Project name: C123Y_5

Status: done

Started: 2026-05-18 03:49:17
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPYLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:40)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:40)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:24)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/618e9ddc1eacc65/tmp/folded.pdb                (00:33:24)
[INFO]       Main:     Simulation completed successfully.                                          (01:12:40)
Show buried residues

Minimal score value
-2.5411
Maximal score value
2.3342
Average score
-0.2815
Total score value
-653.3217

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 0.9676
2 G A -0.3185
3 P A -0.4240
4 G A -0.5021
5 A A -0.3593
6 R A -1.9177
7 G A -1.1276
8 R A -2.2591
9 R A -2.5095
10 R A -2.5118
11 R A -2.5148
12 R A -2.5145
13 R A -2.2243
14 P A -0.3967
15 M A 0.9678
16 S A -0.0659
17 P A -0.3393
18 P A -0.3470
19 P A -0.3473
20 P A -0.3472
21 P A -0.3473
22 P A -0.3476
23 P A 0.0245
24 V A 1.3903
25 R A -1.5106
26 A A -0.0019
27 L A 1.5122
28 P A 0.2831
29 L A 1.6408
30 L A 2.0865
31 L A 2.1103
32 L A 2.1174
33 L A 1.8455
34 A A 0.2592
35 G A -0.5022
36 P A -0.4288
37 G A -0.5037
38 A A -0.0177
39 A A 0.0794
40 A A 0.0243
41 P A -0.2356
42 P A -0.1328
43 C A 0.4397
44 L A 1.2586
45 D A -1.5958
46 G A -0.8207
47 S A -0.2415
48 P A 0.0000
49 C A -0.1413
50 A A -0.1223
51 N A -0.9511
52 G A -0.6246
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1754
57 Q A -0.7365
58 L A 0.4185
59 P A -0.1813
60 S A -0.5851
61 R A -2.2159
62 E A -2.1571
63 A A -0.4375
64 A A 0.0289
65 C A 0.3781
66 L A 1.6087
67 C A 0.5153
68 P A -0.0676
69 P A -0.2787
70 G A -0.0875
71 W A 0.0634
72 V A 0.2856
73 G A -0.3656
74 E A -2.1301
75 R A -1.9692
76 C A 0.0000
77 Q A -0.4604
78 L A -0.1855
79 E A -1.7859
80 D A -0.5834
81 P A -0.0670
82 C A -0.0757
83 H A -1.0088
84 S A -0.4774
85 G A -0.5154
86 P A -0.1297
87 C A -0.0139
88 A A -0.0629
89 G A -0.7940
90 R A -1.9405
91 G A -0.0535
92 V A 1.7635
93 C A 0.3636
94 Q A -0.4803
95 S A -0.0916
96 S A -0.0647
97 V A 1.0897
98 V A 1.8954
99 A A 0.2918
100 G A -0.4647
101 T A -0.1336
102 A A 0.0000
103 R A -1.5870
104 F A 0.3518
105 S A -0.0615
106 C A -0.2830
107 R A -1.7845
108 C A -0.1314
109 P A -0.3411
110 R A -1.8690
111 G A -0.3381
112 F A 0.5426
113 R A -0.2629
114 G A -0.2707
115 P A -0.4071
116 D A -0.7227
117 C A 0.0000
118 S A -0.0558
119 L A 0.3600
120 P A -0.1265
121 D A -0.2704
122 P A 0.0000
123 Y A 1.4805
124 L A 1.1090
125 S A -0.0824
126 S A -0.2593
127 P A -0.0815
128 C A 0.0000
129 A A -0.1334
130 H A -0.8573
131 G A -0.6045
132 A A -0.3907
133 R A -1.7861
134 C A -0.0674
135 S A -0.0182
136 V A 0.8053
137 G A 0.0464
138 P A -0.5873
139 D A -1.8355
140 G A 0.0000
141 R A -1.7093
142 F A 0.7607
