Project name: C522P

Status: done

Started: 2026-05-14 00:44:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKPVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:34)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:34)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:34:43)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/80a9696b8c43d63/tmp/folded.pdb                (00:34:43)
[INFO]       Main:     Simulation completed successfully.                                          (01:07:44)
Show buried residues

Minimal score value
-5.0632
Maximal score value
5.623
Average score
-0.7777
Total score value
-1805.085

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 0.7039
2 G A -0.2097
3 P A -0.6879
4 G A -1.1194
5 A A -1.5900
6 R A -3.0024
7 G A -3.1019
8 R A -4.3197
9 R A -4.8680
10 R A -5.0632
11 R A -5.0402
12 R A -4.3490
13 R A -3.4231
14 P A -1.5047
15 M A -0.0850
16 S A -0.2682
17 P A -0.3307
18 P A -0.4909
19 P A -0.7112
20 P A -0.7148
21 P A -0.3987
22 P A -0.4233
23 P A -0.1722
24 V A 0.8893
25 R A -0.6073
26 A A 0.5599
27 L A 1.8489
28 P A 1.8073
29 L A 3.3223
30 L A 3.9949
31 L A 3.9820
32 L A 3.7458
33 L A 2.8553
34 A A 1.1638
35 G A 0.0282
36 P A -0.4591
37 G A -0.6639
38 A A -0.3098
39 A A -0.7358
40 A A -0.9928
41 P A -0.5242
42 P A -0.6445
43 C A -0.4348
44 L A 0.4501
45 D A -1.2775
46 G A -0.8747
47 S A -1.1334
48 P A -1.2238
49 C A -1.6712
50 A A -1.6229
51 N A -1.8307
52 G A -1.3799
53 G A 0.0000
54 R A -1.7275
55 C A 0.0000
56 T A -0.4894
57 Q A -1.3384
58 L A -0.7688
59 P A -0.9684
60 S A -1.4500
61 R A -2.4371
62 E A -2.5797
63 A A -1.4213
64 A A -1.1680
65 C A -0.7408
66 L A 0.4949
67 C A -0.2898
68 P A -0.1978
69 P A -0.4291
70 G A -0.9942
71 W A -0.9276
72 V A -0.9858
73 G A -1.2642
74 E A -2.4533
75 R A -2.9038
76 C A 0.0000
77 Q A -2.0444
78 L A -1.6524
79 E A -2.3087
80 D A -1.6105
81 P A -1.3609
82 C A -0.9829
83 H A -1.5179
84 S A -1.1377
85 G A -0.8500
86 P A -0.3504
87 C A -0.8249
88 A A -0.6362
89 G A -1.0576
90 R A -1.8549
91 G A -1.1484
92 V A 0.3318
93 C A -0.3597
94 Q A -0.9424
95 S A -0.5839
96 S A -0.1389
97 V A 0.6621
98 V A 1.5714
99 A A 0.6201
100 G A -0.2029
101 T A -0.1984
102 A A 0.0000
103 R A -1.3845
104 F A -0.7294
105 S A -0.8689
106 C A -1.0051
107 R A -1.8055
108 C A -1.1946
109 P A -1.2930
110 R A -1.8790
111 G A 0.0000
112 F A -0.3297
113 R A -0.9022
114 G A -0.7854
115 P A -0.8876
116 D A -0.9653
117 C A 0.0000
118 S A -0.4059
119 L A 0.3459
120 P A 0.0876
121 D A -0.1615
122 P A 0.1150
123 C A 0.2362
124 L A 0.9071
125 S A 0.3559
126 S A -0.0742
127 P A -0.2768
128 C A -1.0891
129 A A -1.6709
130 H A -1.7768
131 G A -1.3154
132 A A -1.5403
133 R A -1.7784
134 C A -0.3443
135 S A -0.1691
136 V A -0.2862
137 G A -0.7393
138 P A -1.2869
139 D A -2.3231
140 G A -1.6287
141 R A -1.9803
142 F A -0.4617
