Project name: C977S_var296_4D_S_pH

Status: done

Started: 2026-05-04 08:02:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVSSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:08)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/64b7eb81dc92625/tmp/folded.pdb                (00:18:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:32:42)
Show buried residues

Minimal score value
-4.672
Maximal score value
5.523
Average score
-0.7678
Total score value
-1782.124

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 0.7136
2 G A -0.1936
3 P A -0.6333
4 G A -0.9688
5 A A -1.3451
6 R A -2.5545
7 G A -2.7245
8 R A -3.7699
9 R A -4.2834
10 R A -4.5580
11 R A -4.5504
12 R A -4.1975
13 R A -2.9993
14 P A -1.0873
15 M A 0.3605
16 S A 0.0734
17 P A -0.2943
18 P A -0.6177
19 P A -0.6382
20 P A -0.6492
21 P A -0.4500
22 P A -0.4023
23 P A 0.0385
24 V A 0.8660
25 R A -0.6548
26 A A 0.5092
27 L A 1.7825
28 P A 1.6510
29 L A 3.2722
30 L A 3.8836
31 L A 3.9818
32 L A 3.6707
33 L A 2.8560
34 A A 1.1368
35 G A 0.0204
36 P A -0.4620
37 G A -0.6486
38 A A -0.2908
39 A A -0.0892
40 A A -0.2913
41 P A -0.7916
42 P A -0.9187
43 C A -0.7476
44 L A 0.2077
45 D A -1.3132
46 G A -0.9017
47 S A -0.6621
48 P A -0.8389
49 C A -1.1229
50 A A -1.2117
51 N A -1.6292
52 G A -1.2340
53 G A -1.1606
54 R A -1.5214
55 C A -0.0115
56 T A -0.8275
57 Q A -1.8446
58 L A -1.2525
59 P A -1.3818
60 S A -1.8471
61 R A -3.0991
62 E A -2.8304
63 A A 0.0000
64 A A -0.9785
65 C A 0.0000
66 L A 0.2914
67 C A -0.3760
68 P A -0.3052
69 P A -0.4825
70 G A -0.9809
71 W A -0.8015
72 V A -0.8094
73 G A -0.9118
74 E A -1.9407
75 R A -1.6512
76 C A 0.0000
77 Q A -1.5320
78 L A -1.3985
79 E A -2.2298
80 D A -1.6173
81 P A -1.3930
82 C A -1.0284
83 H A -1.6357
84 S A -1.1418
85 G A -0.8541
86 P A -0.5856
87 C A -0.7998
88 A A -0.5438
89 G A -1.0533
90 R A -1.8632
91 G A -1.1027
92 V A 0.3977
93 C A -0.3909
94 Q A -1.1017
95 S A -0.6575
96 S A -0.1805
97 V A 0.5739
98 V A 1.5326
99 A A 0.6104
100 G A -0.2283
101 T A -0.1234
102 A A 0.0000
103 R A -1.2982
104 F A -0.7143
105 S A -0.9390
106 C A -1.0132
107 R A -1.7603
108 C A -1.1162
109 P A -1.2798
110 R A -1.8396
111 G A 0.0000
112 F A -0.0735
113 R A -0.5189
114 G A -0.5189
115 P A -0.7281
116 D A -0.7340
117 C A 0.0000
118 S A -0.0672
119 L A 0.4823
120 P A 0.2412
121 D A 0.0442
122 P A 0.2387
123 C A 0.4811
124 L A 1.0051
125 S A 0.3829
126 S A -0.0524
127 P A -0.3426
128 C A -1.1801
129 A A -1.6698
130 H A -1.7512
131 G A -1.2873
132 A A -1.5791
133 R A -1.8500
