Project name: C606R_5

Status: done

Started: 2026-05-19 00:27:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLRRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:43)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:14)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2f14366f7701e00/tmp/folded.pdb                (00:35:14)
[INFO]       Main:     Simulation completed successfully.                                          (01:17:14)
Show buried residues

Minimal score value
-2.6278
Maximal score value
2.6022
Average score
-0.2788
Total score value
-647.1735

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 0.9675
2 G A -0.3199
3 P A -0.4315
4 G A -0.5045
5 A A -0.4573
6 R A -1.9228
7 G A -1.1741
8 R A -2.3558
9 R A -2.5938
10 R A -2.6078
11 R A -2.6278
12 R A -2.5189
13 R A -2.2099
14 P A -0.3757
15 M A 0.9839
16 S A -0.0639
17 P A -0.3477
18 P A -0.3548
19 P A -0.3486
20 P A -0.3593
21 P A -0.3591
22 P A -0.3518
23 P A 0.0407
24 V A 1.3927
25 R A -1.5134
26 A A 0.0781
27 L A 1.5148
28 P A 0.3339
29 L A 1.7980
30 L A 2.1343
31 L A 2.1183
32 L A 2.1188
33 L A 1.8449
34 A A 0.2585
35 G A -0.5018
36 P A -0.4270
37 G A -0.5032
38 A A -0.0173
39 A A 0.0801
40 A A 0.0255
41 P A -0.2740
42 P A -0.2541
43 C A 0.3794
44 L A 1.2435
45 D A -1.5895
46 G A -0.8348
47 S A -0.3037
48 P A -0.0521
49 C A -0.1420
50 A A -0.1249
51 N A -0.9735
52 G A -0.6281
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1373
57 Q A -0.4996
58 L A 0.6834
59 P A -0.1404
60 S A -0.5858
61 R A -2.2163
62 E A -2.1573
63 A A -0.4080
64 A A 0.0267
65 C A 0.3730
66 L A 1.6073
67 C A 0.5123
68 P A -0.0702
69 P A -0.2803
70 G A -0.0911
71 W A 0.0725
72 V A 0.2839
73 G A -0.3611
74 E A -2.1249
75 R A -1.9443
76 C A 0.0000
77 Q A -0.5687
78 L A -0.1905
79 E A -1.7815
80 D A -0.5928
81 P A -0.0736
82 C A -0.0769
83 H A -1.0090
84 S A -0.4764
85 G A -0.5158
86 P A -0.1334
87 C A -0.0028
88 A A 0.0038
89 G A -0.5325
90 R A -1.8929
91 G A -0.0469
92 V A 1.7836
93 C A 0.3777
94 Q A -0.4382
95 S A -0.0900
96 S A -0.0933
97 V A 0.9162
98 V A 1.8637
99 A A 0.2919
100 G A -0.4644
101 T A -0.1320
102 A A 0.0000
103 R A -1.6337
104 F A 0.2911
105 S A -0.0729
106 C A -0.2855
107 R A -1.7858
108 C A -0.1336
109 P A -0.3483
110 R A -1.8663
111 G A -0.2631
112 F A 0.7955
113 R A -0.3197
114 G A -0.2715
115 P A -0.3995
116 D A -0.7015
117 C A 0.0000
118 S A 0.0143
119 L A 0.8452
120 P A -0.0093
121 D A -0.2890
122 P A -0.0594
123 C A 0.2403
124 L A 0.9138
125 S A -0.0800
126 S A -0.2591
127 P A -0.0704
128 C A 0.0677
129 A A -0.1202
130 H A -0.8855
131 G A -0.6091
132 A A -0.3912
133 R A -1.8265
134 C A -0.2757
135 S A -0.0427
136 V A 0.5428
137 G A 0.0000
138 P A -0.5790
139 D A -1.8504
140 G A -0.6666
141 R A -1.4218
142 F A 0.2205
143 L A 0.8476
144 C A 0.2142
