Project name: C988Y_5_4D

Status: done

Started: 2026-06-01 07:16:45
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTYLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:46)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:46)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:22:07)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/b3dc1841bc7ce55/tmp/folded.pdb                (00:22:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:48:52)
Show buried residues

Minimal score value
-2.6011
Maximal score value
2.4766
Average score
-0.2839
Total score value
-658.8648

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 0.9657
2 G A -0.3149
3 P A -0.4262
4 G A -0.5028
5 A A -0.4435
6 R A -1.9184
7 G A -1.1485
8 R A -2.3642
9 R A -2.6011
10 R A -2.5801
11 R A -2.5769
12 R A -2.5784
13 R A -2.3045
14 P A -0.3903
15 M A 0.9690
16 S A -0.0662
17 P A -0.3384
18 P A -0.3460
19 P A -0.3460
20 P A -0.3465
21 P A -0.3467
22 P A -0.3464
23 P A 0.0252
24 V A 1.3908
25 R A -1.5111
26 A A 0.0025
27 L A 1.5120
28 P A 0.3141
29 L A 1.7910
30 L A 2.1270
31 L A 2.1237
32 L A 2.1251
33 L A 1.8487
34 A A 0.2609
35 G A -0.5020
36 P A -0.4266
37 G A -0.5030
38 A A -0.0159
39 A A 0.0762
40 A A 0.0332
41 P A -0.0887
42 P A -0.0619
43 C A 0.3385
44 L A 1.2346
45 D A -1.5907
46 G A -0.7978
47 S A -0.1921
48 P A -0.2510
49 C A -0.0270
50 A A -0.1305
51 N A -0.9882
52 G A -0.6413
53 G A -0.4420
54 R A -1.7481
55 C A 0.2337
56 T A -0.1384
57 Q A -1.1289
58 L A 0.1280
59 P A -0.2224
60 S A -0.5852
61 R A -2.1478
62 E A -1.7804
63 A A 0.0000
64 A A 0.0103
65 C A 0.0000
66 L A 0.7158
67 C A 0.3379
68 P A -0.0724
69 P A -0.2793
70 G A -0.0693
71 W A 0.1695
72 V A 0.3017
73 G A -0.3699
74 E A -1.9343
75 R A -0.8731
76 C A 0.0000
77 Q A -1.1605
78 L A -0.3431
79 E A -1.7805
80 D A -0.5786
81 P A -0.0691
82 C A -0.0758
83 H A -1.0091
84 S A -0.4768
85 G A -0.5139
86 P A -0.1226
87 C A -0.0193
88 A A -0.0248
89 G A -0.6775
90 R A -1.9184
91 G A -0.0463
92 V A 1.7892
93 C A 0.3455
94 Q A -0.7650
95 S A -0.1284
96 S A -0.0070
97 V A 1.0870
98 V A 1.9288
99 A A 0.2981
100 G A -0.4651
101 T A -0.1358
102 A A 0.0000
103 R A -1.7368
104 F A 0.1842
105 S A -0.0901
106 C A -0.2771
107 R A -1.7835
108 C A -0.1264
109 P A -0.3642
110 R A -1.8708
111 G A -0.2680
112 F A 0.9066
113 R A -0.2968
114 G A -0.2743
115 P A -0.4303
116 D A -0.8688
117 C A 0.0000
118 S A -0.0395
119 L A 0.8635
120 P A -0.0212
121 D A -0.4692
122 P A -0.0934
123 C A 0.2052
124 L A 0.5390
125 S A -0.1497
126 S A -0.2589
127 P A -0.0688
128 C A 0.0642
129 A A -0.1102
130 H A -0.8179
131 G A -0.5987
132 A A 0.0000
133 R A -1.8034
134 C A -0.1490
135 S A -0.0254
136 V A 0.6844
137 G A 0.0362
138 P A -0.5866
139 D A -1.8604
