Project name: C245Y_5

Status: done

Started: 2026-05-18 05:16:12
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRYLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:45)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2c0139bf5e3e0f5/tmp/folded.pdb                (00:18:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:45:00)
Show buried residues

Minimal score value
-2.6009
Maximal score value
2.4866
Average score
-0.2763
Total score value
-641.2639

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 -0.3224
3 P A -0.4248
4 G A -0.5025
5 A A -0.3621
6 R A -1.9181
7 G A -1.1280
8 R A -2.3494
9 R A -2.6009
10 R A -2.5216
11 R A -2.5178
12 R A -2.5099
13 R A -2.2258
14 P A -0.3965
15 M A 0.9677
16 S A -0.0659
17 P A -0.3394
18 P A -0.3467
19 P A -0.3470
20 P A -0.3473
21 P A -0.3472
22 P A -0.3471
23 P A 0.0258
24 V A 1.3886
25 R A -1.5091
26 A A 0.0026
27 L A 1.5121
28 P A 0.3164
29 L A 1.7884
30 L A 2.1238
31 L A 2.1277
32 L A 2.1281
33 L A 1.8470
34 A A 0.2643
35 G A -0.5019
36 P A -0.4267
37 G A -0.5030
38 A A -0.0172
39 A A 0.0801
40 A A 0.0333
41 P A -0.2083
42 P A -0.1247
43 C A 0.4183
44 L A 1.2532
45 D A -1.5944
46 G A -0.8255
47 S A -0.2659
48 P A 0.0000
49 C A 0.0000
50 A A -0.1291
51 N A -0.9198
52 G A -0.6188
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1501
57 Q A -0.5879
58 L A 0.5364
59 P A -0.1644
60 S A -0.5842
61 R A -2.2152
62 E A -2.1561
63 A A -0.4144
64 A A 0.0314
65 C A 0.3807
66 L A 1.6092
67 C A 0.5153
68 P A -0.0682
69 P A -0.2784
70 G A -0.0710
71 W A 0.1411
72 V A 0.3048
73 G A -0.3663
74 E A -2.1379
75 R A -2.0147
76 C A 0.0000
77 Q A -0.5656
78 L A -0.2108
79 E A -1.7753
80 D A -0.5666
81 P A -0.0655
82 C A -0.0800
83 H A -1.0094
84 S A -0.4773
85 G A -0.5150
86 P A -0.1280
87 C A -0.0127
88 A A -0.0125
89 G A -0.6136
90 R A -1.9068
91 G A -0.0387
92 V A 1.7830
93 C A 0.2857
94 Q A -0.9145
95 S A -0.1744
96 S A -0.0824
97 V A 1.0027
98 V A 1.9148
99 A A 0.2976
100 G A -0.4654
101 T A -0.1363
102 A A -0.2486
103 R A -1.7149
104 F A 0.2854
105 S A -0.0696
106 C A -0.2807
107 R A -1.7852
108 C A -0.1418
109 P A -0.3732
110 R A -1.8739
111 G A -0.2762
112 F A 0.9236
113 R A -0.1905
114 G A -0.2600
115 P A -0.3959
116 D A -0.6711
117 C A 0.0000
118 S A -0.0453
119 L A 0.6746
120 P A -0.0469
121 D A -0.4503
122 P A -0.0848
123 C A 0.2055
124 L A 0.5223
125 S A -0.1527
126 S A -0.2589
127 P A -0.0685
128 C A 0.0774
129 A A -0.1316
130 H A -0.9644
131 G A -0.6238
132 A A -0.3927
133 R A -1.8057
134 C A -0.1683
135 S A -0.0260
136 V A 0.8015
137 G A 0.0561
138 P A -0.5882
139 D A -1.8467
140 G A -0.6937
141 R A -1.6776
142 F A 0.2612
143 L A 0.9940
144 C A 0.2521
145 S A -0.1493
146 C A 0.1949
147 P A -0.0723
148 P A -0.2803
149 G A -0.0971
150 Y A -0.1142
151 Q A -1.2464
152 G A -0.9728
153 R A -1.7439
