A 0.0000
505 Q A -0.8983
506 L A -0.2373
507 D A -1.9417
508 V A -1.1599
509 D A -2.1855
510 E A -2.1677
511 Y A -0.1087
512 A A -0.4377
513 S A -0.7628
514 T A -0.4270
515 P A -0.9396
516 C A 0.0000
517 R A -2.9447
518 N A -2.8552
519 G A -2.2153
520 A A -2.7687
521 K A -2.9165
522 C A -1.9110
523 V A -1.7396
524 D A -2.6023
525 Q A -2.4767
526 P A -1.8863
527 D A -2.4175
528 G A -1.8537
529 Y A -1.4622
530 E A -2.3466
531 C A 0.0000
532 R A -2.9666
533 C A -2.8001
534 A A -1.8263
535 E A -1.7524
536 G A 0.0000
537 F A -2.0408
538 E A -2.7230
539 G A -1.8904
540 T A -1.3711
541 L A -1.8485
542 C A 0.0000
543 D A -3.4440
544 R A -3.4983
545 N A -2.0682
546 V A -1.2959
547 D A -2.1322
548 D A -1.4627
549 C A -1.7207
550 S A -1.6880
551 P A -1.6536
552 D A -2.7293
553 P A -1.9813
554 C A 0.0000
555 H A -2.7947
556 H A -2.3515
557 G A -2.0099
558 R A -2.1905
559 C A 0.0000
560 V A 0.3023
561 D A -0.4359
562 G A 0.6527
563 I A 1.3294
564 A A 0.1956
565 S A 0.4855
566 F A 0.2680
567 S A -0.0350
568 C A -0.9843
569 A A -0.3870
570 C A -1.1920
571 A A -0.8861
572 P A -0.9046
573 G A -1.2944
574 Y A -1.1550
575 T A -0.9940
576 G A -1.2961
577 T A -1.1342
578 R A -2.4699
579 C A 0.0000
580 E A -2.7313
581 S A -1.6721
582 Q A -1.3142
583 V A -1.4580
584 D A -2.2967
585 E A -2.4411
586 C A 0.0000
587 R A -2.9044
588 S A -1.9875
589 Q A -2.7201
590 P A -1.5234
591 C A -1.9468
592 R A -2.7565
593 H A -1.8545
594 G A -2.2254
595 G A -2.3679
596 K A -2.7744
597 C A 0.0000
598 L A -0.7402
599 D A -1.2983
600 L A -0.3508
601 V A -0.4611
602 D A -2.3374
603 K A -2.0837
604 Y A -0.8531
605 L A 0.2922
606 C A -0.9847
607 R A -1.8953
608 C A -1.3855
609 P A -1.2843
610 S A -0.6869
611 G A -0.6775
612 T A 0.0000
613 T A 0.0997
614 G A 0.4058
615 V A 1.1496
616 N A -0.6267
617 C A 0.0000
618 E A -0.7283
619 V A 0.6414
620 N A -0.3082
621 I A -0.1799
622 D A -2.1382
623 D A -2.4321
624 C A -1.9427
625 A A -1.0484
626 S A -1.1466
627 N A -1.3432
628 P A -0.6461
629 C A 0.0000
630 T A 0.1738
631 F A 0.6699
632 G A 0.6366
633 V A 1.3058
634 C A -0.5936
635 R A -2.7110
636 D A -2.7239
637 G A -1.8508
638 I A -0.2356
639 N A -1.8760
640 R A -2.9560
641 Y A -2.4460
642 D A -2.2376
643 C A -0.5571
644 V A 0.9842
645 C A 0.5325
646 Q A -0.8496
647 P A -1.1971
648 G A -1.7356
649 F A -0.7873
650 T A 0.0196
651 G A 0.0751
652 P A -0.1820
653 L A 0.3360
654 C A 0.0000
655 N A -0.5484
656 V A 0.4676
657 E A -1.9598
658 I A -1.2748
659 N A -2.0814
660 E A -2.3109
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1971 K A -1.9013
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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
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1981 R A -1.2113
1982 E A -0.7182
1983 G A -0.8107
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1986 E A -1.1814
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1989 K A -1.2855
1990 L A -0.8534
1991 L A 0.0000
1992 L A -0.8092
1993 D A -1.5410
1994 H A -0.5950
1995 F A 0.2624
1996 A A 0.0000
1997 N A -0.9560
1998 R A -1.4480
1999 E A -2.0481
2000 I A -1.4984
2001 T A -1.6790
2002 D A 0.0000
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2007 L A -1.3609
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2010 D A -2.6243
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.0503
2015 R A -2.2922
2016 L A -0.8295
2017 H A -1.9550
2018 Q A -2.6937
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2246 T A 0.8256
2247 P A -0.0789
2248 S A -0.7529
2249 P A -1.3922
2250 E A -2.1856
2251 S A -1.8555
2252 P A -1.9603
2253 E A -2.2780
2254 H A -1.4705
2255 W A 0.2970
2256 A A 0.1072
2257 S A -0.1220
2258 P A -0.5144
2259 S A -0.5760
2260 P A -0.6184
2261 P A -0.1180
2262 S A 0.2053
2263 L A 0.6705
2264 S A -0.3894
2265 D A -1.6296
2266 W A -0.9388
2267 S A -1.4273
2268 E A -2.1235
2269 S A -1.2445
2270 T A -1.1379
2271 P A -1.1948
2272 S A -0.8864
2273 P A -0.6714
2274 A A -0.4302
2275 T A -0.1788
2276 A A -0.1465
2277 T A -0.1422
2278 G A -0.1831
2279 A A 0.3336
2280 M A 0.9531
2281 A A 0.4746
2282 T A 0.1434
2283 T A -0.1213
2284 T A -0.1693
2285 G A -0.1757
2286 A A 0.5141
2287 L A 1.2232
2288 P A 0.1888
2289 A A -0.3381
2290 Q A -0.8705
2291 P A -0.1887
2292 L A 1.3706
2293 P A 1.1795
2294 L A 2.0284
2295 S A 1.4087
2296 V A 1.7967
2297 P A 0.6057
2298 S A 0.3579
2299 S A 0.5488
2300 L A 1.1137
2301 A A 0.0616
2302 Q A -1.1190
2303 A A -1.2682
2304 Q A -1.6258
2305 T A -1.0583
2306 Q A -0.9045
2307 L A 0.5134
2308 G A -0.4223
2309 P A -0.9927
2310 Q A -1.7642
2311 P A -1.2695
2312 E A -1.3964
2313 V A 0.3618
2314 T A -0.4884
2315 P A -1.3913
2316 K A -2.6823
2317 R A -2.7223
2318 Q A -1.3327
2319 V A 1.3233
2320 L A 1.9378
2321 A A 1.1050
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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 -0.0691 7.7609 View CSV PDB
4.5 -0.1519 7.6924 View CSV PDB
5.0 -0.2526 7.588 View CSV PDB
5.5 -0.3567 7.4647 View CSV PDB
6.0 -0.4515 7.3419 View CSV PDB
6.5 -0.5291 7.2393 View CSV PDB
7.0 -0.5892 7.1732 View CSV PDB
7.5 -0.6377 7.1417 View CSV PDB
8.0 -0.6782 7.1298 View CSV PDB
8.5 -0.7096 7.1258 View CSV PDB
9.0 -0.7284 7.1245 View CSV PDB