Project name: R75P

Status: done

Started: 2026-03-24 01:19:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGEPCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:02)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9feab987b8fffd7/tmp/folded.pdb                (00:17:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:31:29)
Show buried residues

Minimal score value
-5.0409
Maximal score value
5.5453
Average score
-0.75
Total score value
-1740.8597

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 0.7173
2 G A -0.1619
3 P A -0.6678
4 G A -1.1055
5 A A -1.5593
6 R A -2.9544
7 G A -3.0461
8 R A -4.2709
9 R A -4.7577
10 R A -5.0409
11 R A -4.9615
12 R A -4.3399
13 R A -3.3929
14 P A -1.4655
15 M A -0.0800
16 S A -0.2528
17 P A -0.3466
18 P A -0.5008
19 P A -0.7008
20 P A -0.7076
21 P A -0.3912
22 P A -0.3725
23 P A -0.1145
24 V A 0.8625
25 R A -0.6572
26 A A 0.5423
27 L A 1.8107
28 P A 1.6870
29 L A 3.2439
30 L A 3.8574
31 L A 3.8272
32 L A 3.7078
33 L A 2.7559
34 A A 1.1425
35 G A -0.0598
36 P A -0.4491
37 G A -0.6636
38 A A -0.2857
39 A A -0.1347
40 A A 0.0003
41 P A -0.5580
42 P A -0.8064
43 C A -0.3643
44 L A 0.5380
45 D A -1.3334
46 G A -1.0796
47 S A -1.1496
48 P A -1.0890
49 C A 0.0000
50 A A -1.4266
51 N A -1.7775
52 G A -1.3173
53 G A 0.0000
54 R A -1.5367
55 C A -0.3444
56 T A -0.5954
57 Q A -1.3751
58 L A -0.8008
59 P A -1.0579
60 S A -1.6182
61 R A -2.8358
62 E A -2.7165
63 A A -1.6204
64 A A -0.8818
65 C A -0.4429
66 L A 0.6043
67 C A -0.1549
68 P A -0.2530
69 P A -0.4729
70 G A -1.0356
71 W A -1.1242
72 V A -0.8356
73 G A -0.8833
74 E A -1.6999
75 P A -1.3889
76 C A 0.0000
77 Q A -2.0374
78 L A -1.4334
79 E A -2.4540
80 D A -1.6975
81 P A -1.3801
82 C A -0.9851
83 H A -1.5478
84 S A -1.1502
85 G A -0.8677
86 P A -0.5855
87 C A -0.8178
88 A A -0.5726
89 G A -1.0356
90 R A -1.8718
91 G A -1.0969
92 V A 0.3554
93 C A -0.2900
94 Q A -0.8147
95 S A -0.5486
96 S A -0.1009
97 V A 0.6997
98 V A 1.5231
99 A A 0.5979
100 G A -0.2591
101 T A -0.2510
102 A A 0.0000
103 R A -1.4048
104 F A -0.7179
105 S A -0.7991
106 C A -0.9326
107 R A -1.7192
108 C A -1.0898
109 P A -1.2419
110 R A -2.0343
111 G A -0.5317
112 F A -0.2739
113 R A -0.6231
114 G A -0.5843
115 P A -0.7957
116 D A -0.8626
117 C A 0.0000
118 S A -0.2956
119 L A 0.4942
120 P A 0.0322
121 D A -0.4100
122 P A -0.0784
123 C A 0.0642
124 L A 0.1042
125 S A -0.0461
126 S A -0.3145
127 P A -0.4561
128 C A -1.1315
129 A A -1.6520
130 H A -1.7211
131 G A -1.2836
132 A A -1.5234
133 R A -1.8044
134 C A -0.3078
135 S A -0.1300
136 V A 0.0010
137 G A -0.6476
