Project name: C212Y

Status: done

Started: 2026-05-06 05:36:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTYRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:20:11)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5d91934ac095efd/tmp/folded.pdb                (00:20:11)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:45)
Show buried residues

Minimal score value
-4.9346
Maximal score value
4.882
Average score
-0.746
Total score value
-1731.3998

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 0.7052
2 G A -0.1848
3 P A -0.6723
4 G A -1.0969
5 A A -1.5396
6 R A -2.9450
7 G A -3.0225
8 R A -4.2180
9 R A -4.7372
10 R A -4.9346
11 R A -4.9308
12 R A -4.2765
13 R A -3.3603
14 P A -1.4494
15 M A -0.0302
16 S A -0.2443
17 P A -0.3463
18 P A -0.5089
19 P A -0.7012
20 P A -0.7074
21 P A -0.3928
22 P A -0.3955
23 P A -0.1349
24 V A 0.8825
25 R A -0.6356
26 A A 0.5298
27 L A 1.7933
28 P A 1.7094
29 L A 3.2760
30 L A 3.9078
31 L A 3.9388
32 L A 3.7323
33 L A 2.8339
34 A A 1.1037
35 G A 0.0092
36 P A -0.4730
37 G A -0.6456
38 A A -0.2786
39 A A -0.2730
40 A A 0.0001
41 P A -0.6508
42 P A -0.8658
43 C A -0.6533
44 L A 0.5144
45 D A -1.3199
46 G A -0.9712
47 S A -1.1890
48 P A -1.4343
49 C A 0.0000
50 A A -1.6096
51 N A -1.7622
52 G A -1.3533
53 G A 0.0000
54 R A -1.7555
55 C A 0.0000
56 T A -0.7223
57 Q A -1.5336
58 L A -0.8557
59 P A -0.9964
60 S A -1.5824
61 R A -2.6889
62 E A -2.6906
63 A A -1.7258
64 A A -1.2438
65 C A -1.0206
66 L A 0.4818
67 C A -0.2784
68 P A -0.2436
69 P A -0.4634
70 G A -1.0364
71 W A -1.0014
72 V A -1.0898
73 G A -1.2821
74 E A -2.4335
75 R A -2.8749
76 C A 0.0000
77 Q A -2.0159
78 L A -1.6388
79 E A -2.3329
80 D A -1.6798
81 P A -1.4241
82 C A -1.0417
83 H A -1.6268
84 S A -1.1580
85 G A -0.8441
86 P A -0.3914
87 C A -0.7580
88 A A -0.5524
89 G A -1.1125
90 R A -1.8654
91 G A -1.0250
92 V A 0.4932
93 C A -0.2761
94 Q A -1.0553
95 S A -0.6927
96 S A -0.2131
97 V A 0.5807
98 V A 1.3662
99 A A 0.5258
100 G A -0.2715
101 T A -0.2858
102 A A 0.0000
103 R A -1.4696
104 F A -0.6470
105 S A -0.8356
106 C A -0.8491
107 R A -1.5201
108 C A -0.9676
109 P A -1.1893
110 R A -2.0170
111 G A -0.5424
112 F A -0.2775
113 R A -0.5717
114 G A -0.5272
115 P A -0.6954
116 D A -0.7007
117 C A 0.0000
118 S A -0.2791
119 L A 0.4655
120 P A -0.2041
121 D A -0.4462
122 P A -0.1945
123 C A -0.1271
124 L A 0.0888
125 S A -0.0641
126 S A -0.3139
127 P A -0.4871
128 C A -1.1400
129 A A -1.5704
130 H A -1.6361
131 G A -1.2610
132 A A -1.5882
133 R A -1.8994
134 C A -0.4327
135 S A -0.2717
136 V A -0.0450
137 G A -0.7889
138 P A -1.2766
139 D A -2.3269
140 G A -1.6013
141 R A -2.1179
142 F A -0.7792
143 L A -0.2848
144 C A -0.8383
145 S A -0.9615