140 G A -0.7931
141 R A -1.8156
142 F A 0.1664
143 L A 0.7903
144 C A 0.2162
145 S A -0.1506
146 C A 0.1894
147 P A -0.0716
148 P A -0.2798
149 G A -0.0950
150 Y A -0.1458
151 Q A -1.2533
152 G A -0.9979
153 R A -1.7503
154 S A -0.3449
155 C A 0.0000
156 R A -1.8744
157 S A -0.6332
158 D A -0.6382
159 V A 0.1234
160 D A -0.3673
161 E A -0.8629
162 C A -0.3727
163 R A -1.5002
164 V A 1.3737
165 G A -0.3393
166 E A -1.8878
167 P A -0.3701
168 C A 0.0000
169 R A -1.8647
170 H A -1.2682
171 G A -0.6340
172 G A -0.1307
173 T A -0.0557
174 C A 0.2628
175 L A 0.7076
176 N A -0.3275
177 T A -0.1031
178 P A -0.2690
179 G A -0.1562
180 S A -0.0871
181 F A -0.0157
182 R A -1.7472
183 C A -0.4625
184 Q A -1.1484
185 C A -0.0691
186 P A -0.0657
187 A A 0.0190
188 G A -0.0189
189 Y A 0.3430
190 T A 0.0284
191 G A -0.2073
192 P A -0.2158
193 L A 0.3356
194 C A 0.0000
195 E A -1.2141
196 N A -1.3481
197 P A -0.3961
198 A A 0.2740
199 V A 1.4340
200 P A 0.0000
201 C A 0.1547
202 A A -0.0070
203 P A -0.2635
204 S A -0.1483
205 P A -0.0672
206 C A 0.0000
207 R A -1.9915
208 N A -1.2241
209 G A -0.6193
210 G A -0.1153
211 T A -0.0603
212 C A -0.2463
213 R A -2.0505
214 Q A -1.5356
215 S A -0.4204
216 G A -0.5274
217 D A -1.5779
218 L A 0.9972
219 T A 0.2264
220 Y A -0.1627
221 D A -1.4151
222 C A 0.0000
223 A A 0.0722
224 C A 0.3912
225 L A 0.8824
226 P A -0.1038
227 G A -0.1066
228 F A -0.2576
229 E A -1.8120
230 G A -0.7490
231 Q A -1.2856
232 N A -0.5065
233 C A 0.0000
234 E A -1.2043
235 V A 0.4590
236 N A -0.7125
237 V A 0.5449
238 D A -1.7480
239 D A -1.1865
240 C A -0.1133
241 P A -0.3244
242 G A -0.6008
243 H A -0.9011
244 R A -1.9186
245 C A 0.0141
246 L A 1.2086
247 N A -0.6158
248 G A -0.6147
249 G A -0.1213
250 T A -0.0613
251 C A 0.2948
252 V A 1.0305
253 D A -0.2671
254 G A 0.1611
255 V A 1.5099
256 N A -0.9727
257 T A -0.2510
258 Y A -0.0904
259 N A -1.2162
260 C A -0.3642
261 Q A -1.1534
262 C A -0.0804
263 P A -0.0756
264 P A -0.3662
265 E A -0.5768
266 W A -0.0072
267 T A -0.2155
268 G A -0.3547
269 Q A -1.1695
270 F A 0.0827
271 C A 0.0000
272 T A -0.3894
273 E A -1.9184
274 D A -0.7401
275 V A 0.0258
276 D A -0.5091
277 E A -0.2110
278 C A -0.1612
279 Q A -0.8957
280 L A 1.0806
281 Q A -0.9625
282 P A -0.7008
283 N A -1.3180
284 A A -0.2232
285 C A 0.0000
286 H A -0.6045
287 N A -0.9643
288 G A -0.6214
289 G A -0.1352
290 T A -0.0140
291 C A 0.2484
292 F A 0.5708
293 N A -0.5413
294 T A 0.0904
295 L A 1.5077
296 G A 0.1036
297 G A -0.1619
298 H A -0.4789
299 S A -0.2477
300 C A 0.1104
301 V A 0.2486
302 C A 0.1734
303 V A 0.2520
304 N A -0.1130
305 G A 0.0000
306 W A 0.1215
307 T A -0.0324
308 G A -0.5725
309 E A -1.8755
310 S A -0.3980
311 C A 0.0000
312 S A -0.4319
313 Q A -1.3368