134 C A -0.2123
135 S A -0.1332
136 V A 0.0136
137 G A -0.6483
138 P A -1.2252
139 D A -2.2560
140 G A -1.5460
141 R A -1.8896
142 F A -0.5408
143 L A 0.0201
144 C A -0.7782
145 S A -0.9623
146 C A -1.3733
147 P A -0.8536
148 P A -0.5248
149 G A -0.9105
150 Y A -1.9173
151 Q A -2.4607
152 G A -2.5005
153 R A -2.4117
154 S A -1.9336
155 C A 0.0000
156 R A -2.9749
157 S A -2.3404
158 D A -2.0099
159 V A -1.1745
160 D A -1.1091
161 E A -1.3985
162 C A -1.3925
163 R A -1.6624
164 V A 0.1494
165 G A -1.0038
166 E A -2.3870
167 P A -1.7799
168 C A 0.0000
169 R A -3.0183
170 H A -2.1204
171 G A -1.7279
172 G A -1.7437
173 T A -1.2755
174 C A -1.4283
175 L A -0.6395
176 N A -1.1502
177 T A -0.7947
178 P A -0.9849
179 G A -1.1196
180 S A -0.8281
181 F A -0.9425
182 R A -1.8623
183 C A -1.6429
184 Q A -1.5453
185 C A -1.2749
186 P A -0.6429
187 A A 0.0149
188 G A 0.1159
189 Y A -0.3745
190 T A -0.6464
191 G A -0.9511
192 P A -1.1058
193 L A -1.4051
194 C A 0.0000
195 E A -1.7096
196 N A -1.4993
197 P A -0.2975
198 A A 0.4586
199 V A 1.2768
200 P A 0.0168
201 C A -0.1917
202 A A 0.3489
203 P A 0.0590
204 S A -0.6517
205 P A -1.1124
206 C A -2.0723
207 R A -2.7897
208 N A -1.8932
209 G A -1.2956
210 G A -1.4980
211 T A -1.1738
212 C A -1.8194
213 R A -2.9287
214 Q A -2.4297
215 S A -1.8525
216 G A -1.3581
217 D A -1.2855
218 L A 0.3475
219 T A -0.7104
220 Y A -1.6900
221 D A -2.8421
222 C A -2.2324
223 A A -0.9149
224 C A -0.8174
225 L A 0.0838
226 P A -0.0695
227 G A -0.5240
228 F A -1.0631
229 E A -2.2313
230 G A -1.9842
231 Q A -2.3079
232 N A -2.1546
233 C A 0.0000
234 E A -1.8869
235 V A -0.7011
236 N A -0.7072
237 V A -0.9762
238 D A -1.8698
239 D A -1.6436
240 C A -1.4380
241 P A -1.3287
242 G A -1.3122
243 H A -1.6060
244 R A -2.1123
245 C A 0.0000
246 L A 0.0550
247 N A -0.8657
248 G A -0.6142
249 G A -0.8264
250 T A -0.6556
251 C A -0.8422
252 V A -0.4083
253 D A -0.9951
254 G A -0.2983
255 V A 0.6586
256 N A -0.7681
257 T A -0.7292
258 Y A -1.2927
259 N A -1.8340
260 C A -1.3456
261 Q A -1.4104
262 C A -1.1118
263 P A -0.6517
264 P A -0.7410
265 E A -1.3744
266 W A -1.2414
267 T A -1.4038
268 G A -1.5324
269 Q A -1.8843
270 F A -1.3603
271 C A 0.0000
272 T A -1.1934
273 E A -2.1346
274 D A -1.5446
275 V A -1.2856
276 D A -1.7047
277 E A -1.3955
278 C A -0.9730
279 Q A -1.3161
280 L A -0.2203
281 Q A -1.5810
282 P A -1.5000
283 N A -2.1628
284 A A -1.3362
285 C A 0.0000
286 H A -2.1346
287 N A -1.6150
288 G A -0.9442
289 G A -0.1643
290 T A 0.7071
291 C A 0.4017
292 F A 1.5479