143 L A 1.6972
144 C A 0.3764
145 S A -0.1534
146 C A 0.1769
147 P A -0.0695
148 P A -0.2751
149 G A -0.0767
150 Y A -0.1412
151 Q A -1.2563
152 G A -1.0238
153 R A -1.9385
154 S A -0.3849
155 C A 0.0000
156 R A -1.8834
157 S A -0.6485
158 D A -0.4822
159 V A 0.0796
160 D A -0.5339
161 E A -0.8257
162 C A -0.3305
163 R A -1.4957
164 V A 1.3937
165 G A -0.2393
166 E A -1.8730
167 P A -0.3876
168 C A 0.0000
169 R A -2.0061
170 H A -1.3073
171 G A -0.6356
172 G A -0.1318
173 T A -0.0538
174 C A 0.2835
175 L A 0.7804
176 N A -0.3355
177 T A 0.0000
178 P A -0.2675
179 G A -0.1503
180 S A -0.0922
181 F A -0.0803
182 R A -1.7583
183 C A -0.4634
184 Q A -1.1491
185 C A -0.0783
186 P A -0.0690
187 A A 0.0055
188 G A -0.0965
189 Y A 0.3099
190 T A 0.0341
191 G A -0.1882
192 P A -0.2029
193 L A 0.3886
194 C A 0.0000
195 E A -0.9116
196 N A -1.1775
197 P A -0.3794
198 A A 0.2103
199 V A 1.1363
200 P A 0.2078
201 C A 0.1329
202 A A -0.0160
203 P A -0.2688
204 S A -0.1725
205 P A -0.0730
206 C A 0.0000
207 R A -1.9969
208 N A -1.2531
209 G A -0.6234
210 G A -0.1130
211 T A -0.0605
212 C A -0.2368
213 R A -2.0383
214 Q A -1.4609
215 S A -0.4076
216 G A -0.5592
217 D A -1.5454
218 L A 1.2139
219 T A 0.2668
220 Y A -0.1258
221 D A -1.5742
222 C A -0.1848
223 A A 0.0938
224 C A 0.3998
225 L A 0.9247
226 P A -0.0951
227 G A -0.2731
228 F A -0.1664
229 E A -1.8216
230 G A -0.7955
231 Q A -1.2867
232 N A -0.4604
233 C A 0.0000
234 E A -1.0478
235 V A 0.8353
236 N A -0.0323
237 V A 0.4106
238 D A -1.7684
239 D A -1.0295
240 C A -0.0851
241 P A -0.3246
242 G A -0.5999
243 H A -0.8965
244 R A -1.9177
245 C A 0.0116
246 L A 1.1806
247 N A -0.6250
248 G A -0.6151
249 G A -0.1142
250 T A -0.0617
251 C A 0.2477
252 V A 0.7497
253 D A -0.5334
254 G A 0.1313
255 V A 1.5255
256 N A -0.9692
257 T A -0.2464
258 Y A -0.1396
259 N A -1.2204
260 C A -0.3650
261 Q A -1.1467
262 C A -0.0421
263 P A -0.0656
264 P A -0.3959
265 E A -0.7400
266 W A -0.0398
267 T A -0.2293
268 G A -0.4135
269 Q A -1.1818
270 F A 0.0760
271 C A 0.0000
272 T A -0.3857
273 E A -1.9155
274 D A -0.7262
275 V A 0.0314
276 D A -0.5268
277 E A -0.2630
278 C A -0.1728
279 Q A -0.8977
280 L A 1.0771
281 Q A -0.9627
282 P A -0.7017
283 N A -1.3179
284 A A -0.2230
285 C A 0.0000
286 H A -1.1176
287 N A -0.9329
288 G A -0.4299
289 G A -0.0780
290 T A 0.0617
291 C A 0.2312
292 F A 0.4823
293 N A -0.5316
294 T A 0.0888
295 L A 1.5067
296 G A 0.0954
297 G A -0.1766
298 H A -0.5026
299 S A -0.2495
300 C A 0.1646
301 V A 0.6107
302 C A 0.2728
303 V A 0.0000
304 N A -1.2730
305 G A 0.0000
306 W A 0.1252
307 T A -0.0327
308 G A -0.5322
309 E A -1.8682
310 S A -0.3991
311 C A 0.0000
312 S A -0.4324
313 Q A -1.3027
314 N A -0.3824
315 I A 0.5931
316 D A -1.4240
317 D A -0.8391
318 C A 0.0166
319 A A 0.0660
320 T A -0.0587
321 A A 0.3364