143 L A 0.3967
144 C A -0.5909
145 S A -0.8591
146 C A -1.3373
147 P A -0.8701
148 P A -0.6098
149 G A -0.9526
150 Y A -1.8956
151 Q A -2.4345
152 G A -2.5053
153 R A -2.3145
154 S A -1.8517
155 C A 0.0000
156 R A -2.9868
157 S A -2.3508
158 D A -2.0595
159 V A -1.2025
160 D A -1.0817
161 E A -1.5319
162 C A -1.4318
163 R A -1.7153
164 V A 0.0724
165 G A -1.1157
166 E A -2.3837
167 P A -1.6048
168 C A 0.0000
169 R A -3.0088
170 H A -2.2891
171 G A -1.6830
172 G A 0.0000
173 T A -1.1797
174 C A -1.3326
175 L A -0.4856
176 N A -1.1815
177 T A -0.8005
178 P A -1.0181
179 G A -1.1536
180 S A -0.8392
181 F A -0.9158
182 R A -1.8083
183 C A -1.5483
184 Q A -1.3114
185 C A -1.3843
186 P A -0.6346
187 A A 0.1552
188 G A 0.0572
189 Y A -0.6294
190 T A -0.9277
191 G A -1.1671
192 P A -1.2383
193 L A -1.6309
194 C A 0.0000
195 E A -2.5838
196 N A -2.0418
197 P A -0.7675
198 A A 0.1852
199 V A 0.9482
200 P A -0.1024
201 C A -0.2747
202 A A 0.2392
203 P A -0.0037
204 S A -0.7194
205 P A -1.0244
206 C A -2.0761
207 R A -2.7841
208 N A -1.8510
209 G A -1.2107
210 G A -1.4925
211 T A -1.1933
212 C A -1.8405
213 R A -2.9321
214 Q A -2.4364
215 S A -1.7936
216 G A -1.3049
217 D A -1.2263
218 L A 0.5562
219 T A -0.5940
220 Y A -1.6236
221 D A -2.8140
222 C A 0.0000
223 A A -0.9281
224 C A -0.8028
225 L A 0.1303
226 P A -0.0237
227 G A -0.4035
228 F A -0.9993
229 E A -2.0306
230 G A -1.8215
231 Q A -2.3239
232 N A -2.2379
233 C A 0.0000
234 E A -1.8181
235 V A -0.6968
236 N A -0.6489
237 V A -0.8592
238 D A -1.6875
239 D A -1.6763
240 C A -1.5994
241 P A -1.3255
242 G A -1.3056
243 H A -1.6264
244 R A -2.0941
245 C A -1.0149
246 L A 0.0376
247 N A -0.8530
248 G A -0.6136
249 G A -0.8410
250 T A -0.7188
251 C A -0.9273
252 V A -0.5994
253 D A -1.1186
254 G A -0.3895
255 V A 0.5285
256 N A -0.7558
257 T A -0.7592
258 Y A -1.3838
259 N A -1.7494
260 C A -1.4017
261 Q A -1.4484
262 C A -1.1428
263 P A -0.6926
264 P A -0.7924
265 E A -1.4026
266 W A -1.3383
267 T A -1.3928
268 G A -1.6387
269 Q A -1.9391
270 F A -1.3808
271 C A 0.0000
272 T A -1.1759
273 E A -2.5564
274 D A -1.8227
275 V A 0.0000
276 D A -1.0995
277 E A -1.0163
278 C A -0.8013
279 Q A -1.1147
280 L A -0.0339
281 Q A -1.4680
282 P A -1.5495
283 N A -2.1520
284 A A -1.4304
285 C A 0.0000
286 H A -1.9703
287 N A -1.5941
288 G A -0.9140
289 G A -0.1009
290 T A 0.7246
291 C A 0.4635
292 F A 1.5955
293 N A -0.2096
294 T A -0.0876
295 L A -0.4453
296 G A -0.9222
297 G A -0.5378
298 H A -0.5637
299 S A 0.1184
300 C A 0.6828
301 V A 1.9683
302 C A 0.4498
303 V A 0.6717
304 N A -0.3506
305 G A 0.0000
306 W A -0.4983
307 T A -0.8601
308 G A -1.3297
309 E A -2.0317
310 S A -1.4978
311 C A 0.0000
312 S A -1.5810
313 Q A -1.9438
314 N A -1.2594
315 I A -0.7636
316 D A -1.9973
317 D A -1.0945
318 C A -0.5539
319 A A -0.2672
320 T A -0.0136