293 N A -0.1570
294 T A 0.3407
295 L A 0.6544
296 G A -0.5087
297 G A -0.2960
298 H A -0.3767
299 S A 0.2106
300 C A 0.6783
301 V A 1.9338
302 C A 0.3781
303 V A 0.5061
304 N A -0.5484
305 G A 0.0000
306 W A -0.5478
307 T A -0.9218
308 G A -1.3516
309 E A -2.0502
310 S A -1.5475
311 C A 0.0000
312 S A -1.6644
313 Q A -1.8476
314 N A -1.3651
315 I A -0.8730
316 D A -2.0275
317 D A -0.9901
318 C A -0.4075
319 A A -0.2635
320 T A 0.0211
321 A A 0.8687
322 V A 2.0004
323 C A 1.6998
324 F A 1.0434
325 H A -0.6083
326 G A -0.4400
327 A A 0.2551
328 T A 0.2950
329 C A 0.5251
330 H A -0.7380
331 D A -1.2957
332 R A -1.5147
333 V A -0.3418
334 A A -0.4983
335 S A -0.5686
336 F A 0.2230
337 Y A 1.1412
338 C A 0.0000
339 A A 0.6316
340 C A 0.5425
341 P A 0.1308
342 M A 0.7918
343 G A -0.0629
344 K A -1.0395
345 T A -0.6829
346 G A 0.3837
347 L A 2.2704
348 L A 1.7940
349 C A 0.0000
350 H A -0.0336
351 L A -1.1051
352 D A -2.1180
353 D A -1.4143
354 A A -1.1907
355 C A -0.3911
356 V A 0.8096
357 S A -0.0133
358 N A -1.1178
359 P A -1.0932
360 C A -1.4104
361 H A -2.2479
362 E A -2.9265
363 D A -2.4297
364 A A -0.9864
365 I A 0.8442
366 C A -0.1744
367 D A -1.4077
368 T A 0.0000
369 N A 0.0000
370 P A -0.2460
371 V A 0.4330
372 N A -1.2146
373 G A -1.8797
374 R A -2.2942
375 A A 0.0000
376 I A -0.5589
377 C A 0.0000
378 T A 0.1214
379 C A -0.4247
380 P A 0.0000
381 P A -0.5119
382 G A -1.0893
383 F A -1.3184
384 T A -1.1966
385 G A -1.3935
386 G A -1.3025
387 A A -1.1662
388 C A 0.0000
389 D A -2.8014
390 Q A -2.2663
391 D A -1.8893
392 V A -1.0606
393 D A -1.4343
394 E A -1.0032
395 C A -0.5338
396 S A -0.1101
397 I A 0.9900
398 G A 0.0910
399 A A -0.5576
400 N A -1.6106
401 P A -1.2027
402 C A 0.0000
403 E A -2.4780
404 H A -1.4642
405 L A -0.1895
406 G A 0.0000
407 R A -2.2293
408 C A 0.0000
409 V A -0.1175
410 N A -0.7275
411 T A -0.6350
412 Q A -1.6012
413 G A -1.3935
414 S A -0.5805
415 F A -0.0282
416 L A 0.4105
417 C A 0.0000
418 Q A -1.6027
419 C A -1.5877
420 G A -1.4034
421 R A -1.9727
422 G A 0.0000
423 Y A -0.9739
424 T A -1.4800
425 G A -1.3347
426 P A -1.2933
427 R A -2.3649
428 C A 0.0000
429 E A -1.5773
430 T A -1.2956
431 D A -1.2188
432 V A -0.5113
433 N A -0.6626
434 E A -0.5216
435 C A 0.0081
436 L A 0.9975
437 S A 0.1361
438 G A -0.4525
439 P A -0.3117
440 C A -0.9361
441 R A -2.2734
442 N A -1.9553
443 Q A -1.7965
444 A A -0.6811
445 T A -0.0846
446 C A 0.0777
447 L A -0.6909
448 D A -1.3182
449 R A -1.2554
450 I A -0.1562
451 G A 0.0000
452 Q A -1.3977
453 F A -0.3782