314 N A -0.5688
315 I A 0.5138
316 D A -1.5290
317 D A -0.7103
318 C A 0.0585
319 A A 0.0687
320 T A -0.0589
321 A A 0.3384
322 V A 1.7917
323 C A 0.6422
324 F A 0.7907
325 H A -0.8991
326 G A -0.6450
327 A A -0.0567
328 T A -0.0370
329 C A 0.0798
330 H A -0.4202
331 D A -0.7482
332 R A -1.6812
333 V A 0.9654
334 A A 0.2168
335 S A -0.1799
336 F A 0.5286
337 Y A 1.2319
338 C A 0.3091
339 A A 0.0975
340 C A 0.2953
341 P A 0.1487
342 M A 1.0230
343 G A 0.0162
344 K A -0.6564
345 T A -0.0889
346 G A 0.1856
347 L A 1.6038
348 L A 0.6551
349 C A 0.0000
350 H A -0.4078
351 L A -0.1938
352 D A -1.8698
353 D A -0.7863
354 A A -0.0469
355 C A 0.3474
356 V A 1.3802
357 S A -0.1859
358 N A -1.3328
359 P A -0.3357
360 C A 0.0147
361 H A -0.5266
362 E A -2.1830
363 D A -2.1186
364 A A 0.0739
365 I A 2.0442
366 C A 0.2182
367 D A -1.7592
368 T A 0.0000
369 N A -0.3829
370 P A -0.0049
371 V A 1.4952
372 N A -0.9640
373 G A -0.6411
374 R A -1.8578
375 A A 0.0000
376 I A 0.9138
377 C A 0.2682
378 T A 0.0231
379 C A 0.1718
380 P A -0.0404
381 P A -0.2698
382 G A -0.0417
383 F A 0.1676
384 T A -0.1839
385 G A -0.4767
386 G A -0.5325
387 A A -0.0506
388 C A 0.0000
389 D A -2.0080
390 Q A -1.6021
391 D A -0.5360
392 V A 0.0709
393 D A -0.8091
394 E A -0.4366
395 C A 0.0620
396 S A 0.1796
397 I A 1.8879
398 G A -0.0836
399 A A -0.2399
400 N A -1.1540
401 P A -0.2401
402 C A 0.0000
403 E A -1.6925
404 H A -0.4446
405 L A 1.4702
406 G A 0.0000
407 R A -1.9670
408 C A 0.0000
409 V A 0.4290
410 N A -0.2642
411 T A -0.2644
412 Q A -1.2168
413 G A -0.3296
414 S A -0.0535
415 F A 0.7649
416 L A 1.5461
417 C A 0.1112
418 Q A -1.3290
419 C A -0.0371
420 G A -0.6185
421 R A -1.9123
422 G A -0.1396
423 Y A -0.0076
424 T A -0.0405
425 G A -0.2136
426 P A -0.5764
427 R A -1.6898
428 C A 0.0000
429 E A -1.4847
430 T A -0.5687
431 D A -1.2963
432 V A 0.1886
433 N A -0.6892
434 E A -0.7936
435 C A 0.2743
436 L A 1.5310
437 S A -0.0156
438 G A -0.5111
439 P A -0.1033
440 C A -0.1678
441 R A -1.9509
442 N A -1.2277
443 Q A -1.3186
444 A A -0.1973
445 T A -0.0408
446 C A 0.3078
447 L A 0.7717
448 D A -0.6624
449 R A -1.2868
450 I A 1.7448
451 G A 0.0000
452 Q A -1.2828
453 F A 0.0192
454 T A 0.0535
455 C A 0.3943
456 I A 1.7139
457 C A 0.6258
458 M A 0.5868
459 A A 0.1474
460 G A -0.2256
461 F A -0.0230
462 T A -0.0468
463 G A -0.2723
464 T A 0.0084
465 Y A 0.6835
466 C A 0.0000
467 E A -0.5768
468 V A 0.7127
469 D A -1.4008
470 I A 0.1279
471 D A -1.8351
472 E A -1.3360
473 C A -0.2970
474 Q A -1.2185
475 S A -0.4673
476 S A -0.2593
477 P A -0.0719
478 C A 0.2459
479 V A 0.8364
480 N A -0.8729
481 G A -0.6510
482 G A 0.2011
483 V A 1.7880
484 C A 0.2618
485 K A -1.5090
486 D A -2.2593
487 R A -1.8465
