Project name: D1171V_10

Status: done

Started: 2026-06-12 13:47:27
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:24:38)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/7a3428394d0d5f8/tmp/folded.pdb                (00:24:38)
[INFO]       Main:     Simulation completed successfully.                                          (01:16:21)
Show buried residues

Minimal score value
-4.7077
Maximal score value
5.5422
Average score
-0.7619
Total score value
-1768.3576

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 0.7641
2 G A -0.1766
3 P A -0.4635
4 G A -1.1353
5 A A -1.3396
6 R A -2.7784
7 G A -2.6979
8 R A -3.7819
9 R A -4.4674
10 R A -4.5106
11 R A -4.4215
12 R A -4.1202
13 R A -3.2426
14 P A -1.3687
15 M A 0.0311
16 S A -0.1732
17 P A -0.3598
18 P A -0.5117
19 P A -0.6836
20 P A -0.6932
21 P A -0.3872
22 P A -0.3397
23 P A -0.0864
24 V A 0.8709
25 R A -0.6409
26 A A 0.7447
27 L A 2.1009
28 P A 2.0325
29 L A 3.7761
30 L A 4.1769
31 L A 4.0419
32 L A 3.7988
33 L A 3.2491
34 A A 1.5709
35 G A 0.2371
36 P A -0.2878
37 G A -0.6755
38 A A -0.3107
39 A A -0.1635
40 A A -0.3069
41 P A -0.9899
42 P A -0.7150
43 C A -0.5276
44 L A 0.5107
45 D A -0.6814
46 G A -0.5761
47 S A -0.4299
48 P A -0.7134
49 C A -1.0952
50 A A -1.1833
51 N A -1.6060
52 G A -1.2372
53 G A -1.1819
54 R A -1.5328
55 C A -0.0079
56 T A -0.6644
57 Q A -1.7889
58 L A -1.1962
59 P A -1.3517
60 S A -1.8213
61 R A -3.0760
62 E A -2.8026
63 A A 0.0000
64 A A -0.9337
65 C A 0.0000
66 L A 0.2193
67 C A -0.2461
68 P A -0.3397
69 P A -0.5151
70 G A -1.0195
71 W A -0.8657
72 V A -0.7957
73 G A -0.8675
74 E A -1.9072
75 R A -1.6282
76 C A 0.0000
77 Q A -1.5080
78 L A -1.3854
79 E A -2.3056
80 D A -1.6339
81 P A -1.4177
82 C A -1.0110
83 H A -1.5463
84 S A -1.1496
85 G A -0.8714
86 P A -0.5661
87 C A -0.7626
88 A A -0.4975
89 G A -0.9161
90 R A -1.6163
91 G A -1.0391
92 V A 0.4618
93 C A -0.3063
94 Q A -0.9188
95 S A -0.5622
96 S A -0.0392
97 V A 0.8117
98 V A 1.6379
99 A A 0.6572
100 G A -0.1610
101 T A -0.1756
102 A A 0.0000
103 R A -1.3993
104 F A -0.6431
105 S A -0.8651
106 C A -0.9527
107 R A -1.7373
108 C A -1.0410
109 P A -1.2118
110 R A -1.7384
111 G A -0.3495
112 F A -0.2643
113 R A -0.6292
114 G A -0.5284
115 P A -0.7564
116 D A -0.7634
117 C A 0.0000
118 S A -0.2519
119 L A 0.4551
120 P A -0.1069
121 D A -0.1667
122 P A 0.0731
123 C A 0.2787
124 L A 0.6692
125 S A 0.2252
126 S A -0.1732
127 P A -0.3986
128 C A -1.1654
129 A A -1.5237
130 H A -1.6560
131 G A -1.3002
132 A A -1.4527
133 R A -1.8938
134 C A 0.0000
135 S A -0.1551
136 V A 0.0152
137 G A -0.6930
138 P A -1.2228
139 D A -2.2611
140 G A -1.5021
141 R A -1.9487
142 F A -0.5346
143 L A 0.0191
144 C A -0.7939