146 C A -1.2581
147 P A -0.7922
148 P A -0.4818
149 G A -0.6717
150 Y A -1.6555
151 Q A -2.2999
152 G A -2.2322
153 R A -2.0019
154 S A -1.7533
155 C A 0.0000
156 R A -2.8184
157 S A -2.1827
158 D A -1.7842
159 V A -0.9914
160 D A -0.9232
161 E A -0.9177
162 C A -1.1995
163 R A -1.6050
164 V A 0.3003
165 G A -0.8911
166 E A -2.3235
167 P A -1.6888
168 C A 0.0000
169 R A -2.8875
170 H A -2.1491
171 G A -1.7767
172 G A -1.7504
173 T A -1.3104
174 C A -1.4124
175 L A -0.5357
176 N A -1.0685
177 T A -0.6979
178 P A -0.8443
179 G A -0.9483
180 S A -0.6441
181 F A -0.7324
182 R A -1.7916
183 C A -1.6582
184 Q A -1.3729
185 C A -1.2655
186 P A -0.7179
187 A A -0.2168
188 G A -0.0382
189 Y A -0.6269
190 T A -0.7071
191 G A -0.8752
192 P A -1.0679
193 L A -1.3514
194 C A 0.0000
195 E A -1.6962
196 N A -1.4441
197 P A -0.4606
198 A A 0.6227
199 V A 1.8486
200 P A 0.8191
201 C A 0.8049
202 A A 0.4831
203 P A 0.1117
204 S A -0.4875
205 P A -0.8988
206 C A 0.0000
207 R A -2.9998
208 N A -2.0515
209 G A -1.3671
210 G A -1.6683
211 T A -0.9618
212 Y A -1.5978
213 R A -2.8021
214 Q A -2.5205
215 S A -1.7680
216 G A -1.3670
217 D A -1.3638
218 L A 0.6990
219 T A -0.6512
220 Y A -1.7486
221 D A -2.7273
222 C A -2.2616
223 A A -0.8510
224 C A -0.8798
225 L A 0.1385
226 P A -0.0065
227 G A -0.5176
228 F A -1.1248
229 E A -2.3134
230 G A -2.0907
231 Q A -2.3871
232 N A -2.4194
233 C A 0.0000
234 E A -2.4320
235 V A -1.0246
236 N A -0.7891
237 V A -0.9744
238 D A -1.9799
239 D A -1.9533
240 C A -1.7503
241 P A -1.4051
242 G A -1.3541
243 H A -1.6511
244 R A -2.0744
245 C A 0.0000
246 L A 0.0927
247 N A -0.6007
248 G A -0.5879
249 G A 0.0000
250 T A -0.6616
251 C A -0.9648
252 V A -0.6484
253 D A -1.1405
254 G A -0.3655
255 V A 0.6356
256 N A -0.8381
257 T A -0.8182
258 Y A -1.3177
259 N A -1.8728
260 C A -1.3830
261 Q A -1.4449
262 C A -1.0740
263 P A -0.7237
264 P A -0.6624
265 E A -1.0669
266 W A -1.0502
267 T A -1.4633
268 G A -1.5544
269 Q A -1.9495
270 F A -1.3361
271 C A 0.0000
272 T A -1.2251
273 E A -2.0405
274 D A -1.2550
275 V A -0.8136
276 D A -0.9761
277 E A -1.1181
278 C A -1.0017
279 Q A -1.2048
280 L A -0.0129
281 Q A -1.4675
282 P A -1.4911
283 N A -2.1299
284 A A -1.4463
285 C A 0.0000
286 H A -2.0816
287 N A -1.6233
288 G A -1.2108
289 G A -0.9548
290 T A -0.3185
291 C A -0.4152
292 F A 0.2249
293 N A -0.4992
294 T A 0.1512
295 L A 0.5490
296 G A -0.3734
297 G A -0.2473
298 H A -0.5617
299 S A -0.5779
300 C A -0.5703
301 V A 0.0000
302 C A 0.0000
303 V A -0.1499
304 N A -0.0321
305 G A 0.0000
306 W A -0.9034
307 T A -1.4225
308 G A -1.5703
309 E A -2.2188
310 S A -1.7499
311 C A 0.0000
312 S A -1.6604
313 Q A -2.0530
314 N A -1.4095
315 I A -1.0184