154 S A 0.0000
155 C A 0.0000
156 R A -1.8739
157 S A -0.5993
158 D A -0.4727
159 V A 0.1367
160 D A -0.4693
161 E A -0.8557
162 C A -0.3406
163 R A -1.4971
164 V A 1.3950
165 G A -0.2372
166 E A -1.8722
167 P A -0.3854
168 C A 0.0000
169 R A -1.9966
170 H A -1.2572
171 G A -0.6270
172 G A -0.1232
173 T A -0.0572
174 C A 0.2346
175 L A 0.4915
176 N A -0.3667
177 T A -0.1020
178 P A -0.2721
179 G A -0.1728
180 S A -0.0862
181 F A 0.0003
182 R A -1.7460
183 C A -0.4530
184 Q A -1.1378
185 C A -0.0109
186 P A -0.0560
187 A A 0.0114
188 G A -0.0663
189 Y A 0.3194
190 T A 0.0135
191 G A -0.2258
192 P A -0.2111
193 L A 0.3798
194 C A 0.0000
195 E A -0.6846
196 N A -1.3094
197 P A -0.4090
198 A A 0.3066
199 V A 1.6722
200 P A 0.3100
201 C A 0.1321
202 A A -0.0036
203 P A -0.2664
204 S A -0.1759
205 P A -0.0814
206 C A 0.0000
207 R A -1.9701
208 N A -1.2098
209 G A -0.6165
210 G A -0.1117
211 T A -0.0599
212 C A -0.2295
213 R A -2.0493
214 Q A -1.5304
215 S A -0.4239
216 G A -0.5676
217 D A -1.5464
218 L A 1.2128
219 T A 0.2538
220 Y A -0.1801
221 D A -1.5661
222 C A -0.1821
223 A A 0.0936
224 C A 0.3989
225 L A 0.8574
226 P A -0.1104
227 G A -0.2477
228 F A -0.2137
229 E A -1.8089
230 G A -0.7705
231 Q A -1.2750
232 N A -0.4220
233 C A 0.0000
234 E A -0.5936
235 V A 0.6603
236 N A -0.6866
237 V A 0.3912
238 D A -1.7449
239 D A -1.0078
240 C A -0.0806
241 P A -0.3245
242 G A -0.5863
243 H A -0.8210
244 R A -1.8935
245 Y A -0.0429
246 L A 0.8040
247 N A -0.6934
248 G A -0.6163
249 G A -0.1333
250 T A -0.0373
251 C A 0.3418
252 V A 1.0652
253 D A -0.1916
254 G A 0.1595
255 V A 1.5211
256 N A -0.9730
257 T A -0.2402
258 Y A 0.0208
259 N A -1.1930
260 C A -0.3468
261 Q A -1.1554
262 C A -0.1106
263 P A -0.0735
264 P A -0.3786
265 E A -0.6543
266 W A 0.0005
267 T A -0.2598
268 G A -0.6049
269 Q A -1.1374
270 F A 0.5144
271 C A 0.0000
272 T A -0.4035
273 E A -1.8863
274 D A -0.5895
275 V A 0.0000
276 D A -1.3655
277 E A -0.2926
278 C A -0.1157
279 Q A -0.8905
280 L A 1.0867
281 Q A -0.9617
282 P A -0.7004
283 N A -1.3180
284 A A -0.2233
285 C A 0.0000
286 H A -0.8837
287 N A -1.0512
288 G A -0.6268
289 G A -0.1573
290 T A -0.0429
291 C A 0.4891
292 F A 1.8649
293 N A -0.2353
294 T A 0.0962
295 L A 1.5112
296 G A 0.1257
297 G A -0.1453
298 H A -0.4643
299 S A -0.2347
300 C A 0.2328
301 V A 0.9346
302 C A 0.0000
303 V A 1.3717
304 N A -0.1300
305 G A 0.0000
306 W A 0.1148
307 T A -0.0201
308 G A -0.5213
309 E A -1.8642
310 S A -0.3860
311 C A 0.0000
312 S A -0.4023
313 Q A -1.2980
314 N A -0.5138
315 I A -0.1474
316 D A -1.7243
317 D A 0.0000
318 C A 0.1306
319 A A 0.0743
320 T A -0.0226
321 A A 0.0000
322 V A 1.1356
323 C A 0.4550
324 F A 0.7304
325 H A -0.9100
326 G A -0.6451
327 A A -0.0566
328 T A -0.0417
329 C A 0.0747
330 H A -0.4362
331 D A -0.8444
