Project name: R110C

Status: done

Started: 2026-05-07 02:43:37
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPCGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:39)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:39)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:55)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/adc79beab2ea551/tmp/folded.pdb                (00:33:55)
[INFO]       Main:     Simulation completed successfully.                                          (01:11:21)
Show buried residues

Minimal score value
-4.5868
Maximal score value
5.4017
Average score
-0.7564
Total score value
-1755.5821

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 0.7159
2 G A -0.1894
3 P A -0.4522
4 G A -0.9526
5 A A -1.3207
6 R A -2.5167
7 G A -2.6788
8 R A -3.8092
9 R A -4.4896
10 R A -4.5252
11 R A -4.5868
12 R A -4.4270
13 R A -3.0562
14 P A -1.0952
15 M A 0.3179
16 S A 0.0792
17 P A -0.3181
18 P A -0.6113
19 P A -0.6231
20 P A -0.6192
21 P A -0.6150
22 P A -0.1654
23 P A 0.0187
24 V A 0.7090
25 R A -0.6487
26 A A 0.2645
27 L A 1.3301
28 P A 1.8629
29 L A 3.0640
30 L A 3.3650
31 L A 3.8546
32 L A 3.6362
33 L A 2.5219
34 A A 1.0237
35 G A -0.0820
36 P A -0.4895
37 G A -0.6644
38 A A -0.2813
39 A A -0.6900
40 A A -0.8373
41 P A -0.5835
42 P A -0.9942
43 C A -0.6291
44 L A 0.3720
45 D A -1.3063
46 G A -0.9302
47 S A -1.0054
48 P A -0.8129
49 C A -1.0969
50 A A -1.2044
51 N A -1.5932
52 G A -1.2069
53 G A 0.0000
54 R A -1.6213
55 C A 0.0000
56 T A -0.9251
57 Q A -1.8581
58 L A -1.1026
59 P A -1.1816
60 S A -1.6239
61 R A -2.8579
62 E A -2.5898
63 A A 0.0000
64 A A -1.0988
65 C A -0.6292
66 L A 0.7086
67 C A -0.0154
68 P A -0.1784
69 P A -0.4200
70 G A -0.9733
71 W A -0.7290
72 V A -0.7275
73 G A -0.8001
74 E A -1.7628
75 R A -1.4473
76 C A 0.0000
77 Q A -1.5738
78 L A -1.4575
79 E A -2.3100
80 D A -1.6013
81 P A -1.3515
82 C A -0.9217
83 H A -1.5704
84 S A -1.1296
85 G A -0.7009
86 P A -0.4628
87 C A -0.7925
88 A A -0.5287
89 G A -1.0877
90 R A -1.5863
91 G A -0.7259
92 V A 0.4230
93 C A -0.1794
94 Q A -0.6135
95 S A -0.4351
96 S A -0.0742
97 V A 0.5482
98 V A 1.5202
99 A A 0.6042
100 G A -0.2541
101 T A -0.1765
102 A A 0.0000
103 R A -1.3834
104 F A -0.8123
105 S A -0.8316
106 C A -0.9067
107 R A -1.3447
108 C A -0.4324
109 P A 0.0431
110 C A 0.8114
111 G A 1.2297
112 F A 1.0594
113 R A 0.1020
114 G A -0.4706
115 P A -0.8549
116 D A -0.8368
117 C A 0.0000
118 S A 0.0107
119 L A 0.6949
120 P A 0.7184
121 D A 0.4585
122 P A 0.1934
123 C A 0.5002
124 L A 1.5789
125 S A 0.4360
126 S A 0.0228