321 A A 0.6680
322 V A 1.8191
323 C A 1.2637
324 F A 0.4688
325 H A -1.1008
326 G A -0.6605
327 A A -0.0452
328 T A -0.0032
329 C A -0.0648
330 H A -1.2816
331 D A -1.3022
332 R A -0.8373
333 V A 0.1983
334 A A -0.1892
335 S A -0.3579
336 F A 0.1266
337 Y A 0.6785
338 C A 0.0000
339 A A 0.4182
340 C A 0.3842
341 P A 0.1163
342 M A 0.8021
343 G A -0.0776
344 K A -1.1596
345 T A -0.7401
346 G A 0.1505
347 L A 1.8721
348 L A 1.4167
349 C A 0.0000
350 H A -0.8327
351 L A -1.6125
352 D A -2.5508
353 D A -1.5412
354 A A -1.3345
355 C A -0.6449
356 V A 0.5162
357 S A -0.1724
358 N A -1.0789
359 P A -0.7473
360 C A -1.4475
361 H A -2.1766
362 E A -2.9348
363 D A -2.3449
364 A A -1.2190
365 I A 0.0428
366 C A -0.4557
367 D A -1.4100
368 T A 0.0000
369 N A -1.7266
370 P A -0.9242
371 V A -1.1790
372 N A -2.3936
373 G A -2.4141
374 R A -2.7145
375 A A -1.4381
376 I A -0.7747
377 C A -0.6149
378 T A -0.4707
379 C A -0.6870
380 P A -0.6915
381 P A -0.6899
382 G A -0.8113
383 F A -1.4736
384 T A -1.2119
385 G A -1.3769
386 G A -1.0353
387 A A -1.3393
388 C A 0.0000
389 D A -2.7606
390 Q A -2.5919
391 D A -2.0440
392 V A -1.0855
393 D A -1.2313
394 E A -0.3227
395 C A -0.1395
396 S A 0.0615
397 I A 1.1745
398 G A 0.1817
399 A A -0.4826
400 N A -1.5413
401 P A -1.0125
402 C A 0.0000
403 E A -2.4871
404 H A -1.6563
405 L A -0.1017
406 G A 0.0000
407 R A -2.0921
408 C A 0.0000
409 V A 0.2845
410 N A -0.4029
411 T A -0.4305
412 Q A -1.6770
413 G A -1.4594
414 S A -0.2354
415 F A 0.5478
416 L A 1.0733
417 C A -0.7144
418 Q A -1.4541
419 C A -1.6381
420 G A -1.3122
421 R A -1.9581
422 G A -1.2790
423 Y A -1.2575
424 T A -1.5365
425 G A -1.4070
426 P A -1.0978
427 R A -2.3981
428 C A 0.0000
429 E A -2.4255
430 T A -1.7003
431 D A -1.8250
432 V A -0.8700
433 N A -0.8214
434 E A -0.9543
435 C A -0.1541
436 L A 0.9468
437 S A 0.0794
438 G A -0.4885
439 P A -0.3986
440 C A -0.8367
441 R A -2.2222
442 N A -2.0903
443 Q A -1.7576
444 A A -0.5618
445 T A 0.1375
446 C A 0.3063
447 L A 0.0561
448 D A -1.0297
449 R A -1.5828
450 I A -0.1441
451 G A 0.0000
452 Q A -1.5824
453 F A -0.5412
454 T A 0.0966
455 C A 0.7846
456 I A 1.5469
457 C A 0.6324
458 M A 0.0813
459 A A 0.1415
460 G A -0.9228
461 F A 0.0000
462 T A 0.0108
463 G A -0.0746
464 T A 0.2170
465 Y A 0.1606
466 C A 0.0000
467 E A -1.0284
468 V A -0.3139
469 D A -2.0194
470 I A -1.7085
471 D A -3.5100
472 E A -3.3173
473 C A -2.3937
474 Q A -2.3161
475 S A -1.3910
476 S A -0.7005
477 P A -0.0884
478 C A 0.2680
479 V A 0.6034
480 N A -0.6952
481 G A -0.2503
482 G A 0.3385
483 V A 1.1619
484 C A -0.5512
485 K A -2.6411
486 D A -3.9326
487 R A -3.2060
488 V A -0.9915
489 N A -1.7670
490 G A -1.7314
491 F A -1.9005
492 S A -1.0669
493 C A 0.0543
494 T A 0.2247
495 C A 0.3499
496 P A -0.2981
497 S A -0.8816
498 G A -1.6729
499 F A -0.9080