488 V A 1.2080
489 N A -0.9800
490 G A -0.2194
491 F A 0.4184
492 S A 0.0932
493 C A 0.1016
494 T A -0.0016
495 C A 0.1582
496 P A -0.1171
497 S A -0.2472
498 G A -0.3203
499 F A 0.0962
500 S A -0.1139
501 G A -0.5213
502 S A -0.2983
503 T A -0.0364
504 C A 0.0000
505 Q A -0.9397
506 L A 0.8773
507 D A -1.2913
508 V A 0.4303
509 D A -1.7359
510 E A -1.4711
511 C A -0.1033
512 A A 0.0374
513 S A -0.2147
514 T A -0.1129
515 P A -0.0383
516 C A 0.0000
517 R A -1.7236
518 N A -1.3020
519 G A -0.6310
520 A A -0.3520
521 K A -1.6848
522 C A -0.1744
523 V A 0.0291
524 D A -1.4494
525 Q A -1.1334
526 P A -0.7281
527 D A -1.8678
528 G A -0.3350
529 Y A 0.0520
530 E A -1.6984
531 C A -0.5529
532 R A -1.7747
533 C A -0.0497
534 A A -0.2445
535 E A -1.8150
536 G A 0.0000
537 F A -0.1234
538 E A -1.7342
539 G A -0.6797
540 T A -0.0484
541 L A 0.4690
542 C A 0.0000
543 D A -2.1150
544 R A -2.2764
545 N A -0.8171
546 V A 0.2499
547 D A -1.8072
548 D A -1.0778
549 C A -0.2403
550 S A -0.2589
551 P A -0.6259
552 D A -1.8251
553 P A -0.3342
554 C A -0.2335
555 H A -1.0637
556 H A -0.6819
557 G A -0.5192
558 R A -1.8526
559 C A 0.0354
560 V A 1.2815
561 D A -0.7669
562 G A -0.0133
563 I A 1.9881
564 A A 0.3605
565 S A -0.0628
566 F A 0.4234
567 S A -0.0815
568 C A 0.0731
569 A A 0.0994
570 C A 0.2658
571 A A 0.0328
572 P A -0.2594
573 G A -0.2623
574 Y A 0.0751
575 T A -0.0265
576 G A -0.2515
577 T A -0.2988
578 R A -1.0384
579 C A 0.0000
580 E A -1.4264
581 S A -0.5665
582 Q A -1.0979
583 V A 0.0179
584 D A -1.1894
585 E A -0.5530
586 C A -0.3024
587 R A -1.8675
588 S A -0.7690
589 Q A -1.2433
590 P A -0.2556
591 C A 0.0000
592 R A -1.9087
593 H A -0.7727
594 G A -0.5389
595 G A -0.4137
596 K A -1.7105
597 C A 0.0000
598 L A 0.2142
599 D A -1.4886
600 L A 0.7012
601 V A 1.6071
602 D A -1.7789
603 K A -1.8702
604 Y A 0.0055
605 L A 1.1216
606 C A -0.0581
607 R A -1.7783
608 C A -0.0873
609 P A -0.0968
610 S A -0.2487
611 G A -0.2135
612 T A 0.0000
613 T A -0.0891
614 G A 0.0776
615 V A 1.6873
616 N A 0.0862
617 C A 0.0000
618 E A -0.3830
619 V A 0.8364
620 N A -0.2495
621 I A 1.0006
622 D A -1.6565
623 D A -1.0590
624 C A 0.0000
625 A A 0.0208
626 S A -0.4251
627 N A -1.3215
628 P A -0.2753
629 C A 0.1424
630 T A 0.1863
631 F A 1.2553
632 G A 0.5251
633 V A 1.7802
634 C A 0.1218
635 R A -1.8967
636 D A -0.6874
637 G A -0.1667
638 I A 0.7488
639 N A -0.9886
640 R A -1.8933
641 Y A -0.1531
642 D A -1.6721
643 C A 0.0729
644 V A 1.6741
645 C A 0.2529
646 Q A -1.2096
647 P A -0.4689
648 G A 0.0000
649 F A 0.0208
650 T A -0.0107
651 G A -0.2097
652 P A -0.1444
653 L A 0.7325
654 C A 0.0000
655 N A -0.8977
656 V A 1.2206
657 E A -1.2709
658 I A 0.5017
659 N A -1.1401
660 E A -0.5558
661 C A 0.0478
