Project name: C522P_5

Status: done

Started: 2026-05-19 00:24:54
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKPVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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             (00:00:01)
[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.  (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:34)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:32:41)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/31b0f77f07e9058/tmp/folded.pdb                (00:32:41)
[INFO]       Main:     Simulation completed successfully.                                          (01:14:08)
Show buried residues

Minimal score value
-2.5296
Maximal score value
2.2927
Average score
-0.2853
Total score value
-662.1329

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 0.9680
2 G A -0.3200
3 P A -0.4256
4 G A -0.5022
5 A A -0.3645
6 R A -1.9154
7 G A -1.1228
8 R A -2.2624
9 R A -2.5233
10 R A -2.5246
11 R A -2.5255
12 R A -2.5296
13 R A -2.2325
14 P A -0.3942
15 M A 0.9659
16 S A -0.0631
17 P A -0.3412
18 P A -0.3491
19 P A -0.3487
20 P A -0.3486
21 P A -0.3489
22 P A -0.3488
23 P A 0.0281
24 V A 1.3814
25 R A -1.5024
26 A A -0.0015
27 L A 1.5278
28 P A 0.4080
29 L A 1.8055
30 L A 2.1292
31 L A 2.1287
32 L A 2.1294
33 L A 1.8520
34 A A 0.2595
35 G A -0.5016
36 P A -0.4255
37 G A -0.5026
38 A A -0.0171
39 A A 0.0737
40 A A -0.0111
41 P A -0.2638
42 P A -0.0841
43 C A 0.4626
44 L A 1.2615
45 D A -1.5962
46 G A -0.8125
47 S A -0.2107
48 P A -0.0862
49 C A -0.1779
50 A A -0.1338
51 N A -1.0260
52 G A -0.6370
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1468
57 Q A -0.5443
58 L A 0.6259
59 P A -0.1496
60 S A -0.5105
61 R A -1.7917
62 E A -2.0768
63 A A -0.4014
64 A A 0.0310
65 C A 0.3774
66 L A 1.6079
67 C A 0.5094
68 P A -0.0698
69 P A -0.2800
70 G A -0.0769
71 W A 0.1575
72 V A 0.2918
73 G A -0.3622
74 E A -2.1639
75 R A -2.1611
76 C A 0.0000
77 Q A -0.5701
78 L A -0.2139
79 E A -1.7754
80 D A -0.5692
81 P A -0.0709
82 C A -0.0811
83 H A -1.0095
84 S A -0.4757
85 G A -0.5167
86 P A -0.1383
87 C A -0.0188
88 A A -0.0057
89 G A -0.5910
90 R A -1.9035
91 G A -0.0472
92 V A 1.7815
93 C A 0.2860
94 Q A -0.8962
95 S A -0.1555
96 S A -0.0994
97 V A 0.9497
98 V A 1.9053
99 A A 0.2982
100 G A -0.4649
101 T A -0.1342
102 A A 0.0000
103 R A -1.6928
104 F A 0.4215
105 S A -0.0458
106 C A -0.2795
107 R A -1.7874
108 C A -0.1422
109 P A -0.3403
110 R A -1.8519
111 G A 0.0000
112 F A 0.7519
113 R A -0.5194
114 G A -0.3841
115 P A -0.4395
116 D A -0.8466
117 C A 0.0000
118 S A -0.0661
119 L A 0.7270
120 P A -0.0179
121 D A -0.1368
122 P A -0.0798
123 C A 0.2964
124 L A 1.2976
125 S A -0.0101
126 S A -0.2595
127 P A -0.0720
128 C A 0.0694
129 A A -0.1266
130 H A -0.9247