145 S A -0.1486
146 C A 0.1987
147 P A -0.0734
148 P A -0.2772
149 G A -0.0813
150 Y A -0.1557
151 Q A -1.2558
152 G A -1.0320
153 R A -1.9405
154 S A -0.3776
155 C A 0.0000
156 R A -1.8835
157 S A -0.6831
158 D A -0.6576
159 V A 0.0962
160 D A -0.4567
161 E A -0.8359
162 C A -0.3518
163 R A -1.4989
164 V A 1.3951
165 G A -0.2314
166 E A -1.8714
167 P A -0.3866
168 C A 0.0000
169 R A -1.9927
170 H A -1.2383
171 G A -0.6241
172 G A -0.1230
173 T A -0.0582
174 C A 0.2328
175 L A 0.5085
176 N A -0.4082
177 T A -0.1108
178 P A -0.2705
179 G A -0.1598
180 S A -0.0843
181 F A -0.0238
182 R A -1.7486
183 C A -0.4580
184 Q A -1.1389
185 C A -0.0160
186 P A -0.0536
187 A A 0.0209
188 G A -0.0145
189 Y A 0.3333
190 T A 0.0182
191 G A -0.2258
192 P A -0.2128
193 L A 0.3687
194 C A 0.0000
195 E A -0.7160
196 N A -1.2916
197 P A -0.4045
198 A A 0.3086
199 V A 1.6285
200 P A 0.3003
201 C A 0.1340
202 A A -0.0116
203 P A -0.2680
204 S A -0.1842
205 P A -0.0968
206 C A -0.3114
207 R A -1.9885
208 N A -1.2783
209 G A -0.6279
210 G A -0.1146
211 T A -0.0603
212 C A -0.2459
213 R A -2.0521
214 Q A -1.5213
215 S A -0.4070
216 G A -0.5262
217 D A -1.5723
218 L A 1.0330
219 T A 0.2499
220 Y A -0.1051
221 D A -1.7073
222 C A 0.0000
223 A A 0.0697
224 C A 0.3775
225 L A 0.8280
226 P A -0.1135
227 G A -0.2775
228 F A -0.1673
229 E A -1.8181
230 G A -0.7777
231 Q A -1.2820
232 N A -0.4460
233 C A 0.0000
234 E A -0.3615
235 V A 1.0166
236 N A -0.0218
237 V A 0.3285
238 D A -1.7443
239 D A -0.8112
240 C A -0.0441
241 P A -0.3240
242 G A -0.6003
243 H A -0.9015
244 R A -1.9189
245 C A 0.0143
246 L A 1.1950
247 N A -0.6600
248 G A -0.6221
249 G A -0.1191
250 T A -0.0395
251 C A 0.3421
252 V A 1.1673
253 D A -0.4147
254 G A 0.0799
255 V A 1.5225
256 N A -0.9289
257 T A -0.2514
258 Y A -0.1162
259 N A -1.2161
260 C A -0.3668
261 Q A -1.1555
262 C A -0.0842
263 P A -0.0701
264 P A -0.3754
265 E A -0.6536
266 W A -0.0090
267 T A -0.0604
268 G A -0.5400
269 Q A -1.2068
270 F A 0.0675
271 C A 0.0000
272 T A -0.4033
273 E A -1.9081
274 D A -0.6953
275 V A 0.0092
276 D A -0.4964
277 E A -0.1646
278 C A -0.1530
279 Q A -0.8965
280 L A 1.0843
281 Q A -0.9619
282 P A -0.7004
283 N A -1.3177
284 A A -0.2219
285 C A 0.0000
286 H A -0.9819
287 N A -1.0285
288 G A -0.6199
289 G A -0.1287
290 T A -0.0463
291 C A 0.4599
292 F A 1.7347
293 N A -0.3187
294 T A 0.0698
295 L A 1.5057
296 G A 0.0449
297 G A -0.1741
298 H A -0.5050
299 S A -0.2612
300 C A 0.3959
301 V A 1.8256
302 C A 0.6822
303 V A 0.7409
304 N A -1.1014
305 G A 0.0000
306 W A 0.1268
307 T A -0.0364
308 G A -0.5450
309 E A -1.8712
310 S A -0.4018
311 C A 0.0000
312 S A -0.4051
313 Q A -1.2965
314 N A -0.3785
315 I A 0.5418
316 D A -1.6574
317 D A -0.8110
318 C A 0.0407
319 A A 0.0678
320 T A -0.0586
321 A A 0.3365