332 R A -1.7256
333 V A 0.7602
334 A A 0.2153
335 S A 0.0000
336 F A 0.3538
337 Y A 1.2337
338 C A 0.3151
339 A A 0.0916
340 C A 0.2782
341 P A 0.0132
342 M A 0.1205
343 G A -0.1719
344 K A -0.7590
345 T A -0.1058
346 G A -0.0403
347 L A 0.1509
348 L A 0.0000
349 C A 0.0000
350 H A -0.1476
351 L A -0.1173
352 D A -1.8784
353 D A -0.7967
354 A A -0.0452
355 C A 0.2328
356 V A 0.6402
357 S A -0.3206
358 N A -1.3294
359 P A -0.3172
360 C A 0.0207
361 H A -0.5297
362 E A -2.1835
363 D A -2.1184
364 A A 0.0739
365 I A 2.0372
366 C A 0.2190
367 D A -1.6239
368 T A 0.0000
369 N A 0.0000
370 P A -0.1019
371 V A 0.0000
372 N A -0.2300
373 G A -0.3127
374 R A -1.1804
375 A A 0.0437
376 I A 1.1866
377 C A 0.3427
378 T A 0.1805
379 C A 0.1666
380 P A -0.0395
381 P A -0.2691
382 G A -0.0283
383 F A 0.1730
384 T A 0.0154
385 G A -0.2394
386 G A -0.4723
387 A A -0.0515
388 C A 0.0000
389 D A -2.0084
390 Q A -1.6004
391 D A -0.5234
392 V A 0.1438
393 D A -0.9157
394 E A -0.4816
395 C A 0.0243
396 S A 0.1758
397 I A 1.8872
398 G A -0.0817
399 A A -0.0847
400 N A -0.3065
401 P A -0.0860
402 C A 0.0000
403 E A -1.2386
404 H A -0.7830
405 L A 0.5799
406 G A 0.0000
407 R A -1.9402
408 C A 0.0000
409 V A 0.5030
410 N A -0.1734
411 T A -0.2527
412 Q A -1.2178
413 G A -0.3334
414 S A -0.0651
415 F A 0.7014
416 L A 1.3096
417 C A 0.0706
418 Q A -1.3307
419 C A -0.0404
420 G A -0.5528
421 R A -1.8912
422 G A 0.0000
423 Y A -0.0642
424 T A -0.0421
425 G A -0.2094
426 P A -0.5128
427 R A -1.3327
428 C A 0.0000
429 E A -1.1526
430 T A -0.5838
431 D A -1.6397
432 V A 0.3451
433 N A -0.3800
434 E A -0.3663
435 C A 0.3266
436 L A 1.5276
437 S A -0.0156
438 G A -0.5119
439 P A -0.1071
440 C A -0.1691
441 R A -1.9429
442 N A -1.1776
443 Q A -1.3091
444 A A -0.1933
445 T A -0.0151
446 C A 0.1653
447 L A 0.2050
448 D A -1.2195
449 R A -1.6985
450 I A 1.4261
451 G A 0.0000
452 Q A -1.1365
453 F A -0.0111
454 T A 0.0502
455 C A 0.4517
456 I A 2.0648
457 C A 0.6744
458 M A 0.5519
459 A A 0.1434
460 G A -0.2409
461 F A -0.0364
462 T A -0.0492
463 G A -0.2673
464 T A 0.0129
465 Y A 0.7051
466 C A 0.0000
467 E A -0.5848
468 V A 0.7031
469 D A -1.4015
470 I A 0.1279
471 D A -1.8220
472 E A -1.2742
473 C A -0.2897
474 Q A -1.2195
475 S A -0.4690
476 S A -0.2588
477 P A -0.0682
478 C A 0.2533
479 V A 0.8822
480 N A -0.8118
481 G A -0.6415
482 G A 0.2023
483 V A 1.7882
484 C A 0.2268
485 K A -1.6910
486 D A -2.3019
487 R A -1.8427
488 V A 1.2042
489 N A -0.9775
490 G A -0.2267
491 F A 0.3405
492 S A 0.0887
493 C A 0.1000
494 T A 0.0004
495 C A 0.1454
496 P A -0.1198
497 S A -0.2436
498 G A -0.3294
499 F A 0.0406
500 S A 0.0328
501 G A -0.3923
502 S A -0.2764
503 T A -0.0413
504 C A 0.0000
505 Q A -0.9631
506 L A 0.7294
507 D A -1.3815
508 V A 0.0659
509 D A -1.7273
510 E A -0.7009
511 C A 0.0364
