Project name: C212Y_5

Status: done

Started: 2026-05-18 05:15:24
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTYRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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             (00:00:00)
[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                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:56)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8ce4f44a10029df/tmp/folded.pdb                (00:17:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:56)
Show buried residues

Minimal score value
-2.5402
Maximal score value
2.2336
Average score
-0.2791
Total score value
-647.7757

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 0.9692
2 G A -0.3219
3 P A -0.4242
4 G A -0.5024
5 A A -0.3595
6 R A -1.9186
7 G A -1.1369
8 R A -2.2625
9 R A -2.5104
10 R A -2.5134
11 R A -2.5189
12 R A -2.5191
13 R A -2.2256
14 P A -0.3841
15 M A 0.9690
16 S A -0.0646
17 P A -0.3401
18 P A -0.3480
19 P A -0.3480
20 P A -0.3480
21 P A -0.3481
22 P A -0.3483
23 P A 0.0279
24 V A 1.3843
25 R A -1.5052
26 A A -0.0001
27 L A 1.5114
28 P A 0.3210
29 L A 1.7903
30 L A 2.1274
31 L A 2.1263
32 L A 2.1286
33 L A 1.8504
34 A A 0.2619
35 G A -0.5021
36 P A -0.4266
37 G A -0.5026
38 A A -0.0177
39 A A 0.0801
40 A A 0.0595
41 P A -0.0708
42 P A -0.1342
43 C A 0.3917
44 L A 1.2499
45 D A -1.5944
46 G A -0.8311
47 S A -0.3081
48 P A -0.0899
49 C A 0.0000
50 A A -0.1322
51 N A -0.9328
52 G A -0.6206
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1345
57 Q A -0.4854
58 L A 0.6159
59 P A -0.1533
60 S A -0.5568
61 R A -2.0521
62 E A -2.1264
63 A A -0.3973
64 A A 0.0312
65 C A 0.3811
66 L A 1.6093
67 C A 0.5151
68 P A -0.0688
69 P A -0.2766
70 G A -0.0773
71 W A 0.0495
72 V A 0.2829
73 G A -0.3637
74 E A -2.1559
75 R A -2.1228
76 C A 0.0000
77 Q A -0.5465
78 L A -0.1868
79 E A -1.7847
80 D A -0.5860
81 P A -0.0706
82 C A -0.0791
83 H A -1.0094
84 S A -0.4770
85 G A -0.5152
86 P A -0.1297
87 C A -0.0129
88 A A -0.0323
89 G A -0.7182
90 R A -1.9254
91 G A -0.0361
92 V A 1.7893
93 C A 0.3106
94 Q A -0.9602
95 S A -0.1955
96 S A -0.0811
97 V A 0.9275
98 V A 1.7073
99 A A 0.2621
100 G A -0.4654
101 T A -0.1375
102 A A 0.0000
103 R A -1.7007
104 F A 0.3195
105 S A -0.0649
106 C A -0.2429
107 R A -1.5758
108 C A -0.0799
109 P A -0.3306
110 R A -1.8656
111 G A -0.2755
112 F A 0.9168
113 R A -0.1867
114 G A -0.3084
115 P A -0.4084
116 D A -0.6910
117 C A 0.0000
118 S A -0.0529
119 L A 0.7658
120 P A -0.0370
121 D A -0.4892
122 P A -0.0960
123 C A 0.2080
124 L A 0.5016
125 S A -0.1567
126 S A -0.2589
127 P A -0.0687
128 C A 0.0689
129 A A -0.1102
130 H A -0.8298
131 G A -0.6002
132 A A -0.3937
133 R A -1.8115
134 C A -0.2031
135 S A -0.0486
136 V A 0.7065