145 S A -0.9415
146 C A -1.2981
147 P A -0.8013
148 P A -0.4804
149 G A -0.8916
150 Y A -1.7740
151 Q A -2.4017
152 G A -2.4489
153 R A -2.3716
154 S A -1.9113
155 C A 0.0000
156 R A -2.8900
157 S A -2.2380
158 D A -1.8459
159 V A -1.2523
160 D A -1.3354
161 E A -1.5711
162 C A -1.4802
163 R A -1.8422
164 V A 0.0655
165 G A -1.0327
166 E A -2.3801
167 P A -1.7217
168 C A 0.0000
169 R A -2.9387
170 H A -2.2325
171 G A -1.7460
172 G A -1.7673
173 T A -1.2401
174 C A -1.3704
175 L A -0.3545
176 N A -1.1824
177 T A -0.7934
178 P A -0.9706
179 G A -1.0968
180 S A -0.8347
181 F A -0.9676
182 R A -1.8446
183 C A -1.5966
184 Q A -1.3392
185 C A -1.3572
186 P A -0.6749
187 A A 0.0827
188 G A 0.0632
189 Y A -0.6496
190 T A -0.8005
191 G A -1.2273
192 P A -1.1668
193 L A -1.4825
194 C A 0.0000
195 E A -1.9694
196 N A -1.6759
197 P A -0.6208
198 A A 0.2468
199 V A 0.8921
200 P A -0.0923
201 C A -0.2758
202 A A 0.1776
203 P A -0.0421
204 S A -0.7452
205 P A -1.1276
206 C A 0.0000
207 R A -2.7747
208 N A -1.8027
209 G A -1.2711
210 G A -1.4859
211 T A -1.1905
212 C A -1.8516
213 R A -2.9348
214 Q A -2.4096
215 S A -1.7371
216 G A -1.3641
217 D A -1.1365
218 L A 0.7216
219 T A -0.4964
220 Y A -1.5866
221 D A -2.8073
222 C A 0.0000
223 A A -0.9149
224 C A -0.7655
225 L A 0.2140
226 P A -0.0004
227 G A -0.4109
228 F A -0.9888
229 E A -2.0146
230 G A -1.8280
231 Q A -2.3180
232 N A -2.2067
233 C A 0.0000
234 E A -1.8395
235 V A -0.6776
236 N A -0.6353
237 V A -0.8936
238 D A -1.6641
239 D A -1.6448
240 C A -1.5737
241 P A -1.3245
242 G A -1.3102
243 H A -1.6038
244 R A -2.1003
245 C A 0.0000
246 L A 0.0822
247 N A -0.8178
248 G A -0.5929
249 G A -0.8150
250 T A -0.6721
251 C A -0.8447
252 V A -0.4311
253 D A -1.0300
254 G A -0.3496
255 V A 0.6459
256 N A -0.7902
257 T A -0.7578
258 Y A -1.3222
259 N A -1.8603
260 C A -1.3613
261 Q A -1.4202
262 C A -1.1175
263 P A -0.6285
264 P A -0.7053
265 E A -1.1516
266 W A -1.0868
267 T A -1.4813
268 G A -1.6732
269 Q A -1.9593
270 F A -1.4019
271 C A 0.0000
272 T A -1.2208
273 E A -2.0255
274 D A -1.2402
275 V A -0.8242
276 D A -0.9091
277 E A -1.0950
278 C A -0.8818
279 Q A -1.1391
280 L A -0.0199
281 Q A -1.4768
282 P A -1.4946
283 N A -2.1302
284 A A -1.4522
285 C A 0.0000
286 H A -2.0219
287 N A -1.6959
288 G A -1.3486
289 G A -0.5676
290 T A 0.1367
291 C A 0.0950
292 F A 0.9890
293 N A -0.2331
294 T A 0.3335
295 L A 0.7923
296 G A -0.3589
297 G A -0.2093
298 H A -0.4304
299 S A -0.1520
300 C A 0.2040
301 V A 1.0747
302 C A -0.2006
303 V A -0.6024
304 N A -0.7871
305 G A 0.0000
306 W A -0.6785
307 T A -0.9744
308 G A -1.3179
309 E A -2.0751
310 S A -1.5431
311 C A 0.0000
312 S A -1.5453
313 Q A -1.7347
314 N A -1.3167