512 A A 0.0373
513 S A -0.2149
514 T A -0.1166
515 P A -0.0566
516 C A 0.0000
517 R A -1.9157
518 N A -0.8114
519 G A -0.5345
520 A A -0.3561
521 K A -1.6846
522 C A -0.1537
523 V A 0.1344
524 D A -1.6344
525 Q A -1.3688
526 P A -0.7642
527 D A -1.8638
528 G A -0.3178
529 Y A 0.1497
530 E A -1.3168
531 C A -0.5092
532 R A -1.7816
533 C A -0.0813
534 A A -0.2589
535 E A -1.8272
536 G A -0.3452
537 F A -0.0757
538 E A -1.3687
539 G A -0.5861
540 T A -0.0021
541 L A 0.6994
542 C A 0.0000
543 D A -2.1229
544 R A -2.2471
545 N A -0.6104
546 V A 0.3191
547 D A -1.7996
548 D A -1.0795
549 C A -0.2544
550 S A -0.2609
551 P A -0.6279
552 D A -1.8267
553 P A -0.3404
554 C A -0.2296
555 H A -1.0605
556 H A -0.6635
557 G A -0.5110
558 R A -1.8683
559 C A 0.0000
560 V A 1.5689
561 D A -0.5983
562 G A 0.0197
563 I A 1.9902
564 A A 0.3534
565 S A -0.0791
566 F A 0.3589
567 S A -0.0956
568 C A 0.0655
569 A A 0.1229
570 C A 0.2714
571 A A 0.0306
572 P A -0.2602
573 G A -0.2899
574 Y A 0.0362
575 T A -0.0530
576 G A -0.2707
577 T A -0.2950
578 R A -1.0014
579 C A 0.0000
580 E A -1.6358
581 S A -0.6261
582 Q A -1.1019
583 V A 0.0360
584 D A -1.3472
585 E A -0.6005
586 C A -0.3079
587 R A -1.8673
588 S A -0.7636
589 Q A -1.2433
590 P A -0.2451
591 C A -0.3078
592 R A -1.9130
593 H A -0.8706
594 G A -0.5567
595 G A -0.4137
596 K A -1.6966
597 C A -0.1631
598 L A 0.0217
599 D A -1.5128
600 L A 0.7867
601 V A 1.6220
602 D A -1.7801
603 K A -1.8556
604 Y A 0.0427
605 L A 1.2156
606 C A -0.0425
607 R A -1.7825
608 C A -0.0965
609 P A -0.0908
610 S A -0.2476
611 G A -0.2759
612 T A 0.0000
613 T A -0.0927
614 G A 0.0725
615 V A 1.6801
616 N A 0.0589
617 C A 0.0000
618 E A -0.3081
619 V A 0.9692
620 N A -0.2977
621 I A 0.8499
622 D A -1.7257
623 D A -1.3105
624 C A 0.0000
625 A A 0.0215
626 S A -0.4265
627 N A -1.3206
628 P A -0.2704
629 C A 0.1441
630 T A 0.1677
631 F A 1.1869
632 G A 0.2913
633 V A 1.0771
634 C A -0.0351
635 R A -1.9527
636 D A -0.9748
637 G A -0.3129
638 I A 0.6144
639 N A -1.4533
640 R A -2.0132
641 Y A -0.3059
642 D A -1.6152
643 C A 0.0445
644 V A 1.5355
645 C A 0.2568
646 Q A -0.8241
647 P A -0.5644
648 G A -0.2529
649 F A 0.0303
650 T A -0.0092
651 G A -0.2153
652 P A -0.1395
653 L A 0.7739
654 C A 0.0000
655 N A -0.9177
656 V A 1.2002
657 E A -1.2682
658 I A 0.5567
659 N A -1.1213
660 E A -0.5110
661 C A 0.0840
662 A A 0.0437
663 S A -0.2407
664 S A -0.2662
665 P A -0.1091
666 C A 0.0324
667 G A -0.4704
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1932 V A -0.1989
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1936 D A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.1572
1946 A A 0.0000
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1949 V A 0.8487
1950 N A -0.3127
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1952 V A 0.1265