131 G A -0.6172
132 A A -0.4015
133 R A -1.8060
134 C A -0.1782
135 S A -0.1275
136 V A 0.2502
137 G A -0.0426
138 P A -0.5867
139 D A -1.8587
140 G A -0.7793
141 R A -1.8173
142 F A 0.2470
143 L A 1.6130
144 C A 0.3532
145 S A -0.1666
146 C A 0.1151
147 P A -0.0777
148 P A -0.2771
149 G A -0.0547
150 Y A -0.1893
151 Q A -1.2587
152 G A -1.0291
153 R A -1.9396
154 S A -0.3751
155 C A 0.0000
156 R A -1.8833
157 S A -0.7022
158 D A -0.7568
159 V A 0.1695
160 D A -0.4690
161 E A -0.8998
162 C A -0.3434
163 R A -1.4947
164 V A 1.3802
165 G A -0.3123
166 E A -1.8828
167 P A -0.3683
168 C A 0.0000
169 R A -1.8410
170 H A -1.2804
171 G A -0.6258
172 G A 0.0000
173 T A -0.0425
174 C A 0.2747
175 L A 0.7768
176 N A -0.4329
177 T A -0.1268
178 P A -0.2695
179 G A -0.1584
180 S A -0.0945
181 F A -0.0448
182 R A -1.7502
183 C A -0.4599
184 Q A -1.1476
185 C A -0.0598
186 P A -0.0616
187 A A 0.0196
188 G A -0.0232
189 Y A 0.3296
190 T A 0.0246
191 G A -0.2039
192 P A -0.2092
193 L A 0.3689
194 C A 0.0000
195 E A -1.6104
196 N A -1.5201
197 P A -0.4159
198 A A 0.2554
199 V A 1.3494
200 P A 0.2454
201 C A 0.1365
202 A A 0.0053
203 P A -0.2690
204 S A -0.1884
205 P A -0.0655
206 C A -0.3019
207 R A -1.9852
208 N A -1.2645
209 G A -0.6264
210 G A -0.1144
211 T A -0.0605
212 C A -0.2456
213 R A -2.0499
214 Q A -1.5169
215 S A -0.4084
216 G A -0.5384
217 D A -1.5817
218 L A 0.9906
219 T A 0.2432
220 Y A -0.0836
221 D A -1.7045
222 C A 0.0000
223 A A 0.0766
224 C A 0.3926
225 L A 0.8693
226 P A -0.1066
227 G A -0.2735
228 F A -0.1612
229 E A -1.8325
230 G A -0.8595
231 Q A -1.2955
232 N A -0.4360
233 C A 0.0000
234 E A -0.6539
235 V A 0.9151
236 N A -0.0440
237 V A 0.2870
238 D A -1.7522
239 D A -0.8113
240 C A -0.0445
241 P A -0.3239
242 G A -0.6012
243 H A -0.9063
244 R A -1.9198
245 C A 0.0113
246 L A 1.1799
247 N A -0.6344
248 G A -0.6164
249 G A -0.1176
250 T A -0.0614
251 C A 0.2268
252 V A 0.6196
253 D A -0.5567
254 G A 0.0825
255 V A 1.5250
256 N A -0.9280
257 T A -0.2545
258 Y A -0.1465
259 N A -1.2217
260 C A -0.3710
261 Q A -1.1498
262 C A -0.0528
263 P A -0.0675
264 P A -0.3925
265 E A -0.7419
266 W A -0.0277
267 T A -0.2326
268 G A -0.4915
269 Q A -1.2000
270 F A 0.0560
271 C A 0.0000
272 T A -0.3717
273 E A -1.8872
274 D A -0.6328
275 V A 0.0000
276 D A -0.5138
277 E A -0.1784
278 C A -0.1593
279 Q A -0.8994
280 L A 1.0841
281 Q A -0.9607
282 P A -0.7007
283 N A -1.3178
284 A A -0.2222
285 C A 0.0000
286 H A -0.8992
287 N A -1.0137
288 G A -0.6202
289 G A -0.1300
290 T A -0.0476
291 C A 0.4768
292 F A 1.8219
293 N A -0.3528
294 T A -0.1044
295 L A 0.5186
296 G A -0.1344
297 G A -0.1632
298 H A -0.5346
299 S A -0.2423
300 C A 0.4020
301 V A 1.8242
302 C A 0.6873
303 V A 0.7987
304 N A -1.0892
305 G A 0.0000