454 T A 0.0915
455 C A 0.4770
456 I A 1.1573
457 C A 0.5415
458 M A 0.1331
459 A A 0.2789
460 G A -0.7667
461 F A -0.2538
462 T A -0.0618
463 G A -0.0567
464 T A 0.1892
465 Y A 0.1378
466 C A 0.0000
467 E A -1.0227
468 V A -0.2837
469 D A -1.7768
470 I A -1.2518
471 D A -3.0492
472 E A -2.9863
473 C A -2.1896
474 Q A -2.2107
475 S A -1.3420
476 S A -0.6695
477 P A -0.0856
478 C A 0.2690
479 V A 0.5107
480 N A -0.7499
481 G A -0.2683
482 G A 0.3466
483 V A 1.2116
484 C A -0.5908
485 K A -2.3292
486 D A -3.6359
487 R A -2.9021
488 V A -0.6309
489 N A -1.4826
490 G A -1.4937
491 F A -1.6769
492 S A -0.8991
493 C A 0.0265
494 T A 0.3489
495 C A 0.3645
496 P A -0.3658
497 S A -1.1115
498 G A -2.0115
499 F A -1.1743
500 S A -0.6317
501 G A -0.5191
502 S A -0.2325
503 T A 0.0431
504 C A 0.0000
505 Q A -0.9817
506 L A -0.3418
507 D A -2.4840
508 V A -1.9503
509 D A -2.9116
510 E A -2.7399
511 C A -1.7516
512 A A -1.0076
513 S A -0.6940
514 T A -0.9464
515 P A -1.1251
516 C A 0.0000
517 R A -3.2221
518 N A -2.8573
519 G A -2.3237
520 A A -2.9470
521 K A -2.9864
522 C A -2.3885
523 V A -2.0745
524 D A -3.3840
525 Q A -2.8089
526 P A -2.4981
527 D A -2.8785
528 G A -2.2220
529 Y A -2.2448
530 E A -2.6728
531 C A -2.7011
532 R A -3.1879
533 C A -3.0642
534 A A -2.0398
535 E A -1.9039
536 G A 0.0000
537 F A -2.4692
538 E A -3.3597
539 G A -2.1112
540 T A -1.5354
541 L A -2.0375
542 C A 0.0000
543 D A -3.5764
544 R A -3.5295
545 N A -2.3216
546 V A -1.5715
547 D A -2.3164
548 D A -1.5305
549 C A -1.8473
550 S A -1.6402
551 P A -1.6000
552 D A -2.7903
553 P A -1.9888
554 C A 0.0000
555 H A -2.6401
556 H A -2.1228
557 G A -1.9736
558 R A -2.3291
559 C A -1.6858
560 V A -0.5540
561 D A -0.9984
562 G A 0.2878
563 I A 0.9418
564 A A 0.0500
565 S A 0.0050
566 F A -0.2846
567 S A -0.4603
568 C A -1.2798
569 A A -0.5965
570 C A -1.1960
571 A A -0.9450
572 P A -0.7034
573 G A 0.0000
574 Y A -1.1992
575 T A -1.1941
576 G A -1.3590
577 T A -1.0885
578 R A -2.4583
579 C A 0.0000
580 E A -2.8269
581 S A -1.9439
582 Q A -1.4847
583 V A -1.4108
584 D A -2.5214
585 E A -2.2143
586 C A -2.2937
587 R A -2.9462
588 S A -1.9214
589 Q A -2.6000
590 P A -1.4667
591 C A -1.7763
592 R A -2.7707
593 H A -1.8348
594 G A -2.1532
595 G A -2.2791
596 K A -2.7899
597 C A -1.7442
598 L A -0.9809
599 D A -1.7359
600 L A -0.0017
601 V A 0.1510
602 D A -1.9866
603 K A -1.7494
604 Y A -0.5683
605 L A 0.4088
606 C A -1.0063
607 R A -2.0735
608 C A -1.3047
609 P A -1.2956
610 S A -0.5295
611 G A -0.7617
612 T A 0.0000
613 T A 0.1193