322 V A 1.7958
323 C A 0.6565
324 F A 0.8167
325 H A -0.8969
326 G A -0.6440
327 A A -0.0600
328 T A -0.0389
329 C A 0.0813
330 H A -0.4306
331 D A -0.7883
332 R A -1.7049
333 V A 0.9090
334 A A 0.2347
335 S A -0.2298
336 F A 0.5214
337 Y A 1.2204
338 C A 0.0000
339 A A 0.0785
340 C A 0.2653
341 P A 0.1531
342 M A 1.0183
343 G A -0.0552
344 K A -0.8512
345 T A -0.1276
346 G A 0.1947
347 L A 1.5919
348 L A 0.6229
349 C A 0.0000
350 H A -0.4424
351 L A -0.2093
352 D A -1.9045
353 D A -0.8497
354 A A -0.0534
355 C A 0.3403
356 V A 1.3306
357 S A -0.1940
358 N A -1.3307
359 P A -0.3252
360 C A 0.0207
361 H A -0.5337
362 E A -2.1834
363 D A -2.1175
364 A A 0.0751
365 I A 2.0419
366 C A 0.2089
367 D A -1.7616
368 T A 0.0000
369 N A -0.3358
370 P A 0.0120
371 V A 1.4958
372 N A -0.9742
373 G A -0.6872
374 R A -1.8670
375 A A 0.0000
376 I A 1.0892
377 C A 0.2987
378 T A -0.0152
379 C A 0.1880
380 P A -0.0349
381 P A -0.2696
382 G A -0.0421
383 F A 0.1717
384 T A -0.0657
385 G A -0.4867
386 G A -0.5348
387 A A -0.0534
388 C A 0.0000
389 D A -2.0067
390 Q A -1.5985
391 D A -0.5501
392 V A 0.0504
393 D A -0.8381
394 E A -0.4553
395 C A 0.0070
396 S A 0.1710
397 I A 1.8875
398 G A -0.0826
399 A A -0.2325
400 N A -1.1179
401 P A -0.2305
402 C A 0.0000
403 E A -1.6158
404 H A -0.6675
405 L A 1.4252
406 G A 0.0000
407 R A -1.9670
408 C A 0.0000
409 V A 0.5654
410 N A -0.2489
411 T A -0.2666
412 Q A -1.2169
413 G A -0.3291
414 S A -0.0588
415 F A 0.7371
416 L A 1.3549
417 C A 0.0795
418 Q A -1.3279
419 C A -0.0288
420 G A -0.5912
421 R A -1.9079
422 G A -0.1656
423 Y A -0.0286
424 T A 0.0004
425 G A -0.1229
426 P A -0.5196
427 R A -1.4520
428 C A 0.0000
429 E A -1.0810
430 T A -0.5587
431 D A -1.6654
432 V A 0.1348
433 N A -0.6773
434 E A -0.8967
435 C A 0.2374
436 L A 1.5278
437 S A -0.0145
438 G A -0.5117
439 P A -0.1063
440 C A -0.1454
441 R A -1.9526
442 N A -1.2357
443 Q A -1.3197
444 A A -0.1996
445 T A -0.0413
446 C A 0.2565
447 L A 0.4059
448 D A -1.1978
449 R A -1.0758
450 I A 1.5142
451 G A 0.0000
452 Q A -1.1242
453 F A 0.0033
454 T A 0.0555
455 C A 0.4179
456 I A 1.8580
457 C A 0.6650
458 M A 0.6606
459 A A 0.1701
460 G A 0.0000
461 F A -0.0465
462 T A -0.0509
463 G A -0.2573
464 T A 0.0428
465 Y A 0.8651
466 C A 0.0000
467 E A -0.4453
468 V A 0.7226
469 D A -1.3771
470 I A 0.2853
471 D A -1.6502
472 E A -0.6892
473 C A -0.1881
474 Q A -1.2195
475 S A -0.4680
476 S A -0.2589
477 P A -0.0706
478 C A 0.2523
479 V A 0.9116
480 N A -0.7566
481 G A -0.6326
482 G A 0.2024
483 V A 1.7876
484 C A 0.2332
485 K A -1.6519
486 D A -2.2706
487 R A -1.8419
488 V A 1.2035
489 N A -0.9703
490 G A -0.1978
491 F A 0.5504
492 S A 0.1181
493 C A 0.1060
494 T A 0.0031
495 C A 0.1495
496 P A -0.1082
497 S A -0.2437
498 G A -0.2965
499 F A -0.0177