322 V A 1.7947
323 C A 0.6547
324 F A 0.8094
325 H A -0.8972
326 G A -0.6450
327 A A -0.0594
328 T A -0.0424
329 C A 0.0563
330 H A -0.5563
331 D A -1.2429
332 R A -1.8565
333 V A 0.5162
334 A A 0.1472
335 S A -0.1942
336 F A 0.5153
337 Y A 1.1347
338 C A 0.0000
339 A A 0.0777
340 C A 0.2799
341 P A 0.1526
342 M A 1.0207
343 G A 0.0020
344 K A -0.6976
345 T A -0.1146
346 G A 0.1557
347 L A 1.5873
348 L A 0.6345
349 C A 0.0000
350 H A -0.4132
351 L A -0.2233
352 D A -1.8645
353 D A -0.7032
354 A A -0.0290
355 C A 0.3651
356 V A 1.4121
357 S A -0.1791
358 N A -1.3251
359 P A -0.2938
360 C A 0.0095
361 H A -0.5877
362 E A -2.1936
363 D A -2.1182
364 A A 0.0759
365 I A 2.0440
366 C A 0.2180
367 D A -1.7595
368 T A 0.0000
369 N A -0.2887
370 P A 0.0227
371 V A 1.4950
372 N A -0.9678
373 G A -0.6847
374 R A -1.8618
375 A A 0.0000
376 I A 1.2289
377 C A 0.3130
378 T A -0.0137
379 C A 0.1852
380 P A 0.0000
381 P A -0.2641
382 G A -0.0230
383 F A 0.1888
384 T A -0.1854
385 G A -0.4912
386 G A -0.5356
387 A A -0.0527
388 C A 0.0000
389 D A -2.0088
390 Q A -1.5864
391 D A -0.4265
392 V A 0.1569
393 D A -0.9110
394 E A -0.4471
395 C A 0.0644
396 S A 0.1813
397 I A 1.8871
398 G A -0.0807
399 A A -0.2420
400 N A -1.1598
401 P A -0.2396
402 C A 0.0000
403 E A -1.8841
404 H A -0.4056
405 L A 1.4846
406 G A 0.0000
407 R A -1.9678
408 C A 0.0000
409 V A 0.5655
410 N A -0.3790
411 T A -0.3093
412 Q A -1.2168
413 G A -0.3119
414 S A -0.0494
415 F A 0.6993
416 L A 1.6578
417 C A 0.1361
418 Q A -1.3323
419 C A -0.0458
420 G A -0.5732
421 R A -1.9035
422 G A -0.0913
423 Y A 0.0267
424 T A -0.0393
425 G A -0.2057
426 P A -0.5510
427 R A -1.5505
428 C A 0.0000
429 E A -1.3256
430 T A -0.4605
431 D A -0.8322
432 V A 0.1782
433 N A -0.8556
434 E A -0.8638
435 C A 0.2623
436 L A 1.5302
437 S A -0.0153
438 G A -0.5109
439 P A -0.1020
440 C A -0.1670
441 R A -1.9496
442 N A -1.2127
443 Q A -1.3155
444 A A -0.2010
445 T A -0.0422
446 C A 0.2620
447 L A 0.5629
448 D A -0.7494
449 R A -1.3173
450 I A 1.6371
451 G A 0.0000
452 Q A -1.1503
453 F A -0.0473
454 T A 0.0321
455 C A 0.3853
456 I A 1.6845
457 C A 0.6061
458 M A 0.5718
459 A A 0.1446
460 G A -0.2447
461 F A -0.0362
462 T A -0.0466
463 G A -0.2623
464 T A 0.0187
465 Y A 0.7316
466 C A 0.0000
467 E A -0.5937
468 V A 0.6450
469 D A -1.4109
470 I A 0.1332
471 D A -1.6891
472 E A -1.2507
473 C A -0.2941
474 Q A -1.2196
475 S A -0.4685
476 S A -0.2590
477 P A -0.0681
478 C A 0.2609
479 V A 0.9150
480 N A -0.8505
481 G A -0.6506
482 G A 0.2015
483 V A 1.7872
484 C A 0.2110
485 K A -1.7533
486 D A -2.3155
487 R A -1.7842
488 V A 1.2042
489 N A -0.9768
490 G A -0.2275
491 F A 0.1491
492 S A 0.0923
493 C A 0.0982
494 T A 0.0007
495 C A 0.1381
496 P A -0.1106
497 S A -0.2411
498 G A -0.3750
499 F A 0.0213
500 S A 0.0290
501 G A -0.3988
502 S A -0.2778