306 W A 0.1266
307 T A -0.0443
308 G A -0.5918
309 E A -1.8746
310 S A -0.3736
311 C A 0.0000
312 S A -0.4123
313 Q A -1.2983
314 N A -0.3798
315 I A 0.5245
316 D A -1.7340
317 D A -0.9410
318 C A 0.0124
319 A A 0.0667
320 T A -0.0584
321 A A 0.3362
322 V A 1.7948
323 C A 0.5921
324 F A 0.4731
325 H A -0.9593
326 G A -0.6440
327 A A -0.0611
328 T A -0.0411
329 C A -0.0370
330 H A -1.0137
331 D A -0.7003
332 R A -0.7371
333 V A 0.9280
334 A A 0.2176
335 S A -0.0670
336 F A 0.4224
337 Y A 0.7087
338 C A 0.0000
339 A A 0.0896
340 C A 0.2572
341 P A 0.1464
342 M A 1.0182
343 G A -0.0375
344 K A -0.8231
345 T A -0.1195
346 G A 0.1864
347 L A 1.6053
348 L A 0.6727
349 C A 0.0000
350 H A -0.9514
351 L A -0.2928
352 D A -1.8784
353 D A -0.7240
354 A A -0.0326
355 C A 0.3398
356 V A 1.3931
357 S A -0.1806
358 N A -1.3333
359 P A -0.3407
360 C A 0.0293
361 H A -0.4633
362 E A -2.1706
363 D A -2.1171
364 A A -0.0549
365 I A 1.3375
366 C A 0.1016
367 D A -1.6775
368 T A 0.0000
369 N A -0.1775
370 P A -0.1510
371 V A 0.2150
372 N A -1.2026
373 G A -0.6660
374 R A -1.8594
375 A A -0.2829
376 I A 0.2985
377 C A 0.1540
378 T A 0.0218
379 C A 0.1901
380 P A -0.0353
381 P A -0.2687
382 G A -0.0334
383 F A 0.1800
384 T A -0.0651
385 G A -0.4807
386 G A -0.5333
387 A A -0.0516
388 C A 0.0000
389 D A -2.0061
390 Q A -1.5842
391 D A -0.4738
392 V A -0.0083
393 D A -1.3236
394 E A -0.5191
395 C A 0.0964
396 S A 0.1860
397 I A 1.8878
398 G A -0.0836
399 A A -0.2512
400 N A -1.2224
401 P A -0.2508
402 C A 0.0000
403 E A -1.5487
404 H A -0.5442
405 L A 1.4466
406 G A 0.0000
407 R A -1.9668
408 C A 0.0000
409 V A 0.6339
410 N A -0.2281
411 T A -0.3424
412 Q A -1.2175
413 G A -0.3150
414 S A -0.0314
415 F A 0.8277
416 L A 1.6239
417 C A 0.1310
418 Q A -1.3299
419 C A -0.0416
420 G A -0.5747
421 R A -1.9050
422 G A -0.1304
423 Y A -0.0028
424 T A -0.0362
425 G A -0.2149
426 P A -0.5331
427 R A -1.4445
428 C A 0.0000
429 E A -1.0828
430 T A -0.5051
431 D A -1.3243
432 V A 0.2262
433 N A -0.6879
434 E A -0.8454
435 C A 0.2659
436 L A 1.5314
437 S A -0.0155
438 G A -0.5108
439 P A -0.1014
440 C A -0.1660
441 R A -1.9384
442 N A -1.1579
443 Q A -1.3056
444 A A -0.1999
445 T A -0.0425
446 C A 0.2505
447 L A 0.5162
448 D A -0.7237
449 R A -1.5085
450 I A 1.6288
451 G A 0.0000
452 Q A -1.1312
453 F A 0.0668
454 T A 0.0445
455 C A 0.3469
456 I A 1.4434
457 C A 0.5501
458 M A 0.5138
459 A A 0.1349
460 G A -0.2668
461 F A 0.0000
462 T A -0.0857
463 G A -0.2635
464 T A 0.0082
465 Y A 0.6767
466 C A 0.0000
467 E A -0.5527
468 V A 0.7706
469 D A -1.4105
470 I A 0.1575
471 D A -1.8375
472 E A -1.3905
473 C A -0.3087
474 Q A -1.2194
475 S A -0.4689
476 S A -0.2594
477 P A -0.0722
478 C A 0.2621
479 V A 0.9419
480 N A -0.8057
481 G A -0.6427
482 G A 0.2000