500 S A 0.0142
501 G A -0.4341
502 S A -0.2835
503 T A -0.0432
504 C A 0.0000
505 Q A -0.9558
506 L A 0.7885
507 D A -1.4000
508 V A -0.0396
509 D A -1.8494
510 E A -1.2572
511 C A -0.0613
512 A A 0.0380
513 S A -0.2149
514 T A -0.1131
515 P A -0.0376
516 C A 0.0000
517 R A -1.5980
518 N A -1.2745
519 G A -0.6316
520 A A -0.3538
521 K A -1.6843
522 C A -0.1375
523 V A 0.3597
524 D A -0.7057
525 Q A -0.9606
526 P A -0.7283
527 D A -1.8658
528 G A -0.3364
529 Y A 0.1179
530 E A -1.1370
531 C A -0.4805
532 R A -1.7828
533 C A -0.0835
534 A A -0.2610
535 E A -1.8268
536 G A -0.3257
537 F A 0.0264
538 E A -1.2796
539 G A -0.5476
540 T A -0.0416
541 L A 0.4542
542 C A 0.0000
543 D A -2.1184
544 R A -2.2382
545 N A -0.5549
546 V A 0.4348
547 D A -1.6657
548 D A -0.9724
549 C A -0.2639
550 S A -0.2656
551 P A -0.6305
552 D A -1.8270
553 P A -0.3478
554 C A 0.0000
555 H A -1.0745
556 H A -0.6710
557 G A -0.5076
558 R A -1.8465
559 C A -0.0134
560 V A 1.0340
561 D A -0.6524
562 G A 0.0403
563 I A 1.9943
564 A A 0.3592
565 S A -0.0793
566 F A 0.3404
567 S A -0.0990
568 C A 0.0783
569 A A -0.0810
570 C A 0.2557
571 A A 0.0297
572 P A -0.2592
573 G A -0.2762
574 Y A 0.0763
575 T A -0.0597
576 G A -0.2940
577 T A -0.2973
578 R A -1.0047
579 C A 0.0000
580 E A -1.7166
581 S A -0.5886
582 Q A -0.6837
583 V A 0.3058
584 D A -1.1385
585 E A -0.5840
586 C A -0.3274
587 R A -1.8700
588 S A -0.7644
589 Q A -1.2418
590 P A -0.2466
591 C A 0.0000
592 R A -1.9180
593 H A -0.8236
594 G A -0.5473
595 G A -0.4073
596 K A -1.6854
597 C A -0.2742
598 L A 0.5174
599 D A -0.6216
600 L A 0.4720
601 V A 1.5374
602 D A -1.7757
603 K A -1.8928
604 Y A 0.1612
605 L A 0.7332
606 R A -1.9943
607 R A -2.1273
608 C A -0.0778
609 P A -0.0824
610 S A -0.2406
611 G A -0.2552
612 T A 0.0000
613 T A 0.0331
614 G A 0.1548
615 V A 1.7131
616 N A 0.1547
617 C A 0.0000
618 E A -0.5929
619 V A 0.7803
620 N A -0.1681
621 I A 1.3571
622 D A -1.6206
623 D A -1.2536
624 C A 0.0000
625 A A 0.0208
626 S A -0.4298
627 N A -1.3215
628 P A -0.2729
629 C A 0.1145
630 T A 0.1267
631 F A 0.9911
632 G A 0.3798
633 V A 1.7816
634 C A 0.1336
635 R A -1.9106
636 D A -0.7511
637 G A -0.1924
638 I A 0.7465
639 N A -1.4287
640 R A -1.9662
641 Y A -0.0970
642 D A -1.6538
643 C A -0.0995
644 V A 0.6705
645 C A 0.1207
646 Q A -0.8069
647 P A -0.5356
648 G A 0.0000
649 F A -0.0436
650 T A -0.0273
651 G A -0.2167
652 P A -0.1788
653 L A 0.5430
654 C A 0.0000
655 N A -1.0661
656 V A 0.6074
657 E A -1.3749
658 I A 0.5404
659 N A -1.1170
660 E A -0.4866
661 C A 0.1143
662 A A 0.0478
663 S A -0.2411
664 S A -0.2604
665 P A -0.0715
666 C A 0.0439
667 G A -0.4939
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1941 S A 0.0000
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1950 N A -0.2863