503 T A -0.0422
504 C A 0.0000
505 Q A -0.9686
506 L A 0.6853
507 D A -1.4229
508 V A -0.1204
509 D A -1.7767
510 E A -1.2081
511 C A -0.0593
512 A A 0.0370
513 S A -0.2149
514 T A -0.1160
515 P A -0.0509
516 C A 0.0000
517 R A -2.0318
518 N A -1.4408
519 G A -0.6465
520 A A -0.3572
521 K A -1.6845
522 C A -0.1287
523 V A 0.1505
524 D A -1.4631
525 Q A -1.1625
526 P A -0.7395
527 D A -1.8640
528 G A -0.4342
529 Y A -0.0704
530 E A -1.1933
531 C A -0.5029
532 R A -1.7838
533 C A -0.0976
534 A A -0.2582
535 E A -1.8154
536 G A 0.0000
537 F A -0.0542
538 E A -1.4325
539 G A -0.6073
540 T A -0.0649
541 L A 0.3605
542 C A 0.0000
543 D A -1.8492
544 R A -2.1888
545 N A -0.5422
546 V A 0.3974
547 D A -1.7340
548 D A -1.0475
549 C A -0.2855
550 S A -0.4460
551 P A -0.6351
552 D A -1.8543
553 P A -0.3675
554 C A 0.0000
555 H A -1.0669
556 H A -0.6216
557 G A -0.4843
558 R A -1.8607
559 C A 0.0000
560 V A 1.5933
561 D A -0.5047
562 G A 0.0404
563 I A 1.9921
564 A A 0.3673
565 S A -0.0694
566 F A 0.3972
567 S A -0.0883
568 C A 0.0642
569 A A -0.0748
570 C A 0.2563
571 A A 0.0104
572 P A -0.2618
573 G A -0.3260
574 Y A 0.0488
575 T A -0.0571
576 G A -0.3086
577 T A -0.3134
578 R A -1.0742
579 C A 0.0000
580 E A -1.7793
581 S A -0.6764
582 Q A -1.0857
583 V A 0.1425
584 D A -1.2062
585 E A -0.8659
586 C A -0.4839
587 R A -1.8682
588 S A -0.7715
589 Q A -1.2283
590 P A 0.0000
591 C A 0.0000
592 R A -1.7463
593 H A -0.8464
594 G A -0.5571
595 G A -0.4201
596 K A -1.6967
597 C A -0.1609
598 L A 0.0468
599 D A -1.5355
600 L A 0.6865
601 V A 1.6033
602 D A -1.7899
603 K A -1.8913
604 Y A -0.0725
605 L A 1.1350
606 C A -0.0567
607 R A -1.7857
608 C A -0.1274
609 P A -0.0903
610 S A -0.2480
611 G A -0.2853
612 T A 0.0000
613 T A -0.0780
614 G A 0.0825
615 V A 1.6860
616 N A -0.0142
617 C A 0.0000
618 E A -0.7091
619 V A 0.8392
620 N A 0.0394
621 I A 1.3933
622 D A -1.6386
623 D A -1.3828
624 C A 0.0000
625 A A 0.0201
626 S A -0.4283
627 N A -1.3200
628 P A -0.2697
629 C A 0.1440
630 T A 0.1950
631 F A 1.3851
632 G A 0.4372
633 V A 1.7753
634 C A 0.1039
635 R A -2.0489
636 D A -0.4836
637 G A -0.2090
638 I A 0.0365
639 N A -1.5700
640 R A -1.9962
641 Y A -0.2224
642 D A -1.8753
643 C A 0.0282
644 V A 1.4487
645 C A 0.2162
646 Q A -1.0624
647 P A -0.6056
648 G A -0.0974
649 F A 0.0396
650 T A 0.1414
651 G A -0.2045
652 P A -0.1502
653 L A 0.6941
654 C A 0.0000
655 N A -0.9892
656 V A 1.0050
657 E A -1.3067
658 I A 0.5038
659 N A -1.1260
660 E A -0.5025
661 C A 0.0809
662 A A 0.0428
663 S A -0.2413
664 S A -0.2631
665 P A -0.0862
666 C A 0.0361
667 G A -0.4996
668 E A -1.9383
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1932 V A -0.1563
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1940 K A 0.0000
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1944 H A 0.0000