316 D A -2.1343
317 D A -0.9912
318 C A -0.4289
319 A A -0.2319
320 T A 0.1265
321 A A 0.9011
322 V A 1.9832
323 C A 1.6893
324 F A 1.0654
325 H A -0.7897
326 G A -0.4762
327 A A 0.2758
328 T A 0.2649
329 C A 0.3085
330 H A -0.8192
331 D A -1.3867
332 R A -1.5614
333 V A 0.0340
334 A A -0.1005
335 S A -0.3583
336 F A 0.0702
337 Y A 1.0865
338 C A 1.4085
339 A A 0.6562
340 C A 0.5991
341 P A 0.1988
342 M A 0.7929
343 G A -0.0190
344 K A -0.8094
345 T A -0.5054
346 G A 0.2590
347 L A 1.9481
348 L A 1.7826
349 C A 0.0000
350 H A -0.2760
351 L A -1.1657
352 D A -2.5310
353 D A -1.6538
354 A A -1.4429
355 C A -0.6425
356 V A 0.3254
357 S A -0.3239
358 N A -1.1171
359 P A -1.0582
360 C A -1.2314
361 H A -2.1370
362 E A -2.8408
363 D A -2.1867
364 A A -0.7997
365 I A 1.0429
366 C A -0.1420
367 D A -1.2561
368 T A 0.0000
369 N A -1.2101
370 P A -0.4689
371 V A 0.6697
372 N A -1.3416
373 G A -1.9292
374 R A -2.4193
375 A A 0.0000
376 I A 0.2034
377 C A -0.0961
378 T A 0.5243
379 C A -0.3066
380 P A -0.3497
381 P A -0.4282
382 G A -0.7467
383 F A -1.4312
384 T A -1.2007
385 G A -1.3837
386 G A -0.9111
387 A A -1.2450
388 C A 0.0000
389 D A -2.9108
390 Q A -2.5822
391 D A -1.9943
392 V A -0.9738
393 D A -1.0299
394 E A -0.2160
395 C A -0.1384
396 S A 0.0960
397 I A 1.2141
398 G A 0.1959
399 A A -0.4817
400 N A -1.5261
401 P A -1.2341
402 C A 0.0000
403 E A -2.8720
404 H A -1.7562
405 L A -0.1637
406 G A 0.0000
407 R A -2.1849
408 C A 0.0000
409 V A 0.1039
410 N A -0.4242
411 T A -0.4268
412 Q A -1.8235
413 G A -1.4494
414 S A -0.2562
415 F A 0.4458
416 L A 0.9244
417 C A -0.8944
418 Q A -1.5522
419 C A -1.7554
420 G A -1.3408
421 R A -1.8342
422 G A 0.0000
423 Y A -1.2972
424 T A -1.6353
425 G A -1.5855
426 P A -1.3207
427 R A -2.8226
428 C A 0.0000
429 E A -2.8620
430 T A -1.8425
431 D A -1.7327
432 V A -0.7708
433 N A -0.6336
434 E A -0.7668
435 C A -0.0267
436 L A 0.9263
437 S A 0.0818
438 G A -0.4967
439 P A -0.3915
440 C A -0.7524
441 R A -2.3262
442 N A -1.8590
443 Q A -1.7862
444 A A -0.4182
445 T A 0.3077
446 C A 0.4766
447 L A 0.5552
448 D A -0.7637
449 R A -1.2629
450 I A 0.0941
451 G A 0.0000
452 Q A -1.0648
453 F A -0.1615
454 T A 0.3956
455 C A 0.9012
456 I A 2.0127
457 C A 0.7921
458 M A 0.3313
459 A A 0.4879
460 G A -0.4630
461 F A -0.1921
462 T A 0.1109
463 G A -0.0464
464 T A 0.2392
465 Y A 0.2366
466 C A 0.0000
467 E A -1.1449
468 V A -0.3103
469 D A -1.7714
470 I A -1.4401
471 D A -3.2252
472 E A -2.9616
473 C A -2.2232
474 Q A -2.2879
475 S A -1.3564
476 S A -0.5281
477 P A -0.0745
478 C A 0.3040
479 V A 0.5492
480 N A -0.7040
481 G A -0.2473
482 G A 0.3968
483 V A 1.2744
484 C A -0.3081
485 K A -2.1696
486 D A -3.5121
487 R A -2.7676
488 V A -0.4334