137 G A 0.0385
138 P A -0.5865
139 D A -1.8539
140 G A -0.7577
141 R A -1.8077
142 F A 0.1590
143 L A 0.6984
144 C A 0.1787
145 S A -0.1533
146 C A 0.1900
147 P A -0.0727
148 P A -0.2774
149 G A -0.0815
150 Y A -0.1331
151 Q A -1.2535
152 G A -0.9409
153 R A -1.4598
154 S A -0.2913
155 C A 0.0000
156 R A -1.8834
157 S A -0.6631
158 D A -0.5484
159 V A 0.1295
160 D A -0.4210
161 E A -0.3290
162 C A -0.2439
163 R A -1.4974
164 V A 1.4004
165 G A -0.2040
166 E A -1.8669
167 P A -0.3895
168 C A 0.0000
169 R A -1.9944
170 H A -1.2445
171 G A -0.6244
172 G A -0.1221
173 T A -0.0575
174 C A 0.2116
175 L A 0.3866
176 N A -0.4068
177 T A -0.1001
178 P A -0.2696
179 G A -0.1519
180 S A -0.0560
181 F A 0.1063
182 R A -1.7272
183 C A -0.4645
184 Q A -1.1387
185 C A -0.0092
186 P A -0.0575
187 A A -0.0472
188 G A -0.3781
189 Y A 0.2756
190 T A -0.0152
191 G A -0.2237
192 P A -0.2102
193 L A 0.3777
194 C A 0.0000
195 E A -0.6528
196 N A -1.2123
197 P A -0.3841
198 A A 0.3153
199 V A 1.7707
200 P A 0.3853
201 C A 0.6141
202 A A 0.0969
203 P A -0.2658
204 S A -0.2048
205 P A -0.0604
206 C A 0.0000
207 R A -2.0087
208 N A -1.3192
209 G A -0.6360
210 G A -0.1124
211 T A -0.0066
212 Y A -0.1221
213 R A -2.0288
214 Q A -1.5438
215 S A -0.4267
216 G A -0.5208
217 D A -1.5379
218 L A 1.2128
219 T A 0.2449
220 Y A -0.2589
221 D A -1.4705
222 C A -0.1676
223 A A 0.1014
224 C A 0.3864
225 L A 0.8676
226 P A -0.1060
227 G A -0.1862
228 F A -0.1797
229 E A -1.8323
230 G A -0.8224
231 Q A -1.2270
232 N A -0.4770
233 C A 0.0000
234 E A -1.1902
235 V A 0.7478
236 N A 0.0212
237 V A 0.3482
238 D A -1.7968
239 D A -1.1344
240 C A -0.1121
241 P A -0.3259
242 G A -0.5952
243 H A -0.8705
244 R A -1.9259
245 C A 0.0000
246 L A 1.2113
247 N A -0.5673
248 G A -0.5981
249 G A 0.0000
250 T A -0.0529
251 C A 0.2173
252 V A 0.5789
253 D A -0.5083
254 G A 0.1270
255 V A 1.5221
256 N A -0.9686
257 T A -0.2525
258 Y A -0.0995
259 N A -1.2133
260 C A -0.3634
261 Q A -1.1441
262 C A -0.0242
263 P A -0.0655
264 P A -0.3610
265 E A -0.5634
266 W A 0.0057
267 T A -0.0782
268 G A -0.5949
269 Q A -1.2142
270 F A 0.0711
271 C A 0.0000
272 T A -0.4041
273 E A -1.8915
274 D A -0.6056
275 V A 0.0265
276 D A -0.5145
277 E A -0.1842
278 C A -0.1517
279 Q A -0.8953
280 L A 1.0820
281 Q A -0.9617
282 P A -0.7015
283 N A -1.3180
284 A A -0.2227
285 C A 0.0000
286 H A -0.9364
287 N A -1.0050
288 G A -0.6185
289 G A -0.1512
290 T A -0.0066
291 C A 0.2880
292 F A 0.7276
293 N A -0.5484
294 T A 0.1144
295 L A 1.5215
296 G A 0.0937
297 G A -0.1372
298 H A -0.4570
299 S A -0.1425
300 C A 0.0842
301 V A 0.0000
302 C A 0.0000
303 V A 0.2586
304 N A -0.1460
305 G A 0.0000
306 W A 0.1308
307 T A -0.0296
308 G A -0.5199
309 E A -1.8616
310 S A -0.3757
311 C A 0.0000
312 S A -0.4163