315 I A -0.7124
316 D A -1.8827
317 D A -1.0380
318 C A -0.4980
319 A A -0.2287
320 T A 0.1845
321 A A 0.8330
322 V A 1.9725
323 C A 1.6924
324 F A 1.0358
325 H A -0.7978
326 G A -0.4810
327 A A 0.2758
328 T A 0.2158
329 C A 0.2260
330 H A -0.8938
331 D A -1.7092
332 R A -1.6723
333 V A -0.4135
334 A A -0.2687
335 S A -0.3002
336 F A 0.2098
337 Y A 1.1626
338 C A 0.0000
339 A A 0.7132
340 C A 0.6356
341 P A 0.2179
342 M A 0.8841
343 G A -0.0285
344 K A -0.8400
345 T A -0.5947
346 G A 0.4424
347 L A 2.1937
348 L A 1.7135
349 C A 0.0000
350 H A -0.2856
351 L A -1.2044
352 D A -2.4225
353 D A -1.5818
354 A A -1.4225
355 C A -0.4623
356 V A 0.7532
357 S A -0.1431
358 N A -1.0445
359 P A -1.0643
360 C A -1.2985
361 H A -2.1072
362 E A -2.8318
363 D A -2.1792
364 A A -0.8349
365 I A 0.9817
366 C A -0.1984
367 D A -1.3114
368 T A 0.0000
369 N A -1.2711
370 P A -0.3335
371 V A 0.8289
372 N A -1.3517
373 G A -2.0081
374 R A -2.4578
375 A A -1.3606
376 I A -0.0142
377 C A -0.2074
378 T A 0.3714
379 C A -0.2912
380 P A 0.0000
381 P A -0.4306
382 G A -0.7228
383 F A -1.4335
384 T A -1.2114
385 G A -1.3918
386 G A -0.9516
387 A A -1.2797
388 C A 0.0000
389 D A -2.8966
390 Q A -2.5772
391 D A -1.9739
392 V A -0.9100
393 D A -1.0051
394 E A -0.2229
395 C A -0.1856
396 S A 0.1401
397 I A 1.3033
398 G A 0.0850
399 A A -0.4521
400 N A -1.3739
401 P A -0.9127
402 C A 0.0000
403 E A -2.2058
404 H A -1.2961
405 L A -0.0069
406 G A 0.0000
407 R A -2.0555
408 C A 0.0000
409 V A 0.0235
410 N A -0.4639
411 T A -0.4442
412 Q A -1.6877
413 G A -1.4464
414 S A -0.2898
415 F A 0.1724
416 L A 0.6977
417 C A -0.8999
418 Q A -1.5384
419 C A -1.7678
420 G A -1.3206
421 R A -1.9845
422 G A -1.4369
423 Y A -1.3270
424 T A -1.5115
425 G A -1.3318
426 P A -1.0115
427 R A -2.1611
428 C A 0.0000
429 E A -2.2615
430 T A -1.6822
431 D A -2.0149
432 V A -1.0711
433 N A -1.1031
434 E A -1.1848
435 C A -0.4114
436 L A 0.8421
437 S A 0.0748
438 G A -0.5679
439 P A -0.4102
440 C A -0.8145
441 R A -2.3626
442 N A -1.9392
443 Q A -1.8139
444 A A -0.4384
445 T A 0.1909
446 C A 0.1235
447 L A -0.2153
448 D A -1.7956
449 R A -2.0427
450 I A -0.4391
451 G A 0.0000
452 Q A -1.7915
453 F A -0.9065
454 T A -0.0680
455 C A 0.7512
456 I A 2.0781
457 C A 0.6728
458 M A 0.2740
459 A A 0.3039
460 G A -0.8416
461 F A -0.2804
462 T A -0.0441
463 G A -0.0138
464 T A 0.2822
465 Y A 0.2549
466 C A 0.0000
467 E A -1.1422
468 V A -0.3257
469 D A -1.8734
470 I A -1.6026
471 D A -3.3261
472 E A -3.1061
473 C A -2.2780
474 Q A -2.2828
475 S A -1.3550
476 S A -0.6706
477 P A -0.1602
478 C A 0.2883
479 V A 0.5665
480 N A -0.7171
481 G A -0.2620
482 G A 0.3597
483 V A 1.2188
484 C A -0.6105
485 K A -2.4109