489 N A -1.0842
490 G A -1.3175
491 F A -1.4835
492 S A -0.7324
493 C A 0.2442
494 T A 0.4052
495 C A 0.3700
496 P A -0.2838
497 S A -0.8611
498 G A -1.4971
499 F A -0.8401
500 S A -0.3622
501 G A -0.5020
502 S A -0.2755
503 T A 0.0510
504 C A 0.0000
505 Q A -0.9588
506 L A -0.2675
507 D A -2.2572
508 V A -1.4720
509 D A -2.4223
510 E A -2.1480
511 C A -1.4345
512 A A -0.7761
513 S A -0.5345
514 T A -0.7237
515 P A 0.0000
516 C A 0.0000
517 R A -3.0423
518 N A -2.8786
519 G A -2.2638
520 A A -2.8224
521 K A -2.9939
522 C A -2.0746
523 V A -2.0219
524 D A -3.2056
525 Q A -2.7504
526 P A -2.2765
527 D A -2.7432
528 G A -2.0460
529 Y A -1.9961
530 E A -2.5832
531 C A -2.4087
532 R A -3.0738
533 C A -2.8121
534 A A -2.0315
535 E A -1.8447
536 G A 0.0000
537 F A -2.6244
538 E A -3.3491
539 G A -2.1836
540 T A -1.4748
541 L A -1.7175
542 C A 0.0000
543 D A -3.7460
544 R A -3.9682
545 N A -2.8872
546 V A -1.9921
547 D A -2.5090
548 D A -1.6098
549 C A -1.7245
550 S A -1.6980
551 P A -1.5879
552 D A -2.6895
553 P A -1.8839
554 C A 0.0000
555 H A -2.5042
556 H A -1.9350
557 G A -1.8103
558 R A -2.1988
559 C A -1.1536
560 V A 0.0403
561 D A -1.0103
562 G A 0.2065
563 I A 1.0431
564 A A -0.0513
565 S A 0.2930
566 F A 0.0804
567 S A -0.1847
568 C A -0.8990
569 A A -0.4994
570 C A -0.8631
571 A A -0.5303
572 P A -0.3083
573 G A -0.6005
574 Y A -0.7698
575 T A -0.6742
576 G A -1.1293
577 T A -1.0758
578 R A -2.2986
579 C A 0.0000
580 E A -2.3443
581 S A -1.5257
582 Q A -1.2210
583 V A -1.0909
584 D A -2.5367
585 E A -2.3734
586 C A 0.0000
587 R A -3.0001
588 S A -1.9689
589 Q A -2.7319
590 P A -1.2614
591 C A -1.6495
592 R A -2.8740
593 H A -1.9338
594 G A -2.1529
595 G A -2.1631
596 K A -2.6229
597 C A -1.3825
598 L A -0.4559
599 D A -1.8059
600 L A -0.1706
601 V A 0.0444
602 D A -1.9888
603 K A -1.6582
604 Y A -0.1491
605 L A 1.0292
606 C A -0.5726
607 R A -1.8710
608 C A -1.2978
609 P A -1.0680
610 S A -0.3045
611 G A -0.7154
612 T A -0.6562
613 T A 0.1795
614 G A 0.2135
615 V A 1.3596
616 N A -0.4765
617 C A 0.0000
618 E A -0.7290
619 V A 0.4177
620 N A -0.7627
621 I A -0.2029
622 D A -2.1776
623 D A -2.6886
624 C A -1.9914
625 A A -1.0184
626 S A -1.1778
627 N A -1.4305
628 P A -0.4420
629 C A 0.0000
630 T A 0.4718
631 F A 1.2996
632 G A 0.7351
633 V A 0.9077
634 C A 0.0000
635 R A -2.5620
636 D A -2.6546
637 G A -1.9672
638 I A -0.7531
639 N A -2.1047
640 R A -2.9311
641 Y A -2.3932
642 D A -1.8185
643 C A 0.0835
644 V A 1.2991
645 C A 0.7337
646 Q A -0.9774
647 P A -1.3797
648 G A -1.9160
649 F A -0.6020
650 T A 0.2166
651 G A 0.3871
652 P A 0.0282
653 L A 0.9050
654 C A 0.0000
655 N A -0.3187
656 V A 0.6145
657 E A -1.5030
658 I A -1.0086
659 N A -1.7750