313 Q A -1.3110
314 N A -0.5090
315 I A 0.1563
316 D A -1.7539
317 D A -0.6845
318 C A 0.0633
319 A A 0.0676
320 T A -0.0589
321 A A 0.3357
322 V A 1.7946
323 C A 0.6722
324 F A 0.8883
325 H A -0.8831
326 G A -0.6456
327 A A -0.0584
328 T A -0.0325
329 C A 0.0707
330 H A -0.4889
331 D A -0.8050
332 R A -1.6926
333 V A 0.9629
334 A A 0.2263
335 S A -0.2108
336 F A 0.5234
337 Y A 1.0831
338 C A 0.2801
339 A A 0.0898
340 C A 0.2647
341 P A 0.1447
342 M A 1.0220
343 G A -0.0010
344 K A -0.7288
345 T A -0.1293
346 G A 0.0978
347 L A 1.5798
348 L A 0.6510
349 C A 0.0000
350 H A -0.4601
351 L A -0.2041
352 D A -1.8839
353 D A -0.8200
354 A A -0.0511
355 C A 0.2931
356 V A 1.0218
357 S A -0.2497
358 N A -1.3238
359 P A -0.2859
360 C A 0.0333
361 H A -0.5054
362 E A -2.1784
363 D A -2.1176
364 A A 0.0766
365 I A 2.0461
366 C A 0.2285
367 D A -1.7574
368 T A 0.0000
369 N A -0.2772
370 P A 0.0252
371 V A 1.4946
372 N A -0.9721
373 G A -0.7091
374 R A -1.8665
375 A A 0.0000
376 I A 1.0325
377 C A 0.2884
378 T A 0.0331
379 C A 0.2016
380 P A -0.0335
381 P A -0.2695
382 G A -0.0388
383 F A 0.1905
384 T A -0.0687
385 G A -0.5039
386 G A -0.5381
387 A A -0.0541
388 C A 0.0000
389 D A -2.0089
390 Q A -1.5838
391 D A -0.4492
392 V A 0.0315
393 D A -1.1061
394 E A -0.4945
395 C A 0.0742
396 S A 0.1840
397 I A 1.8872
398 G A -0.0815
399 A A -0.2354
400 N A -1.1297
401 P A -0.2331
402 C A 0.0000
403 E A -1.8024
404 H A -0.4935
405 L A 1.4644
406 G A 0.0000
407 R A -1.9645
408 C A 0.0000
409 V A 0.4411
410 N A -0.2395
411 T A -0.2598
412 Q A -1.2153
413 G A -0.3227
414 S A -0.0528
415 F A 0.7931
416 L A 1.5952
417 C A 0.1228
418 Q A -1.3246
419 C A -0.0365
420 G A -0.6041
421 R A -1.9012
422 G A 0.0000
423 Y A 0.0165
424 T A -0.0410
425 G A -0.2213
426 P A -0.5821
427 R A -1.7071
428 C A 0.0000
429 E A -1.3812
430 T A -0.5326
431 D A -1.1712
432 V A 0.2436
433 N A -0.6616
434 E A -0.8481
435 C A 0.2655
436 L A 1.5315
437 S A -0.0156
438 G A -0.5112
439 P A -0.1043
440 C A -0.1640
441 R A -1.9319
442 N A -1.1214
443 Q A -1.2996
444 A A -0.2011
445 T A -0.0417
446 C A 0.3321
447 L A 0.9417
448 D A -0.7522
449 R A -1.4582
450 I A 1.6981
451 G A 0.0000
452 Q A -0.7166
453 F A 0.1460
454 T A 0.0623
455 C A 0.3696
456 I A 1.5788
457 C A 0.5799
458 M A 0.5359
459 A A 0.1369
460 G A -0.1517
461 F A -0.0259
462 T A -0.0496
463 G A -0.2740
464 T A 0.0161
465 Y A 0.7278
466 C A 0.0000
467 E A -0.5918
468 V A 0.7092
469 D A -1.3958
470 I A 0.1615
471 D A -1.7775
472 E A -1.2474
473 C A -0.2831
474 Q A -1.2186
475 S A -0.4668
476 S A -0.2584
477 P A -0.0671
478 C A 0.2508
479 V A 0.8752
480 N A -0.7949
481 G A -0.6373
482 G A 0.2008
483 V A 1.7894
484 C A 0.2603
485 K A -1.5453
486 D A -2.2691
487 R A -1.8431
488 V A 1.2850