614 G A 0.4538
615 V A 1.4312
616 N A -0.4469
617 C A 0.0000
618 E A -0.6000
619 V A 0.5971
620 N A -0.7645
621 I A -0.2962
622 D A -2.2950
623 D A -2.7033
624 C A 0.0000
625 A A -1.0761
626 S A -1.2026
627 N A -1.3370
628 P A -0.6118
629 C A -0.1492
630 T A 0.1819
631 F A 0.6767
632 G A 0.2587
633 V A 0.6030
634 C A -0.8081
635 R A -2.5522
636 D A -2.6018
637 G A -1.9606
638 I A -0.7292
639 N A -2.1121
640 R A -3.0574
641 Y A -2.5571
642 D A -2.1061
643 C A -0.4657
644 V A 0.5982
645 C A 0.2283
646 Q A -1.2423
647 P A -1.3667
648 G A -2.0322
649 F A -0.9141
650 T A 0.0064
651 G A 0.1407
652 P A -0.1343
653 L A 0.5520
654 C A 0.0000
655 N A -0.6616
656 V A 0.0316
657 E A -2.0363
658 I A -1.2840
659 N A -2.0725
660 E A -2.2766
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2245 L A 1.8365
2246 T A 0.8563
2247 P A -0.1080
2248 S A -0.8186
2249 P A -1.4374
2250 E A -2.5369
2251 S A -1.9998
2252 P A -1.8753
2253 E A -2.5019
2254 H A -1.4154
2255 W A 0.1507
2256 A A -0.1218
2257 S A 0.1200
2258 P A 0.0659
2259 S A -0.0160
2260 P A -0.3333
2261 P A -0.8133
2262 S A -0.5277
2263 L A 0.0617
2264 S A -0.2663
2265 D A -1.3626
2266 W A -0.2113
2267 S A -0.8650
2268 E A -1.9887
2269 S A -0.8915
2270 T A -0.8180
2271 P A -0.7470
2272 S A -0.4926
2273 P A -0.4102
2274 A A -0.1791
2275 T A -0.1765
2276 A A -0.1362
2277 T A -0.1543
2278 G A -0.2050
2279 A A 0.3349
2280 M A 0.9645
2281 A A 0.4649
2282 T A 0.1333
2283 T A -0.3074
2284 T A -0.3707
2285 G A -0.5364
2286 A A 0.5171
2287 L A 1.2184
2288 P A 0.1394
2289 A A -0.0752
2290 Q A -0.7719
2291 P A 0.0237
2292 L A 1.3908
2293 P A 1.1863
2294 L A 2.1775
2295 S A 1.4544
2296 V A 1.8516
2297 P A 0.5733
2298 S A 0.3558
2299 S A 0.4628
2300 L A 1.1458
2301 A A 0.1532
2302 Q A -1.0804
2303 A A -1.2159
2304 Q A -1.5799
2305 T A -0.8837
2306 Q A -0.8881
2307 L A 0.3954
2308 G A -0.4807
2309 P A -0.9606
2310 Q A -1.5302
2311 P A -1.4128
2312 E A -1.3399
2313 V A 0.3641
2314 T A -0.4477
2315 P A -1.3613
2316 K A -2.9185
2317 R A -3.0325
2318 Q A -1.2953
2319 V A 1.5858
2320 L A 2.2014
2321 A A 1.0812
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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 -0.0864 6.8866 View CSV PDB
4.5 -0.1711 6.8137 View CSV PDB
5.0 -0.2736 6.7613 View CSV PDB
5.5 -0.3795 6.7613 View CSV PDB
6.0 -0.4762 6.7613 View CSV PDB
6.5 -0.5558 6.7613 View CSV PDB
7.0 -0.6179 6.7613 View CSV PDB
7.5 -0.668 6.7613 View CSV PDB
8.0 -0.7098 6.7613 View CSV PDB
8.5 -0.7418 6.7613 View CSV PDB
9.0 -0.7605 6.7613 View CSV PDB