127 P A -0.3075
128 C A -1.1721
129 A A -1.5051
130 H A -1.7695
131 G A -1.3250
132 A A 0.0000
133 R A -1.8817
134 C A -0.2409
135 S A -0.2647
136 V A -0.0716
137 G A 0.0000
138 P A -1.0912
139 D A -1.9570
140 G A -1.4911
141 R A -1.9705
142 F A -0.6098
143 L A -0.1844
144 C A -0.8395
145 S A -0.9719
146 C A -1.3225
147 P A -0.8321
148 P A -0.5712
149 G A -0.8644
150 Y A -1.7433
151 Q A -2.3365
152 G A -2.3635
153 R A -2.2523
154 S A -1.8519
155 C A 0.0000
156 R A -2.8727
157 S A -2.1820
158 D A -1.8660
159 V A -1.1262
160 D A -1.1226
161 E A -1.4636
162 C A -1.4178
163 R A -1.6790
164 V A 0.1425
165 G A -1.0050
166 E A -2.3877
167 P A -1.6924
168 C A 0.0000
169 R A -3.0015
170 H A -2.0936
171 G A -1.7230
172 G A -1.7439
173 T A -1.2975
174 C A -1.4664
175 L A -0.7307
176 N A -1.2081
177 T A -0.8107
178 P A -0.9399
179 G A -1.0699
180 S A -0.8312
181 F A -0.9828
182 R A -1.8948
183 C A -1.6561
184 Q A -1.5554
185 C A -1.2320
186 P A -0.6374
187 A A 0.0187
188 G A 0.1461
189 Y A -0.3810
190 T A -0.6710
191 G A -0.9353
192 P A -1.0867
193 L A -1.3839
194 C A 0.0000
195 E A -1.6781
196 N A -1.5066
197 P A -0.3462
198 A A 0.4113
199 V A 1.1724
200 P A 0.0000
201 C A -0.1808
202 A A 0.3192
203 P A 0.0472
204 S A -0.6575
205 P A -0.9824
206 C A 0.0000
207 R A -2.8657
208 N A -1.9192
209 G A -1.3209
210 G A -1.5578
211 T A -1.2067
212 C A -1.8218
213 R A -2.8948
214 Q A -2.3564
215 S A -1.7709
216 G A -1.4724
217 D A -1.2458
218 L A 0.4729
219 T A -0.6116
220 Y A -1.5930
221 D A -2.8352
222 C A 0.0000
223 A A -0.9415
224 C A -0.8793
225 L A 0.1199
226 P A 0.0090
227 G A 0.0000
228 F A -0.9848
229 E A -2.2001
230 G A -2.0095
231 Q A -2.3553
232 N A -2.2373
233 C A 0.0000
234 E A -2.0077
235 V A -0.7569
236 N A -0.6356
237 V A -0.8320
238 D A -1.8809
239 D A -1.8659
240 C A -1.5085
241 P A -1.3929
242 G A -1.3489
243 H A -1.6110
244 R A -2.0012
245 C A -0.9750
246 L A 0.0620
247 N A -0.6602
248 G A -0.6085
249 G A -0.7973
250 T A -0.6227
251 C A -0.7942
252 V A -0.2816
253 D A -0.9311
254 G A -0.2534
255 V A 0.6786
256 N A -0.8020
257 T A -0.7535
258 Y A -1.3272
259 N A -1.7754
260 C A -1.3038
261 Q A -1.3865
262 C A -1.1555
263 P A -0.6587
264 P A -0.7017
265 E A -1.2803
266 W A -1.1938
267 T A -1.4299
268 G A -1.5188
269 Q A -1.9402
270 F A -1.3998
271 C A 0.0000
272 T A -1.2104
273 E A -2.1129
274 D A -1.3892
275 V A -1.1798
276 D A -1.5839
277 E A -1.1406
278 C A -0.9559
279 Q A -1.2920
280 L A -0.1867
281 Q A -1.5561
282 P A -1.4942
283 N A -2.1577
284 A A -1.3324
285 C A 0.0000
286 H A -2.1405
287 N A -1.6550