138 P A -1.2258
139 D A -2.2450
140 G A -1.5230
141 R A -1.7672
142 F A -0.4600
143 L A 0.1599
144 C A -0.5032
145 S A -0.8766
146 C A -1.2551
147 P A -0.7895
148 P A -0.5070
149 G A -0.8756
150 Y A -1.8349
151 Q A -2.3918
152 G A -2.4722
153 R A -2.3679
154 S A -1.8856
155 C A 0.0000
156 R A -2.9499
157 S A -2.3119
158 D A -1.9995
159 V A -1.2571
160 D A -1.1022
161 E A -1.5616
162 C A -1.5121
163 R A -1.7576
164 V A 0.0504
165 G A -1.1069
166 E A -2.3655
167 P A -1.5760
168 C A 0.0000
169 R A -2.7174
170 H A -2.1416
171 G A -1.6448
172 G A -1.7320
173 T A -1.2554
174 C A -1.4588
175 L A -0.7518
176 N A -1.2392
177 T A -0.8334
178 P A -0.9992
179 G A -1.1263
180 S A -0.8525
181 F A -0.9618
182 R A -1.8910
183 C A -1.5996
184 Q A -1.3728
185 C A -1.3005
186 P A -0.6002
187 A A 0.1873
188 G A 0.1528
189 Y A -0.6533
190 T A -0.8504
191 G A -1.0862
192 P A -1.1797
193 L A -1.5368
194 C A 0.0000
195 E A -2.2942
196 N A -1.9081
197 P A -0.6728
198 A A 0.3023
199 V A 1.1232
200 P A 0.0405
201 C A -0.1983
202 A A 0.2824
203 P A 0.0405
204 S A -0.6986
205 P A -1.2149
206 C A 0.0000
207 R A -3.0200
208 N A -2.0621
209 G A -1.2377
210 G A -1.6233
211 T A -1.2135
212 C A -1.8293
213 R A -2.8926
214 Q A -2.3609
215 S A -1.7368
216 G A -1.3873
217 D A -1.1527
218 L A 0.6458
219 T A -0.4971
220 Y A -1.5350
221 D A -2.7296
222 C A 0.0000
223 A A -0.9198
224 C A -0.8805
225 L A 0.0948
226 P A -0.0200
227 G A -0.4350
228 F A -1.0751
229 E A -2.2165
230 G A -1.9672
231 Q A -2.3651
232 N A -2.4014
233 C A 0.0000
234 E A -2.3902
235 V A -0.9047
236 N A -0.7321
237 V A -0.8410
238 D A -1.7645
239 D A -1.5815
240 C A -1.5006
241 P A -1.3186
242 G A -1.3179
243 H A -1.5765
244 R A -2.0892
245 C A 0.0000
246 L A 0.1191
247 N A -0.8507
248 G A -0.6075
249 G A -0.7942
250 T A -0.6181
251 C A -0.7273
252 V A -0.1880
253 D A -0.8746
254 G A -0.2299
255 V A 0.6965
256 N A -0.6968
257 T A -0.6745
258 Y A -1.2257
259 N A -1.7794
260 C A -1.2894
261 Q A -1.3722
262 C A -1.1721
263 P A -0.6762
264 P A -0.7564
265 E A -1.2472
266 W A -1.1409
267 T A -1.5161
268 G A -1.6749
269 Q A -1.9414
270 F A -1.3676
271 C A 0.0000
272 T A -1.2186
273 E A -2.0463
274 D A -1.2867
275 V A -0.8707
276 D A -0.8541
277 E A -1.0418
278 C A -0.7575
279 Q A -1.0735
280 L A -0.0137
281 Q A -1.4716
282 P A -1.4953
283 N A -2.1457
284 A A -1.4323
285 C A 0.0000
286 H A -2.1033
287 N A -1.6487
288 G A -1.0656
289 G A -0.2690
290 T A 0.3601
291 C A 0.3138
292 F A 1.4797
293 N A -0.0300
294 T A 0.4118
295 L A 0.7559
296 G A -0.4191
297 G A -0.2107
298 H A -0.3491
299 S A -0.0146
300 C A 0.2821