500 S A -0.5572
501 G A -0.4945
502 S A -0.2606
503 T A 0.0414
504 C A 0.0000
505 Q A -0.9536
506 L A -0.2814
507 D A -2.3838
508 V A -1.7098
509 D A -2.7792
510 E A -2.6198
511 C A -1.6938
512 A A -0.9482
513 S A -0.6796
514 T A -0.7228
515 P A -0.8336
516 C A 0.0000
517 R A -3.2477
518 N A -2.9473
519 G A -2.4262
520 A A -2.9243
521 K A -3.0638
522 P A -2.2193
523 V A -2.0464
524 D A -3.4240
525 Q A -3.1842
526 P A -2.5206
527 D A -2.9269
528 G A -2.2501
529 Y A -2.1340
530 E A -2.6314
531 C A -2.4241
532 R A -2.8606
533 C A -2.8287
534 A A -1.8625
535 E A -1.8099
536 G A -1.2078
537 F A -2.4934
538 E A -2.6697
539 G A -1.8599
540 T A -1.4087
541 L A -1.7134
542 C A 0.0000
543 D A -3.7458
544 R A -3.8901
545 N A -2.8727
546 V A -1.7703
547 D A -2.4329
548 D A -1.7862
549 C A -1.9158
550 S A -1.7002
551 P A -1.5549
552 D A -2.7464
553 P A -1.7165
554 C A -2.1008
555 H A -2.5537
556 H A -2.0637
557 G A -1.8692
558 R A -2.3092
559 C A -1.4337
560 V A -0.5284
561 D A -1.7731
562 G A -0.1973
563 I A 0.8745
564 A A -0.1878
565 S A -0.0835
566 F A -0.3565
567 S A -0.4556
568 C A -1.0449
569 A A -0.5457
570 C A -0.9952
571 A A -0.8333
572 P A -0.4868
573 G A -0.9222
574 Y A -1.1723
575 T A -1.1069
576 G A -1.3298
577 T A -1.0314
578 R A -2.3519
579 C A 0.0000
580 E A -2.7768
581 S A -1.9438
582 Q A -1.6643
583 V A -1.6367
584 D A -2.6739
585 E A -2.4109
586 C A -2.4077
587 R A -3.0130
588 S A -1.9706
589 Q A -2.7142
590 P A -1.5732
591 C A 0.0000
592 R A -2.8350
593 H A -1.8678
594 G A -2.0750
595 G A 0.0000
596 K A -2.7957
597 C A 0.0000
598 L A -0.8419
599 D A -1.8525
600 L A -0.2451
601 V A 0.0117
602 D A -2.1152
603 K A -1.8805
604 Y A -0.5471
605 L A 0.2550
606 C A -1.0545
607 R A -2.0605
608 C A -1.2843
609 P A -1.3349
610 S A -0.6569
611 G A -0.9810
612 T A 0.0000
613 T A 0.0796
614 G A 0.4108
615 V A 1.3668
616 N A -0.5089
617 C A 0.0000
618 E A -0.5450
619 V A 0.5270
620 N A -0.7782
621 I A -0.4842
622 D A -2.2824
623 D A -2.8084
624 C A 0.0000
625 A A -1.0806
626 S A -1.2009
627 N A -1.3201
628 P A -0.3749
629 C A 0.0139
630 T A 0.4373
631 F A 0.9348
632 G A 0.4902
633 V A 1.0928
634 C A -0.5961
635 R A -2.5726
636 D A -2.6260
637 G A -2.2673
638 I A -1.2528
639 N A -2.3459
640 R A -3.1214
641 Y A -2.6455
642 D A -2.1571
643 C A -0.4840
644 V A 0.3334
645 C A 0.0549
646 Q A -1.2474
647 P A -1.6361
648 G A 0.0000
649 F A -0.9628
650 T A -0.0112
651 G A 0.1941
652 P A -0.0004
653 L A 0.9309
654 C A 0.0000
655 N A -0.3565
656 V A 0.5801
657 E A -1.8168
658 I A -1.3655
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1952 V A -0.7239
1953 E A -2.0342
1954 A A 0.0000
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1968 Q A -2.1403
1969 D A 0.0000
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1971 K A -1.8307
1972 E A -2.7267