288 G A -0.9758
289 G A -0.1835
290 T A 0.6950
291 C A 0.4015
292 F A 1.5538
293 N A -0.1339
294 T A 0.3623
295 L A 0.6843
296 G A -0.4473
297 G A -0.2703
298 H A -0.4325
299 S A 0.1873
300 C A 0.6818
301 V A 1.9508
302 C A 0.3840
303 V A 0.6170
304 N A -0.3370
305 G A 0.0000
306 W A -0.4840
307 T A -0.8939
308 G A -1.2907
309 E A -2.0292
310 S A -1.5418
311 C A 0.0000
312 S A -1.6644
313 Q A -1.8153
314 N A -1.3015
315 I A -0.7999
316 D A -1.9629
317 D A -0.8974
318 C A -0.3781
319 A A -0.2423
320 T A 0.1304
321 A A 0.8291
322 V A 1.8270
323 C A 1.3558
324 F A 0.3830
325 H A -0.9592
326 G A -0.6899
327 A A 0.0338
328 T A 0.2079
329 C A 0.4730
330 H A -0.7318
331 D A -1.2380
332 R A -1.3542
333 V A 0.0491
334 A A -0.2451
335 S A -0.3890
336 F A 0.3786
337 Y A 1.1521
338 C A 0.0000
339 A A 0.6364
340 C A 0.4170
341 P A 0.0945
342 M A 0.8008
343 G A 0.0021
344 K A -1.1506
345 T A -0.6422
346 G A 0.4523
347 L A 2.1717
348 L A 1.6253
349 C A 0.0000
350 H A -0.6828
351 L A -1.3483
352 D A -2.3307
353 D A -1.4570
354 A A -1.1182
355 C A -0.2701
356 V A 0.8391
357 S A 0.0067
358 N A -0.9166
359 P A -0.9599
360 C A -1.2279
361 H A -2.2169
362 E A -2.8949
363 D A -2.2348
364 A A -0.8445
365 I A 1.0185
366 C A 0.1206
367 D A -0.9952
368 T A 0.0000
369 N A -0.7287
370 P A -0.0897
371 V A 0.9144
372 N A -1.2830
373 G A -1.9304
374 R A -2.3141
375 A A 0.0000
376 I A 0.3862
377 C A -0.0333
378 T A 0.4417
379 C A -0.2718
380 P A -0.3416
381 P A -0.4870
382 G A -0.8901
383 F A -1.4312
384 T A -1.1981
385 G A -1.3641
386 G A -0.8874
387 A A -1.0163
388 C A 0.0000
389 D A -2.7880
390 Q A -2.5964
391 D A -2.0687
392 V A -1.1820
393 D A -1.3611
394 E A -0.7478
395 C A -0.3683
396 S A -0.0063
397 I A 1.0815
398 G A 0.1523
399 A A -0.2454
400 N A -1.4639
401 P A 0.0000
402 C A 0.0000
403 E A -2.5092
404 H A -1.4500
405 L A -0.0970
406 G A 0.0000
407 R A -2.1393
408 C A 0.0000
409 V A 0.0351
410 N A -0.6246
411 T A -0.6034
412 Q A -1.7450
413 G A -1.3945
414 S A -0.5149
415 F A 0.0909
416 L A 0.6393
417 C A -1.0051
418 Q A -1.5758
419 C A -1.6733
420 G A -1.4291
421 R A -2.0216
422 G A -1.2342
423 Y A -1.3020
424 T A -1.5161
425 G A -1.3642
426 P A -1.1343
427 R A -2.3396
428 C A 0.0000
429 E A -2.2848
430 T A -1.5747
431 D A -1.6507
432 V A -1.1046
433 N A -1.0052
434 E A -1.1164
435 C A -0.9181
436 L A -0.6077
437 S A -1.0070
438 G A -1.3485
439 P A -0.7706
440 C A -0.7720
441 R A -2.1626
442 N A -1.9451
443 Q A -1.7915
444 A A -0.4466
445 T A 0.1263
446 C A 0.0467
447 L A -0.0121
448 D A -1.4196
449 R A -1.0346
450 I A -0.1981