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1946 A A 0.0000
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1949 V A 0.7947
1950 N A -0.3111
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1952 V A 0.1764
1953 E A -1.7275
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6394
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1963 A A 0.0000
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1966 D A -0.6972
1967 M A -0.0801
1968 Q A -0.7000
1969 D A 0.0000
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1971 K A -0.9724
1972 E A -1.5400
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
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.7118
1982 E A -1.5369
1983 G A -0.4219
1984 S A 0.0000
1985 Y A -0.0929
1986 E A -1.6030
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0763
1990 L A 0.0067
1991 L A 0.0000
1992 L A -0.0694
1993 D A -1.8033
1994 H A -0.3856
1995 F A 0.8929
1996 A A 0.0000
1997 N A -0.8076
1998 R A -0.7293
1999 E A -1.8099
2000 I A -0.0195
2001 T A -0.1424
2002 D A 0.0000
2003 H A -0.7153
2004 L A 1.0491
2005 D A -1.5883
2006 R A -0.6735
2007 L A 0.3124
2008 P A 0.0000
2009 R A -1.3612
2010 D A -1.4431
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3616
2014 E A -2.2537
2015 R A -1.2533
2016 L A 1.1758
2017 H A -0.0959
2018 Q A -1.3623
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2100 S A 0.0330
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2267 S A -0.3043
2268 E A -1.9037
2269 S A -0.6034
2270 T A -0.1648
2271 P A -0.3127
2272 S A -0.3157
2273 P A -0.2871
2274 A A -0.0058
2275 T A -0.0462
2276 A A 0.0280
2277 T A -0.1443
2278 G A -0.4654
2279 A A 0.1360
2280 M A 1.0780
2281 A A 0.2981
2282 T A -0.0772
2283 T A -0.1019
2284 T A -0.1751
2285 G A -0.4642
2286 A A 0.2334
2287 L A 1.5026
2288 P A 0.0992
2289 A A -0.2837
2290 Q A -1.2330
2291 P A -0.1766
2292 L A 1.4449
2293 P A 0.3668
2294 L A 1.4530
2295 S A 0.4758
2296 V A 1.6797
2297 P A 0.0369
2298 S A -0.3105
2299 S A 0.1201
2300 L A 1.5074
2301 A A 0.0569
2302 Q A -1.1732
2303 A A -0.4468
2304 Q A -1.1980
2305 T A -0.5261
2306 Q A -0.8421
2307 L A 1.1767
2308 G A -0.2493
2309 P A -0.5993
2310 Q A -1.2970
2311 P A -0.9138
2312 E A -1.5544
2313 V A 1.4242
2314 T A 0.2665
2315 P A -0.6624
2316 K A -2.1017
2317 R A -2.3805
2318 Q A -1.1276
2319 V A 1.7763
2320 L A 1.8836
2321 A A 0.4296
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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 -0.0096 4.6633 View CSV PDB
4.5 -0.042 4.6633 View CSV PDB
5.0 -0.0813 4.6633 View CSV PDB
5.5 -0.1219 4.6633 View CSV PDB
6.0 -0.1589 4.6633 View CSV PDB
6.5 -0.1889 4.6633 View CSV PDB
7.0 -0.2118 4.6633 View CSV PDB
7.5 -0.2296 4.6633 View CSV PDB
8.0 -0.2439 4.6633 View CSV PDB
8.5 -0.2545 4.6633 View CSV PDB
9.0 -0.26 4.6633 View CSV PDB