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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1980 A A 0.0000
1981 R A -1.7943
1982 E A -1.2719
1983 G A -1.1128
1984 S A 0.0000
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1986 E A -1.5497
1987 A A 0.0000
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1989 K A -1.7444
1990 L A -0.9362
1991 L A 0.0000
1992 L A -1.1008
1993 D A -1.7675
1994 H A -0.8552
1995 F A -0.3203
1996 A A 0.0000
1997 N A -0.9832
1998 R A -1.4280
1999 E A -2.0266
2000 I A -1.5069
2001 T A -1.7311
2002 D A 0.0000
2003 H A -1.6467
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2006 R A -1.5910
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2008 P A 0.0000
2009 R A -2.9378
2010 D A -2.6660
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2012 A A 0.0000
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2014 E A -3.2336
2015 R A -2.7505
2016 L A -0.9294
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2018 Q A -2.4452
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2241 E A -2.4507
2242 H A -1.6943
2243 P A -0.2151
2244 Y A 1.5268
2245 L A 1.9312
2246 T A 0.8278
2247 P A -0.1594
2248 S A -0.8152
2249 P A -1.3557
2250 E A -2.2003
2251 S A -1.8414
2252 P A -1.9050
2253 E A -2.2378
2254 H A -1.4308
2255 W A 0.2444
2256 A A 0.1217
2257 S A -0.0876
2258 P A -0.5285
2259 S A -0.6193
2260 P A -0.4518
2261 P A -0.1786
2262 S A 0.1120
2263 L A 0.9517
2264 S A -0.1335
2265 D A -0.9464
2266 W A -0.2117
2267 S A -1.0383
2268 E A -1.8300
2269 S A -1.3298
2270 T A -0.7834
2271 P A -0.6865
2272 S A -0.4859
2273 P A -0.4061
2274 A A -0.1775
2275 T A -0.1690
2276 A A -0.1377
2277 T A -0.2752
2278 G A -0.2116
2279 A A 0.3327
2280 M A 0.9827
2281 A A 0.5392
2282 T A 0.1482
2283 T A -0.1278
2284 T A -0.2091
2285 G A -0.1516
2286 A A 0.5382
2287 L A 1.2184
2288 P A 0.2176
2289 A A -0.1902
2290 Q A -0.7961
2291 P A 0.0485
2292 L A 1.3857
2293 P A 1.1905
2294 L A 2.1188
2295 S A 1.5599
2296 V A 1.8275
2297 P A 0.7344
2298 S A 0.3272
2299 S A 0.6654
2300 L A 1.1258
2301 A A 0.1179
2302 Q A -1.0730
2303 A A -1.1282
2304 Q A -1.6077
2305 T A -0.9373
2306 Q A -0.8544
2307 L A 0.4990
2308 G A -0.2617
2309 P A -0.8121
2310 Q A -1.9297
2311 P A -1.4664
2312 E A -1.2922
2313 V A 0.6834
2314 T A -0.1411
2315 P A -1.2592
2316 K A -3.0462
2317 R A -2.9805
2318 Q A -1.4203
2319 V A 1.5183
2320 L A 2.1907
2321 A A 1.2734
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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 -0.1065 6.8225 View CSV PDB
4.5 -0.1906 6.8225 View CSV PDB
5.0 -0.2924 6.8225 View CSV PDB
5.5 -0.3976 6.8225 View CSV PDB
6.0 -0.4937 6.8225 View CSV PDB
6.5 -0.5735 6.8225 View CSV PDB
7.0 -0.6364 6.8225 View CSV PDB
7.5 -0.6875 6.8225 View CSV PDB
8.0 -0.7301 6.8225 View CSV PDB
8.5 -0.7629 6.8225 View CSV PDB
9.0 -0.7823 6.8225 View CSV PDB