451 G A 0.0000
452 Q A -1.0356
453 F A -0.2880
454 T A 0.2389
455 C A 0.7144
456 I A 1.8153
457 C A 0.8305
458 M A 0.2609
459 A A 0.3032
460 G A -0.8881
461 F A -0.2679
462 T A 0.1269
463 G A 0.0031
464 T A 0.2542
465 Y A 0.2813
466 C A 0.0000
467 E A -1.1087
468 V A -0.3242
469 D A -1.9195
470 I A -1.5783
471 D A -3.3244
472 E A -3.1787
473 C A -2.2953
474 Q A -2.2908
475 S A -1.3768
476 S A -0.6895
477 P A -0.0969
478 C A 0.2701
479 V A 0.4614
480 N A -0.7347
481 G A -0.2695
482 G A 0.3532
483 V A 1.2142
484 C A -0.5883
485 K A -2.3314
486 D A -3.7082
487 R A -2.9684
488 V A -0.7210
489 N A -1.5557
490 G A -1.5551
491 F A -1.6772
492 S A -0.8400
493 C A 0.1725
494 T A 0.3684
495 C A 0.3640
496 P A -0.3469
497 S A -1.0184
498 G A -1.9031
499 F A -1.1370
500 S A -0.6475
501 G A -0.4197
502 S A -0.2305
503 T A 0.0448
504 C A 0.0000
505 Q A -1.0089
506 L A -0.4023
507 D A -2.4113
508 V A -1.9085
509 D A -2.7299
510 E A -2.5324
511 C A -1.5291
512 A A -0.9191
513 S A -0.7149
514 T A -0.9745
515 P A -1.1542
516 C A 0.0000
517 R A -3.4877
518 N A -2.9081
519 G A -2.3920
520 A A -2.9263
521 K A -2.9603
522 C A 0.0000
523 V A -1.6594
524 D A -2.5267
525 Q A -2.5717
526 P A -2.2825
527 D A -2.7869
528 G A -2.0414
529 Y A -1.8701
530 E A -2.4367
531 C A -2.3362
532 R A -3.1116
533 C A -2.8741
534 A A -1.9565
535 E A -1.8252
536 G A 0.0000
537 F A -2.2462
538 E A -2.9559
539 G A -1.9658
540 T A -1.4514
541 L A -1.8168
542 C A 0.0000
543 D A -3.5659
544 R A -3.4218
545 N A -2.2689
546 V A -1.5068
547 D A -2.1719
548 D A -1.4609
549 C A -1.6441
550 S A -1.6760
551 P A -1.6266
552 D A -2.6921
553 P A -2.0154
554 C A 0.0000
555 H A -2.6301
556 H A -1.9546
557 G A -1.8092
558 R A -2.0989
559 C A 0.0000
560 V A 0.4918
561 D A -0.4553
562 G A 0.5517
563 I A 0.9312
564 A A 0.0343
565 S A 0.2199
566 F A 0.0936
567 S A -0.0879
568 C A -0.9928
569 A A -0.3512
570 C A -1.0562
571 A A -0.8013
572 P A -0.5878
573 G A -0.7247
574 Y A -0.8234
575 T A -0.9429
576 G A -1.2207
577 T A -1.0920
578 R A -2.4779
579 C A 0.0000
580 E A -2.6231
581 S A -1.5198
582 Q A -0.8303
583 V A -1.1229
584 D A -2.2036
585 E A -2.2736
586 C A -2.1938
587 R A -2.9148
588 S A -1.9947
589 Q A -2.6376
590 P A -1.5412
591 C A -1.7642
592 R A -2.6709
593 H A -1.8049
594 G A -2.1143
595 G A -2.2523
596 K A -2.6858
597 C A -1.6152
598 L A -0.6633
599 D A -1.0637
600 L A 0.2522
601 V A 0.3654
602 D A -1.8657
603 K A -1.6571
604 Y A -0.4519
605 L A 0.4363
606 C A -0.9284
607 R A -2.0679
608 C A -1.3254
609 P A -1.2888
610 S A -0.5827
611 G A -0.8996
612 T A 0.0000