662 A A 0.0379
663 S A -0.2405
664 S A -0.2607
665 P A -0.0767
666 C A 0.0443
667 G A -0.4586
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1950 N A -0.3085
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1952 V A 0.0927
1953 E A -1.7373
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5291
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1967 M A -0.0785
1968 Q A -0.6927
1969 D A 0.0000
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1971 K A -1.0025
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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 -0.8329
1982 E A -1.9402
1983 G A -0.4886
1984 S A 0.0000
1985 Y A 0.2008
1986 E A -1.4613
1987 A A 0.0000
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1989 K A -1.0314
1990 L A -0.1415
1991 L A 0.0000
1992 L A 0.0991
1993 D A -1.5347
1994 H A -0.2279
1995 F A 1.9054
1996 A A 0.0000
1997 N A -0.7762
1998 R A -0.7810
1999 E A -1.8209
2000 I A -0.0152
2001 T A -0.1499
2002 D A 0.0000
2003 H A -0.7143
2004 L A 1.0502
2005 D A -1.5831
2006 R A -0.6501
2007 L A 0.2485
2008 P A 0.0000
2009 R A -1.2846
2010 D A -1.2996
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.1260
2014 E A -2.3245
2015 R A -1.8942
2016 L A 1.0837
2017 H A -0.1096
2018 Q A -1.3019
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2264 S A -0.3501
2265 D A -1.6084
2266 W A 0.7969
2267 S A -0.4346
2268 E A -1.9127
2269 S A -0.5782
2270 T A -0.1642
2271 P A -0.3198
2272 S A -0.3263
2273 P A -0.2870
2274 A A -0.0067
2275 T A -0.0458
2276 A A 0.0279
2277 T A -0.1417
2278 G A -0.4649
2279 A A 0.1967
2280 M A 1.0784
2281 A A 0.2430
2282 T A -0.0766
2283 T A -0.1010
2284 T A -0.1897
2285 G A -0.4681
2286 A A 0.2366
2287 L A 1.5119
2288 P A 0.0397
2289 A A -0.2620
2290 Q A -1.2317
2291 P A -0.1924
2292 L A 1.4517
2293 P A 0.3230
2294 L A 1.4535
2295 S A 0.4653
2296 V A 1.6882
2297 P A 0.0231
2298 S A -0.3082
2299 S A 0.0303
2300 L A 1.5185
2301 A A 0.1294
2302 Q A -1.1764
2303 A A -0.4438
2304 Q A -1.1979
2305 T A -0.5127
2306 Q A -0.8590
2307 L A 1.1866
2308 G A -0.2274
2309 P A -0.5875
2310 Q A -1.2943
2311 P A -0.8000
2312 E A -1.4535
2313 V A 1.3358
2314 T A 0.2181
2315 P A -0.5856
2316 K A -2.0976
2317 R A -2.4532
2318 Q A -1.3168
2319 V A 1.8625
2320 L A 1.9104
2321 A A 0.3402
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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 -0.0049 4.6676 View CSV PDB
4.5 -0.0376 4.6676 View CSV PDB
5.0 -0.0774 4.6676 View CSV PDB
5.5 -0.1185 4.6676 View CSV PDB
6.0 -0.1559 4.6676 View CSV PDB
6.5 -0.1862 4.6676 View CSV PDB
7.0 -0.2093 4.6676 View CSV PDB
7.5 -0.2275 4.6676 View CSV PDB
8.0 -0.2423 4.6676 View CSV PDB
8.5 -0.2535 4.6676 View CSV PDB
9.0 -0.2596 4.6676 View CSV PDB