483 V A 1.7873
484 C A 0.1859
485 K A -1.9030
486 D A -2.3367
487 R A -1.9032
488 V A 0.8790
489 N A -1.0385
490 G A -0.2261
491 F A 0.3512
492 S A -0.0616
493 C A 0.0721
494 T A -0.0002
495 C A 0.1448
496 P A -0.1171
497 S A -0.2442
498 G A -0.3014
499 F A 0.0751
500 S A 0.0308
501 G A -0.4015
502 S A -0.2778
503 T A -0.0424
504 C A 0.0000
505 Q A -0.9700
506 L A 0.7061
507 D A -1.3785
508 V A 0.0989
509 D A -1.7922
510 E A -1.0887
511 C A -0.0396
512 A A 0.0363
513 S A -0.2148
514 T A -0.1146
515 P A -0.0481
516 C A 0.0000
517 R A -2.0290
518 N A -1.4320
519 G A -0.6454
520 A A -0.3548
521 K A -1.7054
522 P A -0.2273
523 V A 0.2506
524 D A -1.8065
525 Q A -1.5511
526 P A -0.7892
527 D A -1.8643
528 G A -0.3043
529 Y A 0.1459
530 E A -1.6760
531 C A -0.5962
532 R A -1.7801
533 C A -0.0595
534 A A -0.2516
535 E A -1.8275
536 G A -0.3472
537 F A -0.1367
538 E A -1.1980
539 G A -0.5491
540 T A -0.0286
541 L A 0.5476
542 C A 0.0000
543 D A -2.1195
544 R A -2.3659
545 N A -1.2359
546 V A 0.4086
547 D A -1.7591
548 D A -1.0524
549 C A -0.2343
550 S A -0.2600
551 P A -0.6256
552 D A -1.8268
553 P A -0.3364
554 C A -0.2294
555 H A -1.0655
556 H A -0.6961
557 G A -0.5303
558 R A -1.8505
559 C A -0.0218
560 V A 0.8464
561 D A -1.5398
562 G A -0.1849
563 I A 1.9826
564 A A 0.3669
565 S A -0.0618
566 F A 0.3539
567 S A -0.0799
568 C A 0.0729
569 A A -0.0852
570 C A 0.2473
571 A A 0.0296
572 P A -0.2590
573 G A -0.2825
574 Y A 0.0487
575 T A -0.0431
576 G A -0.2837
577 T A -0.2994
578 R A -1.0168
579 C A 0.0000
580 E A -1.7519
581 S A -0.6599
582 Q A -1.1027
583 V A 0.0393
584 D A -1.3035
585 E A -0.5846
586 C A -0.3196
587 R A -1.8699
588 S A -0.7624
589 Q A -1.2434
590 P A -0.2555
591 C A 0.0000
592 R A -1.9345
593 H A -0.9130
594 G A -0.5531
595 G A 0.0000
596 K A -1.7000
597 C A 0.0000
598 L A 0.1784
599 D A -1.5123
600 L A 0.6490
601 V A 1.5981
602 D A -1.7827
603 K A -1.8776
604 Y A -0.0170
605 L A 0.9880
606 C A -0.0932
607 R A -1.7806
608 C A -0.0764
609 P A -0.0910
610 S A -0.2513
611 G A -0.3191
612 T A 0.0000
613 T A -0.0907
614 G A 0.0733
615 V A 1.6815
616 N A 0.0509
617 C A 0.0000
618 E A -0.3250
619 V A 0.9585
620 N A -0.2267
621 I A 0.8220
622 D A -1.7086
623 D A -1.1661
624 C A 0.0000
625 A A 0.0208
626 S A -0.4272
627 N A -1.3197
628 P A -0.2641
629 C A 0.1605
630 T A 0.1170
631 F A 0.9342
632 G A 0.3294
633 V A 1.7795
634 C A 0.1216
635 R A -1.9225
636 D A -0.8124
637 G A -0.3119
638 I A 0.1867
639 N A -1.5418
640 R A -1.9664
641 Y A -0.0918
642 D A -1.6557
643 C A -0.1365
644 V A 0.5660
645 C A 0.0022
646 Q A -1.2269
647 P A -0.6571
648 G A 0.0000
649 F A -0.0629
650 T A -0.0262
651 G A -0.2015
652 P A -0.1068
653 L A 0.9517
654 C A 0.0000
655 N A -0.9582
656 V A 1.2173
657 E A -1.3539
658 I A 0.1074