489 N A -0.5392
490 G A -0.1427
491 F A 0.4078
492 S A 0.0865
493 C A 0.1024
494 T A -0.0030
495 C A 0.1541
496 P A -0.1207
497 S A -0.2452
498 G A -0.3146
499 F A 0.1352
500 S A -0.0950
501 G A -0.4121
502 S A -0.2794
503 T A -0.0411
504 C A 0.0000
505 Q A -0.9746
506 L A 0.6902
507 D A -1.3760
508 V A 0.1508
509 D A -1.5349
510 E A -0.6673
511 C A 0.0372
512 A A 0.0372
513 S A -0.2147
514 T A -0.1083
515 P A 0.0000
516 C A 0.0000
517 R A -1.6018
518 N A -1.3328
519 G A -0.6404
520 A A -0.3488
521 K A -1.6843
522 C A -0.1393
523 V A 0.1017
524 D A -1.7718
525 Q A -1.1218
526 P A -0.7112
527 D A -1.8644
528 G A -0.3955
529 Y A 0.0369
530 E A -1.6918
531 C A -0.5498
532 R A -1.7733
533 C A -0.0400
534 A A -0.2415
535 E A -1.8152
536 G A 0.0000
537 F A -0.1436
538 E A -1.5952
539 G A -0.5931
540 T A -0.0393
541 L A 0.4591
542 C A 0.0000
543 D A -2.1192
544 R A -2.3364
545 N A -1.1325
546 V A 0.1428
547 D A -1.8117
548 D A -1.0553
549 C A -0.2387
550 S A -0.2613
551 P A -0.6278
552 D A -1.8253
553 P A -0.3452
554 C A 0.0000
555 H A -1.0771
556 H A -0.6885
557 G A -0.5048
558 R A -1.8495
559 C A 0.0269
560 V A 1.1781
561 D A -0.8696
562 G A -0.0502
563 I A 1.9852
564 A A 0.3644
565 S A -0.0582
566 F A 0.5494
567 S A -0.0612
568 C A 0.0689
569 A A 0.1123
570 C A 0.3075
571 A A 0.0398
572 P A -0.2648
573 G A -0.0742
574 Y A 0.1546
575 T A -0.0467
576 G A -0.2761
577 T A -0.3107
578 R A -1.0965
579 C A 0.0000
580 E A -1.4002
581 S A -0.5194
582 Q A -0.7498
583 V A 0.4576
584 D A -1.3040
585 E A -0.5788
586 C A 0.0000
587 R A -1.8832
588 S A -0.7602
589 Q A -1.2417
590 P A -0.2367
591 C A -0.2921
592 R A -1.9380
593 H A -1.0172
594 G A -0.5823
595 G A -0.4107
596 K A -1.6810
597 C A -0.0374
598 L A 0.2461
599 D A -1.5402
600 L A 0.4562
601 V A 1.5310
602 D A -1.7479
603 K A -1.7938
604 Y A 0.4182
605 L A 1.6316
606 C A 0.0746
607 R A -1.7737
608 C A -0.0581
609 P A -0.1101
610 S A -0.2517
611 G A -0.2788
612 T A -0.1354
613 T A -0.0910
614 G A 0.0901
615 V A 1.6732
616 N A 0.0054
617 C A 0.0000
618 E A -0.4103
619 V A 0.8225
620 N A -0.3678
621 I A 1.0550
622 D A -1.6622
623 D A -1.1316
624 C A -0.0525
625 A A 0.0366
626 S A -0.4287
627 N A -1.3190
628 P A -0.2690
629 C A 0.0000
630 T A 0.1765
631 F A 1.3491
632 G A 0.3906
633 V A 1.1640
634 C A 0.0000
635 R A -1.9691
636 D A -0.9626
637 G A -0.2547
638 I A 0.6860
639 N A -1.4429
640 R A -1.9714
641 Y A -0.0796
642 D A -1.4026
643 C A 0.1168
644 V A 1.6217
645 C A 0.2895
646 Q A -1.1988
647 P A -0.6546
648 G A -0.2811
649 F A -0.0966
650 T A 0.1453
651 G A -0.2373
652 P A -0.1429
653 L A 0.7565
654 C A 0.0000
655 N A -0.9717
656 V A 1.1375
657 E A -1.2915
658 I A 0.4744
659 N A -1.1220
660 E A -0.4604
661 C A 0.0976
662 A A 0.0442
663 S A -0.2415
664 S A -0.2622