613 T A -0.0078
614 G A 0.3493
615 V A 1.3590
616 N A -0.5064
617 C A 0.0000
618 E A -0.7877
619 V A 0.4007
620 N A -0.9921
621 I A -0.5938
622 D A -2.2877
623 D A -2.7877
624 C A -1.9462
625 A A -1.0806
626 S A -1.1897
627 N A -1.0535
628 P A -0.5360
629 C A 0.0043
630 T A 0.4304
631 F A 1.0881
632 G A 0.6064
633 V A 1.2445
634 C A -0.5141
635 R A -2.4387
636 D A -2.5812
637 G A -2.0395
638 I A -0.7724
639 N A -2.1619
640 R A -3.0904
641 Y A -2.5871
642 D A -2.1785
643 C A -0.3863
644 V A 0.6578
645 C A 0.3659
646 Q A -1.1351
647 P A -1.4289
648 G A -1.9950
649 F A 0.0000
650 T A 0.0647
651 G A 0.2055
652 P A -0.1258
653 L A 0.5424
654 C A 0.0000
655 N A -0.4181
656 V A 0.5342
657 E A -1.8742
658 I A -1.3249
659 N A -1.9855
660 E A -2.0456
661 C A -0.8101
662 A A -0.5871
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2246 T A 0.8506
2247 P A -0.3196
2248 S A -0.9443
2249 P A -1.4049
2250 E A -2.1908
2251 S A -1.9059
2252 P A -1.8103
2253 E A -2.2720
2254 H A -1.4420
2255 W A 0.2750
2256 A A 0.2962
2257 S A -0.1103
2258 P A -0.5162
2259 S A -0.5799
2260 P A -0.5943
2261 P A -0.2115
2262 S A 0.4209
2263 L A 0.9007
2264 S A -0.2258
2265 D A -1.0512
2266 W A -0.2647
2267 S A -0.9292
2268 E A -1.7886
2269 S A -1.3595
2270 T A -0.7653
2271 P A -0.5003
2272 S A -0.4686
2273 P A -0.3976
2274 A A -0.1516
2275 T A -0.0820
2276 A A -0.0939
2277 T A -0.2733
2278 G A -0.2093
2279 A A 0.3799
2280 M A 0.9906
2281 A A 0.5410
2282 T A 0.1093
2283 T A -0.2326
2284 T A -0.3684
2285 G A -0.1687
2286 A A 0.5389
2287 L A 1.2413
2288 P A 0.2252
2289 A A -0.1789
2290 Q A -0.8384
2291 P A 0.0126
2292 L A 1.4000
2293 P A 1.1991
2294 L A 2.1325
2295 S A 1.4519
2296 V A 1.8707
2297 P A 0.5420
2298 S A 0.2024
2299 S A 0.3995
2300 L A 1.1710
2301 A A 0.2516
2302 Q A -1.0882
2303 A A -1.2130
2304 Q A -1.5942
2305 T A -0.8805
2306 Q A -0.8945
2307 L A 0.4025
2308 G A -0.4706
2309 P A -0.9590
2310 Q A -1.5513
2311 P A -1.4295
2312 E A -1.3384
2313 V A 0.3756
2314 T A -0.2364
2315 P A -1.3480
2316 K A -2.6730
2317 R A -2.7417
2318 Q A -1.3185
2319 V A 1.3486
2320 L A 1.9416
2321 A A 1.0399
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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 -0.0773 6.7535 View CSV PDB
4.5 -0.1605 6.7535 View CSV PDB
5.0 -0.2615 6.7535 View CSV PDB
5.5 -0.3657 6.7535 View CSV PDB
6.0 -0.4605 6.7535 View CSV PDB
6.5 -0.5384 6.7535 View CSV PDB
7.0 -0.5993 6.7535 View CSV PDB
7.5 -0.6487 6.7535 View CSV PDB
8.0 -0.6902 6.7535 View CSV PDB
8.5 -0.7225 6.7535 View CSV PDB
9.0 -0.7423 6.7535 View CSV PDB