659 N A -1.2733
660 E A -0.8874
661 C A 0.0265
662 A A 0.0448
663 S A -0.2405
664 S A -0.2612
665 P A -0.0795
666 C A 0.0450
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1950 N A -0.3217
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1952 V A 0.1062
1953 E A -1.7351
1954 A A 0.0000
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1971 K A -1.1818
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1973 E A 0.0000
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1975 P A 0.0000
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1980 A A 0.0000
1981 R A -0.6432
1982 E A -0.9271
1983 G A -0.3082
1984 S A 0.0000
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1986 E A -1.3594
1987 A A 0.0000
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1989 K A -1.2427
1990 L A -0.1878
1991 L A 0.0000
1992 L A -0.0355
1993 D A -1.7787
1994 H A -0.3374
1995 F A 1.1084
1996 A A 0.0000
1997 N A -0.5260
1998 R A -0.7564
1999 E A -1.8227
2000 I A -0.0006
2001 T A -0.1019
2002 D A 0.0000
2003 H A -0.5763
2004 L A 1.0760
2005 D A -1.6044
2006 R A -0.7450
2007 L A 0.3186
2008 P A 0.0000
2009 R A -0.9271
2010 D A -1.2623
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2888
2015 R A -1.5865
2016 L A 1.1279
2017 H A -0.1150
2018 Q A -1.3671
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2263 L A 1.4619
2264 S A -0.2429
2265 D A -1.5410
2266 W A 0.7089
2267 S A -0.3802
2268 E A -1.9134
2269 S A -0.6295
2270 T A -0.1663
2271 P A -0.3115
2272 S A -0.3179
2273 P A -0.2892
2274 A A -0.0070
2275 T A -0.0488
2276 A A 0.0316
2277 T A -0.1518
2278 G A -0.4658
2279 A A 0.1539
2280 M A 1.0782
2281 A A 0.2812
2282 T A -0.0770
2283 T A -0.1011
2284 T A -0.1990
2285 G A -0.4726
2286 A A 0.2755
2287 L A 1.5127
2288 P A 0.0386
2289 A A -0.2700
2290 Q A -1.2312
2291 P A -0.1824
2292 L A 1.4530
2293 P A 0.3163
2294 L A 1.4504
2295 S A 0.4947
2296 V A 1.6836
2297 P A 0.0360
2298 S A -0.3060
2299 S A 0.1027
2300 L A 1.5091
2301 A A 0.0588
2302 Q A -1.1730
2303 A A -0.3935
2304 Q A -1.2022
2305 T A -0.5388
2306 Q A -0.9158
2307 L A 1.2069
2308 G A -0.1444
2309 P A -0.5846
2310 Q A -1.3029
2311 P A -0.8606
2312 E A -1.5023
2313 V A 1.3830
2314 T A 0.2055
2315 P A -0.5900
2316 K A -2.0992
2317 R A -2.4454
2318 Q A -1.2852
2319 V A 1.8360
2320 L A 1.8956
2321 A A 0.3744
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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 -0.009 4.6658 View CSV PDB
4.5 -0.0415 4.6658 View CSV PDB
5.0 -0.081 4.6658 View CSV PDB
5.5 -0.1216 4.6658 View CSV PDB
6.0 -0.1583 4.6658 View CSV PDB
6.5 -0.1882 4.6658 View CSV PDB
7.0 -0.2111 4.6658 View CSV PDB
7.5 -0.229 4.6658 View CSV PDB
8.0 -0.2436 4.6658 View CSV PDB
8.5 -0.2544 4.6658 View CSV PDB
9.0 -0.2602 4.6658 View CSV PDB