665 P A -0.0793
666 C A 0.0422
667 G A -0.4994
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1950 N A -0.3190
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1952 V A 0.0390
1953 E A -1.7473
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5499
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1967 M A -0.0644
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1971 K A -1.0533
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
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1977 F A 0.0000
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1980 A A 0.0000
1981 R A -0.4949
1982 E A -0.5649
1983 G A -0.2511
1984 S A 0.0000
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1986 E A -1.1529
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.7962
1990 L A -0.1520
1991 L A 0.0000
1992 L A 0.0369
1993 D A -1.7836
1994 H A -0.1918
1995 F A 1.9183
1996 A A 0.0000
1997 N A -0.5322
1998 R A -0.7973
1999 E A -1.8298
2000 I A -0.0025
2001 T A -0.0991
2002 D A 0.0000
2003 H A -0.7150
2004 L A 1.0527
2005 D A -1.6000
2006 R A -0.7184
2007 L A 0.3100
2008 P A 0.0000
2009 R A -1.1796
2010 D A -1.4802
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2881
2015 R A -1.7024
2016 L A 1.1163
2017 H A -0.1243
2018 Q A -1.3900
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2020 I A 0.0000
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2267 S A -0.2769
2268 E A -1.8975
2269 S A -0.5608
2270 T A -0.1557
2271 P A -0.3068
2272 S A -0.3092
2273 P A -0.2843
2274 A A -0.0071
2275 T A -0.0461
2276 A A 0.0284
2277 T A -0.1512
2278 G A -0.4680
2279 A A 0.1585
2280 M A 1.0784
2281 A A 0.2968
2282 T A -0.0738
2283 T A -0.0993
2284 T A -0.1763
2285 G A -0.4657
2286 A A 0.2393
2287 L A 1.5102
2288 P A 0.0533
2289 A A -0.2445
2290 Q A -1.2326
2291 P A -0.1794
2292 L A 1.4508
2293 P A 0.3289
2294 L A 1.4488
2295 S A 0.5099
2296 V A 1.6806
2297 P A 0.0424
2298 S A -0.3154
2299 S A 0.0423
2300 L A 1.5211
2301 A A 0.2049
2302 Q A -1.1755
2303 A A -0.4740
2304 Q A -1.1974
2305 T A -0.5876
2306 Q A -0.9219
2307 L A 1.2317
2308 G A -0.2185
2309 P A -0.5643
2310 Q A -1.3041
2311 P A -0.8819
2312 E A -1.5340
2313 V A 1.4146
2314 T A 0.2162
2315 P A -0.6137
2316 K A -2.0979
2317 R A -2.4429
2318 Q A -1.3076
2319 V A 1.9034
2320 L A 1.9564
2321 A A 0.3401
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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 0.0006 4.6679 View CSV PDB
4.5 -0.0314 4.6679 View CSV PDB
5.0 -0.0703 4.6679 View CSV PDB
5.5 -0.1103 4.6679 View CSV PDB
6.0 -0.1463 4.6679 View CSV PDB
6.5 -0.1753 4.6679 View CSV PDB
7.0 -0.1975 4.6679 View CSV PDB
7.5 -0.215 4.6679 View CSV PDB
8.0 -0.2295 4.6679 View CSV PDB
8.5 -0.2404 4.6679 View CSV PDB
9.0 -0.2466 4.6679 View CSV PDB