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1953 E A -1.9761
1954 A A 0.0000
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1960 K A -2.2627
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -1.5764
1982 E A -0.8558
1983 G A -0.8974
1984 S A 0.0000
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1986 E A -1.2326
1987 A A 0.0000
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1989 K A -1.2036
1990 L A -0.6487
1991 L A 0.0000
1992 L A -0.6879
1993 D A -1.4338
1994 H A -0.4319
1995 F A 0.8357
1996 A A 0.0000
1997 N A -0.8677
1998 R A -1.4401
1999 E A -2.0673
2000 I A -1.4964
2001 T A -1.7118
2002 D A 0.0000
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2006 R A -1.5312
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2008 P A 0.0000
2009 R A -3.1958
2010 D A -2.9315
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.2996
2015 R A -2.7854
2016 L A -1.0088
2017 H A -2.0926
2018 Q A -2.6465
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2247 P A -0.0850
2248 S A -0.8595
2249 P A -1.3768
2250 E A -2.1605
2251 S A -1.7393
2252 P A -1.9318
2253 E A -2.2120
2254 H A -1.3846
2255 W A 0.2073
2256 A A -0.0552
2257 S A -0.1843
2258 P A -0.4005
2259 S A -0.5985
2260 P A -0.4455
2261 P A -0.2563
2262 S A 0.0460
2263 L A 0.9405
2264 S A -0.2821
2265 D A -1.0210
2266 W A -0.1344
2267 S A -0.8988
2268 E A -1.8086
2269 S A -1.1333
2270 T A -0.8999
2271 P A -0.7064
2272 S A -0.4978
2273 P A -0.4154
2274 A A -0.1436
2275 T A -0.0761
2276 A A -0.0938
2277 T A -0.2798
2278 G A -0.2364
2279 A A 0.3327
2280 M A 1.0002
2281 A A 0.6069
2282 T A 0.1365
2283 T A -0.2311
2284 T A -0.3426
2285 G A -0.1378
2286 A A 0.4840
2287 L A 1.2280
2288 P A 0.2558
2289 A A -0.2180
2290 Q A -0.8127
2291 P A -0.1172
2292 L A 1.3362
2293 P A 1.0394
2294 L A 2.0820
2295 S A 1.5940
2296 V A 1.8496
2297 P A 0.5874
2298 S A 0.2913
2299 S A 0.4090
2300 L A 1.1450
2301 A A 0.1446
2302 Q A -1.1084
2303 A A -1.1865
2304 Q A -1.7855
2305 T A -0.9967
2306 Q A -0.8544
2307 L A 0.5226
2308 G A -0.4100
2309 P A -0.9663
2310 Q A -1.6304
2311 P A -1.4978
2312 E A -1.4145
2313 V A 0.4048
2314 T A -0.1689
2315 P A -1.2794
2316 K A -2.8479
2317 R A -2.8309
2318 Q A -1.3929
2319 V A 1.6199
2320 L A 2.0737
2321 A A 1.2304
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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 -0.0591 6.8553 View CSV PDB
4.5 -0.1415 6.7825 View CSV PDB
5.0 -0.2409 6.6785 View CSV PDB
5.5 -0.3435 6.5607 View CSV PDB
6.0 -0.4369 6.4475 View CSV PDB
6.5 -0.514 6.3574 View CSV PDB
7.0 -0.5748 6.303 View CSV PDB
7.5 -0.6245 6.2787 View CSV PDB
8.0 -0.6664 6.2698 View CSV PDB
8.5 -0.6988 6.2668 View CSV PDB
9.0 -0.7184 6.2659 View CSV PDB