486 D A -3.7380
487 R A -2.9768
488 V A -0.6843
489 N A -1.5337
490 G A -1.5607
491 F A -1.7470
492 S A -0.9078
493 C A 0.1643
494 T A 0.3510
495 C A 0.3610
496 P A -0.3159
497 S A -0.9281
498 G A -1.8997
499 F A -1.1447
500 S A -0.6229
501 G A -0.5076
502 S A -0.2210
503 T A 0.0582
504 C A 0.0000
505 Q A -0.9817
506 L A -0.3475
507 D A -2.5184
508 V A -1.9345
509 D A -2.8520
510 E A -2.7577
511 C A -1.7535
512 A A -0.9969
513 S A -0.7151
514 T A -1.0095
515 P A -1.0665
516 C A 0.0000
517 R A -3.1134
518 N A -2.5473
519 G A -2.1064
520 A A -2.7993
521 K A -2.9232
522 C A -2.3997
523 V A -2.1170
524 D A -3.2934
525 Q A -2.7655
526 P A -2.3665
527 D A -2.8707
528 G A -2.2155
529 Y A -2.2367
530 E A -2.6636
531 C A -2.7067
532 R A -3.1954
533 C A -2.9716
534 A A -1.9002
535 E A -1.8243
536 G A 0.0000
537 F A -2.3690
538 E A -3.2500
539 G A -2.1862
540 T A -1.5214
541 L A -1.8629
542 C A 0.0000
543 D A -3.5674
544 R A -3.7332
545 N A -2.3135
546 V A -1.6379
547 D A -2.1608
548 D A -1.2766
549 C A -1.5287
550 S A -1.6146
551 P A -1.5981
552 D A -2.6439
553 P A -1.9374
554 C A 0.0000
555 H A -2.6009
556 H A -2.0657
557 G A -1.8075
558 R A -2.1085
559 C A 0.0000
560 V A 0.5451
561 D A -0.3891
562 G A 0.6193
563 I A 1.2634
564 A A 0.0932
565 S A 0.3332
566 F A 0.3432
567 S A 0.0448
568 C A -0.9170
569 A A -0.3270
570 C A -1.0160
571 A A -0.9006
572 P A -0.7417
573 G A -1.1231
574 Y A -1.3256
575 T A -1.2419
576 G A -1.3233
577 T A -1.0217
578 R A -2.3641
579 C A 0.0000
580 E A -2.7374
581 S A -1.9814
582 Q A -1.7992
583 V A -1.9860
584 D A -3.0262
585 E A -2.7456
586 C A -2.6076
587 R A -3.1668
588 S A -2.0563
589 Q A -2.8136
590 P A -1.6678
591 C A 0.0000
592 R A -2.8914
593 H A -1.8029
594 G A -2.1086
595 G A -2.3245
596 K A -2.8720
597 C A -1.9164
598 L A -1.1083
599 D A -1.9837
600 L A -0.2979
601 V A -0.0973
602 D A -2.2286
603 K A -1.9822
604 Y A -0.6284
605 L A 0.3297
606 C A 0.0000
607 R A -2.1230
608 C A -1.3905
609 P A -1.3411
610 S A -0.5010
611 G A -0.5680
612 T A 0.0000
613 T A 0.2230
614 G A 0.4761
615 V A 1.3676
616 N A -0.5508
617 C A 0.0000
618 E A -0.5084
619 V A 0.7333
620 N A -0.4994
621 I A 0.2263
622 D A -2.1463
623 D A -2.8713
624 C A 0.0000
625 A A -1.0973
626 S A -1.2644
627 N A -1.4933
628 P A -0.4646
629 C A 0.0975
630 T A 0.5561
631 F A 1.3187
632 G A 0.7460
633 V A 1.2682
634 C A -0.6624
635 R A -2.6795
636 D A -2.5652
637 G A -2.1318
638 I A -0.8365
639 N A -2.1309
640 R A -3.1656
641 Y A -2.6820
642 D A -2.3651
643 C A 0.0000
644 V A 0.4769
645 C A 0.2870
646 Q A -0.7183
647 P A -1.3572
648 G A -1.8268
649 F A -0.6578
650 T A 0.1205
651 G A 0.2554
652 P A -0.1946
653 L A 0.5998
654 C A 0.0000
655 N A -0.3006
656 V A 0.5621