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1953 E A -1.7217
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5303
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1960 K A -1.9031
1961 N A -1.6666
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1967 M A -0.0660
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1969 D A 0.0000
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1971 K A -1.0568
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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 -0.6875
1982 E A -1.5903
1983 G A -0.4287
1984 S A 0.0000
1985 Y A 0.4149
1986 E A -0.9069
1987 A A 0.0000
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1989 K A -0.8605
1990 L A 0.0291
1991 L A 0.0000
1992 L A 0.0547
1993 D A -1.8137
1994 H A -0.2747
1995 F A 1.9060
1996 A A 0.0000
1997 N A -0.4402
1998 R A -0.7927
1999 E A -1.7958
2000 I A 0.0064
2001 T A -0.1031
2002 D A 0.0000
2003 H A -0.7148
2004 L A 1.0525
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2006 R A -0.7027
2007 L A 0.3268
2008 P A 0.0000
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2010 D A -1.3548
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0624
2014 E A -2.2089
2015 R A -1.3237
2016 L A 1.1915
2017 H A -0.1351
2018 Q A -1.4767
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2021 V A 0.0000
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2265 D A -1.5834
2266 W A 0.7682
2267 S A -0.2918
2268 E A -1.9081
2269 S A -0.6354
2270 T A -0.1731
2271 P A -0.3136
2272 S A -0.3141
2273 P A -0.2832
2274 A A -0.0190
2275 T A -0.0472
2276 A A 0.0278
2277 T A -0.1482
2278 G A -0.4645
2279 A A 0.1280
2280 M A 1.0789
2281 A A 0.3115
2282 T A -0.0761
2283 T A -0.1003
2284 T A -0.2017
2285 G A -0.4727
2286 A A 0.2680
2287 L A 1.5057
2288 P A 0.0800
2289 A A -0.2179
2290 Q A -1.2484
2291 P A -0.2266
2292 L A 1.4484
2293 P A 0.3237
2294 L A 1.4585
2295 S A 0.4241
2296 V A 1.6824
2297 P A 0.0494
2298 S A -0.3037
2299 S A 0.1135
2300 L A 1.5088
2301 A A 0.1384
2302 Q A -1.1752
2303 A A -0.4092
2304 Q A -1.2012
2305 T A -0.5977
2306 Q A -0.9186
2307 L A 1.2201
2308 G A -0.1921
2309 P A -0.5655
2310 Q A -1.2920
2311 P A -0.8242
2312 E A -1.5436
2313 V A 1.4259
2314 T A 0.2072
2315 P A -0.5875
2316 K A -2.0945
2317 R A -2.3859
2318 Q A -1.2151
2319 V A 1.8410
2320 L A 1.8887
2321 A A 0.3484
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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 0.001 4.9572 View CSV PDB
4.5 -0.0312 4.9572 View CSV PDB
5.0 -0.0704 4.9572 View CSV PDB
5.5 -0.111 4.9572 View CSV PDB
6.0 -0.1478 4.9572 View CSV PDB
6.5 -0.1778 4.9572 View CSV PDB
7.0 -0.2006 4.9572 View CSV PDB
7.5 -0.2186 4.9572 View CSV PDB
8.0 -0.2333 4.9572 View CSV PDB
8.5 -0.2443 4.9572 View CSV PDB
9.0 -0.2504 4.9572 View CSV PDB