301 V A 1.2080
302 C A -0.0568
303 V A -0.0702
304 N A -0.2023
305 G A 0.0000
306 W A -0.5634
307 T A -0.9499
308 G A -1.4019
309 E A -2.1284
310 S A -1.6204
311 C A 0.0000
312 S A -1.6308
313 Q A -1.8741
314 N A -1.2009
315 I A -0.6830
316 D A -1.8947
317 D A -0.8537
318 C A -0.2960
319 A A -0.1973
320 T A 0.1357
321 A A 0.8637
322 V A 1.9413
323 C A 1.6366
324 F A 0.9918
325 H A -0.8043
326 G A -0.4785
327 A A 0.2505
328 T A 0.2440
329 C A 0.3685
330 H A -0.6373
331 D A -1.0090
332 R A -0.8586
333 V A 0.0698
334 A A 0.0663
335 S A -0.0769
336 F A 0.2780
337 Y A 1.2163
338 C A 1.3887
339 A A 0.6474
340 C A 0.6053
341 P A 0.2041
342 M A 0.8284
343 G A -0.1391
344 K A -0.8804
345 T A -0.6014
346 G A 0.3641
347 L A 2.1790
348 L A 1.7346
349 C A 0.0000
350 H A -0.2112
351 L A -1.1162
352 D A -2.3983
353 D A -1.6803
354 A A -1.3377
355 C A -0.5538
356 V A 0.4573
357 S A -0.3048
358 N A -1.1436
359 P A -1.0490
360 C A -1.2653
361 H A -2.2007
362 E A -2.8639
363 D A -2.3939
364 A A -0.8393
365 I A 1.0153
366 C A -0.1340
367 D A -1.2202
368 T A 0.0000
369 N A -0.9934
370 P A -0.3148
371 V A 0.7518
372 N A -1.3421
373 G A -1.9306
374 R A -2.3708
375 A A 0.0000
376 I A 0.2999
377 C A -0.0575
378 T A 0.4316
379 C A -0.2833
380 P A -0.3752
381 P A -0.3179
382 G A -0.7764
383 F A -1.5075
384 T A -1.1888
385 G A -1.3633
386 G A -0.8690
387 A A -1.2303
388 C A 0.0000
389 D A -3.1480
390 Q A -2.6468
391 D A -2.1385
392 V A -0.9120
393 D A -0.8669
394 E A -0.2220
395 C A -0.1702
396 S A 0.1614
397 I A 1.3191
398 G A 0.0669
399 A A -0.5517
400 N A -1.6062
401 P A -1.1851
402 C A 0.0000
403 E A -2.7853
404 H A -1.6480
405 L A 0.0132
406 G A 0.0000
407 R A -2.2242
408 C A 0.0000
409 V A 0.0938
410 N A -0.4672
411 T A -0.4645
412 Q A -1.7462
413 G A -1.4944
414 S A -0.2994
415 F A 0.3354
416 L A 0.5953
417 C A 0.0000
418 Q A -1.6059
419 C A -1.7674
420 G A -1.3886
421 R A -1.9418
422 G A 0.0000
423 Y A -1.2631
424 T A -1.5466
425 G A -1.4916
426 P A -1.3176
427 R A -2.9406
428 C A 0.0000
429 E A -2.5573
430 T A -1.6644
431 D A -1.6246
432 V A -0.7091
433 N A -0.8717
434 E A -0.6888
435 C A -0.1920
436 L A 0.9642
437 S A 0.1603
438 G A -0.5219
439 P A -0.3021
440 C A -0.5797
441 R A -2.3146
442 N A -1.8520
443 Q A -1.7248
444 A A -0.3271
445 T A 0.2460
446 C A 0.1970
447 L A -0.2566
448 D A -1.6993
449 R A -1.9154
450 I A -0.3117
451 G A -1.2782
452 Q A -1.6473
453 F A -0.5897
454 T A 0.1403
455 C A 0.9187
456 I A 2.3800
457 C A 1.0526
458 M A 0.4209
459 A A 0.4302
460 G A -0.6408
461 F A -0.1803
462 T A 0.1927
463 G A 0.0323
464 T A 0.3316
465 Y A 0.3430