1953 E A -1.7320
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6528
1957 A A 0.1236
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1960 K A -1.8999
1961 N A -1.6410
1962 G A -0.6931
1963 A A 0.0000
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1965 K A -0.7587
1966 D A -0.4659
1967 M A -0.0663
1968 Q A -0.8524
1969 D A 0.0000
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1971 K A -1.4690
1972 E A -1.8489
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 -0.4499
1982 E A -0.8697
1983 G A -0.3136
1984 S A 0.0000
1985 Y A 0.1341
1986 E A -1.5291
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0631
1990 L A -0.1888
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8080
1994 H A -0.3506
1995 F A 0.9692
1996 A A 0.0000
1997 N A -0.3519
1998 R A -0.7309
1999 E A -1.8261
2000 I A -0.0120
2001 T A -0.1525
2002 D A 0.0000
2003 H A -0.5976
2004 L A 1.0716
2005 D A -1.5898
2006 R A -0.6697
2007 L A 0.3028
2008 P A 0.0000
2009 R A -1.0950
2010 D A -1.0159
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.8455
2014 E A -1.9960
2015 R A -0.3470
2016 L A 1.3980
2017 H A -0.0719
2018 Q A -1.3451
2019 D A -1.0203
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2021 V A 0.0000
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2023 L A 0.0000
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2100 S A 0.0273
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2267 S A -0.2714
2268 E A -1.9053
2269 S A -0.6094
2270 T A -0.1565
2271 P A -0.3066
2272 S A -0.3052
2273 P A -0.2824
2274 A A -0.0010
2275 T A -0.0496
2276 A A 0.0328
2277 T A -0.1474
2278 G A -0.4677
2279 A A 0.1695
2280 M A 1.0764
2281 A A 0.2535
2282 T A -0.0736
2283 T A -0.0980
2284 T A -0.1754
2285 G A -0.4691
2286 A A 0.2603
2287 L A 1.5104
2288 P A 0.0491
2289 A A -0.2223
2290 Q A -1.2327
2291 P A -0.1925
2292 L A 1.4454
2293 P A 0.3682
2294 L A 1.4626
2295 S A 0.4836
2296 V A 1.6747
2297 P A 0.0440
2298 S A -0.3101
2299 S A 0.0096
2300 L A 1.5227
2301 A A 0.1188
2302 Q A -1.1738
2303 A A -0.3937
2304 Q A -1.2034
2305 T A -0.5883
2306 Q A -0.9199
2307 L A 1.2338
2308 G A -0.2235
2309 P A -0.5656
2310 Q A -1.3008
2311 P A -0.8685
2312 E A -1.5463
2313 V A 1.4267
2314 T A 0.2169
2315 P A -0.5785
2316 K A -2.1896
2317 R A -2.4863
2318 Q A -1.2206
2319 V A 1.8925
2320 L A 1.9566
2321 A A 0.3413
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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 -0.0034 4.9276 View CSV PDB
4.5 -0.0356 4.9276 View CSV PDB
5.0 -0.0745 4.9276 View CSV PDB
5.5 -0.1145 4.9276 View CSV PDB
6.0 -0.1507 4.9276 View CSV PDB
6.5 -0.18 4.9276 View CSV PDB
7.0 -0.2024 4.9276 View CSV PDB
7.5 -0.2199 4.9276 View CSV PDB
8.0 -0.2342 4.9276 View CSV PDB
8.5 -0.2447 4.9276 View CSV PDB
9.0 -0.2502 4.9276 View CSV PDB