657 E A -1.6000
658 I A -1.2607
659 N A -2.2236
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1973 E A 0.0000
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1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -2.2889
1982 E A -2.3141
1983 G A -1.6943
1984 S A 0.0000
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1987 A A 0.0000
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1990 L A -0.9562
1991 L A 0.0000
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1993 D A -1.5122
1994 H A -0.4103
1995 F A 0.6534
1996 A A 0.0000
1997 N A -0.8457
1998 R A -1.2674
1999 E A -2.0207
2000 I A -1.4319
2001 T A -1.8027
2002 D A 0.0000
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2008 P A 0.0000
2009 R A -2.9098
2010 D A -2.6755
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.3530
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2016 L A -1.0582
2017 H A -2.2226
2018 Q A -2.4581
2019 D A -2.0080
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2247 P A -0.3034
2248 S A -0.9190
2249 P A -1.4165
2250 E A -2.3790
2251 S A -1.8097
2252 P A -1.9428
2253 E A -2.4053
2254 H A -1.3351
2255 W A 0.2236
2256 A A 0.2420
2257 S A -0.0934
2258 P A -0.5130
2259 S A -0.6049
2260 P A -0.6039
2261 P A -0.2182
2262 S A 0.2621
2263 L A 0.8550
2264 S A -0.0799
2265 D A -1.0029
2266 W A -0.2484
2267 S A -0.8785
2268 E A -1.7945
2269 S A -1.2933
2270 T A -0.8025
2271 P A -0.4998
2272 S A -0.4802
2273 P A -0.4087
2274 A A -0.1393
2275 T A -0.0849
2276 A A -0.1079
2277 T A -0.2803
2278 G A -0.2333
2279 A A 0.4148
2280 M A 1.0001
2281 A A 0.5389
2282 T A 0.1173
2283 T A -0.2277
2284 T A -0.3534
2285 G A -0.1430
2286 A A 0.5640
2287 L A 1.3525
2288 P A 0.3362
2289 A A -0.5032
2290 Q A -1.0218
2291 P A -0.1081
2292 L A 1.3582
2293 P A 1.2400
2294 L A 1.9909
2295 S A 1.3597
2296 V A 1.8124
2297 P A 0.4140
2298 S A 0.2547
2299 S A 0.4982
2300 L A 1.1502
2301 A A 0.1185
2302 Q A -1.0627
2303 A A -1.1891
2304 Q A -1.7269
2305 T A -0.9640
2306 Q A -0.8501
2307 L A 0.6276
2308 G A -0.2597
2309 P A -0.8162
2310 Q A -1.7698
2311 P A -1.3800
2312 E A -1.3507
2313 V A 0.4038
2314 T A -0.4075
2315 P A -1.5538
2316 K A -2.6931
2317 R A -2.9118
2318 Q A -1.3197
2319 V A 1.3080
2320 L A 2.1759
2321 A A 1.2079
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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 -0.0656 6.7879 View CSV PDB
4.5 -0.1521 6.7202 View CSV PDB
5.0 -0.2567 6.6184 View CSV PDB
5.5 -0.3651 6.4991 View CSV PDB
6.0 -0.4646 6.381 View CSV PDB
6.5 -0.5474 6.3089 View CSV PDB
7.0 -0.6127 6.3089 View CSV PDB
7.5 -0.6655 6.3089 View CSV PDB
8.0 -0.7093 6.3089 View CSV PDB
8.5 -0.7427 6.3089 View CSV PDB
9.0 -0.7624 6.3089 View CSV PDB