466 C A 0.0000
467 E A -1.0641
468 V A -0.2877
469 D A -1.8217
470 I A -1.4525
471 D A -3.1069
472 E A -2.9408
473 C A -2.1654
474 Q A -2.2252
475 S A -1.3302
476 S A -0.5113
477 P A -0.1567
478 C A 0.2916
479 V A 0.5496
480 N A -0.7246
481 G A -0.2484
482 G A 0.3790
483 V A 1.2513
484 C A -0.5105
485 K A -2.1933
486 D A -3.5636
487 R A -2.8771
488 V A -0.6269
489 N A -1.4927
490 G A -1.4777
491 F A -1.5817
492 S A -0.7773
493 C A 0.2010
494 T A 0.3779
495 C A 0.3603
496 P A -0.2956
497 S A -0.9120
498 G A -1.6648
499 F A -0.9741
500 S A -0.5922
501 G A -0.5430
502 S A -0.2520
503 T A 0.0373
504 C A 0.0000
505 Q A -0.9812
506 L A -0.3272
507 D A -2.4226
508 V A -1.6991
509 D A -2.6994
510 E A -2.2805
511 C A -1.5139
512 A A -0.8437
513 S A -0.5721
514 T A -0.7888
515 P A -0.6797
516 C A 0.0000
517 R A -3.1026
518 N A -2.8021
519 G A -2.2630
520 A A -2.7956
521 K A -2.9454
522 C A -2.0391
523 V A -1.9632
524 D A -3.3546
525 Q A -3.1077
526 P A -2.6012
527 D A -2.8836
528 G A -2.1497
529 Y A -2.0404
530 E A -2.4171
531 C A -2.3232
532 R A -3.0175
533 C A -2.8256
534 A A -1.8966
535 E A -1.7692
536 G A -1.0707
537 F A -2.3302
538 E A -3.1063
539 G A -2.0792
540 T A -1.4361
541 L A -1.7540
542 C A 0.0000
543 D A -3.6144
544 R A -3.6895
545 N A -2.3234
546 V A -1.6323
547 D A -2.3298
548 D A -1.5297
549 C A -1.7641
550 S A -1.6836
551 P A -1.5952
552 D A -2.7433
553 P A -1.9330
554 C A 0.0000
555 H A -2.4637
556 H A -1.9182
557 G A -1.8076
558 R A -2.2382
559 C A -1.2658
560 V A -0.1464
561 D A -0.9904
562 G A 0.2749
563 I A 1.1664
564 A A -0.0041
565 S A 0.0869
566 F A -0.0486
567 S A -0.2737
568 C A -1.0743
569 A A -0.5211
570 C A -0.8699
571 A A -0.5927
572 P A -0.4286
573 G A -0.7990
574 Y A -0.9377
575 T A -0.8940
576 G A -1.1510
577 T A -0.9791
578 R A -2.2715
579 C A 0.0000
580 E A -2.3097
581 S A -1.6504
582 Q A -1.5037
583 V A -1.4711
584 D A -2.4915
585 E A -2.3939
586 C A -2.3046
587 R A -2.9642
588 S A -1.9430
589 Q A -2.6800
590 P A -1.4384
591 C A -1.7459
592 R A -2.7926
593 H A -1.7433
594 G A -2.0159
595 G A -2.1994
596 K A -2.7542
597 C A 0.0000
598 L A -0.7831
599 D A -1.7935
600 L A -0.2824
601 V A 0.0478
602 D A -1.9810
603 K A -1.5935
604 Y A -0.2539
605 L A 0.6625
606 C A -0.8759
607 R A -1.9939
608 C A -1.1857
609 P A -1.2200
610 S A -0.4856
611 G A -0.7039
612 T A -0.5673
613 T A 0.1333
614 G A 0.2521
615 V A 1.4197
616 N A -0.4261
617 C A 0.0000
618 E A -0.5097
619 V A 0.5992
620 N A -0.7202
621 I A 0.0497
622 D A -2.1452
623 D A -2.8716
624 C A -2.0357
625 A A -1.0628
626 S A -1.2288
627 N A -1.4601
628 P A -0.5065
629 C A 0.1406
630 T A 0.4435
631 F A 1.2761
632 G A 0.7006
633 V A 0.8779
634 C A 0.0000
635 R A -2.5145
636 D A -2.6018
637 G A -2.1034
638 I A -1.0115
639 N A -2.2151
640 R A -3.0900
641 Y A -2.4854
642 D A -1.7589
643 C A 0.0414
644 V A 1.2264
645 C A 0.7154
646 Q A -0.9754
647 P A -1.3927
648 G A -1.7974
649 F A -0.4542
650 T A 0.2241
651 G A 0.3418
652 P A -0.0644
653 L A 0.7311
654 C A 0.0000
655 N A -0.3138
656 V A 0.6094
657 E A -1.4340
658 I A -0.9425
659 N A -1.7410
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1995 F A 0.1640
1996 A A 0.0000
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1998 R A -1.5194
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2000 I A -1.4679
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2016 L A -0.8101
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2244 Y A 1.6802
2245 L A 2.0411
2246 T A 0.8221
2247 P A 0.0165
2248 S A -0.8662
2249 P A -1.3676
2250 E A -2.1648
2251 S A -1.7615
2252 P A -1.8793
2253 E A -2.2939
2254 H A -1.4933
2255 W A 0.2993
2256 A A 0.3153
2257 S A -0.0760
2258 P A -0.5389
2259 S A -0.5817
2260 P A -0.6047
2261 P A -0.2149
2262 S A 0.2666
2263 L A 0.8693
2264 S A -0.3075
2265 D A -1.0647
2266 W A -0.2373
2267 S A -0.8935
2268 E A -1.8035
2269 S A -1.3898
2270 T A -0.7563
2271 P A -0.4988
2272 S A -0.4711
2273 P A -0.4047
2274 A A -0.1421
2275 T A -0.0788
2276 A A -0.0986
2277 T A -0.3034
2278 G A -0.2519
2279 A A 0.3356
2280 M A 1.0049
2281 A A 0.6058
2282 T A 0.1375
2283 T A -0.2292
2284 T A -0.1655
2285 G A -0.1906
2286 A A 0.5106
2287 L A 1.2278
2288 P A 0.1647
2289 A A -0.0291
2290 Q A -0.7709
2291 P A 0.0522
2292 L A 1.4192
2293 P A 1.2008
2294 L A 2.2680
2295 S A 1.4309
2296 V A 1.9049
2297 P A 0.7890
2298 S A 0.4625
2299 S A 0.4574
2300 L A 1.1011
2301 A A -0.0114
2302 Q A -1.2185
2303 A A -1.0214
2304 Q A -1.8814
2305 T A -1.1982
2306 Q A -0.8589
2307 L A 0.4982
2308 G A -0.2767
2309 P A -1.0001
2310 Q A -1.5432
2311 P A -1.2530
2312 E A -1.4110
2313 V A 0.3400
2314 T A -0.5556
2315 P A -1.4569
2316 K A -2.6784
2317 R A -2.6462
2318 Q A -1.3318
2319 V A 1.2518
2320 L A 1.8432
2321 A A 1.1293
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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 -0.0408 7.5935 View CSV PDB
4.5 -0.1254 7.5195 View CSV PDB
5.0 -0.227 7.4183 View CSV PDB
5.5 -0.3315 7.307 View CSV PDB
6.0 -0.4271 7.2026 View CSV PDB
6.5 -0.5061 7.1227 View CSV PDB
7.0 -0.5686 7.0769 View CSV PDB
7.5 -0.6198 7.0571 View CSV PDB
8.0 -0.6629 7.0501 View CSV PDB
8.5 -0.6961 7.0478 View CSV PDB
9.0 -0.7156 7.047 View CSV PDB