Project name: D1171V_5

Status: done

Started: 2026-06-12 13:48:30
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:25:45)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8ea5bc01a7b239f/tmp/folded.pdb                (00:25:45)
[INFO]       Main:     Simulation completed successfully.                                          (01:18:09)
Show buried residues

Minimal score value
-2.5319
Maximal score value
2.256
Average score
-0.2811
Total score value
-652.3943

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 0.9645
2 G A -0.3142
3 P A -0.4316
4 G A -0.4994
5 A A -0.4059
6 R A -1.9206
7 G A -1.1573
8 R A -2.2700
9 R A -2.5319
10 R A -2.3346
11 R A -2.4891
12 R A -2.5239
13 R A -2.2236
14 P A -0.3922
15 M A 0.9666
16 S A -0.0642
17 P A -0.3397
18 P A -0.3473
19 P A -0.3474
20 P A -0.3476
21 P A -0.3477
22 P A -0.3478
23 P A 0.0271
24 V A 1.3856
25 R A -1.5064
26 A A 0.0008
27 L A 1.5124
28 P A 0.3056
29 L A 1.7841
30 L A 2.1118
31 L A 2.1116
32 L A 2.1133
33 L A 1.8416
34 A A 0.2581
35 G A -0.5018
36 P A -0.4254
37 G A -0.5024
38 A A -0.0169
39 A A 0.0775
40 A A 0.0435
41 P A -0.0632
42 P A -0.0396
43 C A 0.3509
44 L A 1.3482
45 D A -0.9750
46 G A -0.6882
47 S A -0.1891
48 P A -0.2502
49 C A -0.0299
50 A A -0.1206
51 N A -0.9425
52 G A -0.6340
53 G A -0.4414
54 R A -1.7167
55 C A 0.3804
56 T A -0.1058
57 Q A -1.0953
58 L A 0.3008
59 P A -0.1878
60 S A -0.5705
61 R A -2.2159
62 E A -2.1612
63 A A 0.0000
64 A A 0.0126
65 C A 0.0000
66 L A 1.0630
67 C A 0.3997
68 P A -0.0723
69 P A -0.2775
70 G A -0.0754
71 W A 0.0815
72 V A 0.2822
73 G A -0.3705
74 E A -1.9334
75 R A -0.8673
76 C A 0.0000
77 Q A -0.4607
78 L A -0.1852
79 E A -1.7845
80 D A -0.5853
81 P A -0.0726
82 C A -0.0766
83 H A -1.0087
84 S A -0.4775
85 G A -0.5153
86 P A -0.1300
87 C A -0.0109
88 A A 0.0098
89 G A -0.4914
90 R A -1.8851
91 G A -0.0432
92 V A 1.7896
93 C A 0.3250
94 Q A -0.8832
95 S A -0.1332
96 S A -0.0055
97 V A 1.0914
98 V A 1.9296
99 A A 0.2986
100 G A -0.4650
101 T A -0.1355
102 A A 0.0000
103 R A -1.7212
104 F A 0.2674
105 S A -0.0742
106 C A -0.2771
107 R A -1.7835
108 C A -0.1245
109 P A -0.3377
110 R A -1.8610
111 G A -0.2522
112 F A 0.7856
113 R A -0.2390
114 G A -0.2654
115 P A -0.4066
116 D A -0.7302
117 C A 0.0000
118 S A -0.0327
119 L A 0.7077
120 P A -0.0380
121 D A -0.3105
122 P A -0.0756
123 C A 0.2633
124 L A 1.0775
125 S A -0.0501
126 S A -0.2595
127 P A -0.0726
128 C A 0.0690
129 A A -0.1195
130 H A -0.8700
131 G A -0.6074
132 A A -0.3915
133 R A -1.8430
134 C A 0.0000
135 S A -0.0121
136 V A 0.6023
137 G A 0.0054
138 P A -0.5903
139 D A -1.8468
140 G A -0.7179
141 R A -1.7871
142 F A 0.2965
143 L A 1.1512
144 C A 0.2356
145 S A -0.1523
146 C A 0.1991
147 P A -0.0683
148 P A -0.2794
149 G A -0.0974
150 Y A -0.1393
151 Q A -1.2556
152 G A -1.0247
153 R A -1.9382
154 S A -0.3730
155 C A 0.0000
156 R A -1.8834
157 S A -0.6467
158 D A -0.4641
159 V A 0.1099
160 D A -0.6661
161 E A -0.9202
162 C A -0.3412
163 R A -1.4952
164 V A 1.3913
165 G A -0.2521
166 E A -1.8746
167 P A -0.3841
168 C A 0.0000
169 R A -1.9355
170 H A -1.3181
171 G A -0.6404
172 G A -0.1324
173 T A -0.0541
174 C A 0.2808
175 L A 0.7499
176 N A -0.4022
177 T A -0.1196
178 P A -0.2693
179 G A -0.1562
180 S A -0.0887
181 F A -0.0442
182 R A -1.7502
183 C A -0.4620
184 Q A -1.1488
185 C A -0.0752
186 P A -0.0644
187 A A 0.0135
188 G A -0.0530
189 Y A 0.3422
190 T A 0.0256
191 G A -0.2382
192 P A -0.2179
193 L A 0.3539
194 C A 0.0000
195 E A -0.9890
196 N A -1.2963
197 P A -0.3949
198 A A 0.2276
199 V A 1.2097
200 P A 0.2234
201 C A 0.1420
202 A A -0.0096
203 P A -0.2680
204 S A -0.1740
205 P A -0.0687
206 C A 0.0000
207 R A -1.9932
208 N A -1.2323
209 G A -0.6198
210 G A -0.1151
211 T A -0.0602
212 C A -0.2452
213 R A -2.0506
214 Q A -1.5139
215 S A -0.4051
216 G A -0.5403
217 D A -1.5422
218 L A 1.2151
219 T A 0.2941
220 Y A -0.0598
221 D A -1.6991
222 C A 0.0000
223 A A 0.0748
224 C A 0.4060
225 L A 0.9544
226 P A -0.0902
227 G A -0.2786
228 F A -0.1691
229 E A -1.8395
230 G A -0.8884
231 Q A -1.2930
232 N A -0.4011
233 C A 0.0000
234 E A -0.6269
235 V A 0.9411
236 N A -0.0201
237 V A 0.2548
238 D A -1.7532
239 D A -0.7842
240 C A -0.0412
241 P A -0.3247
242 G A -0.6006
243 H A -0.9009
244 R A -1.9316
245 C A 0.0000
246 L A 1.2435
247 N A -0.6194
248 G A -0.6174
249 G A -0.1159
250 T A -0.0617
251 C A 0.2528
252 V A 0.7759
253 D A -0.5196
254 G A 0.0812
255 V A 1.5157
256 N A -0.9738
257 T A -0.2635
258 Y A -0.1327
259 N A -1.2183
260 C A -0.3699
261 Q A -1.1467
262 C A -0.0398
263 P A -0.0651
264 P A -0.3760
265 E A -0.6327
266 W A -0.0021
267 T A -0.2566
268 G A -0.5615
269 Q A -1.2100
270 F A 0.0608
271 C A 0.0000
272 T A -0.4047
273 E A -1.8867
274 D A -0.5553
275 V A 0.0553
276 D A -0.5176
277 E A -0.2163
278 C A -0.1597
279 Q A -0.8962
280 L A 1.0800
281 Q A -0.9618
282 P A -0.7024
283 N A -1.3180
284 A A -0.2224
285 C A 0.0000
286 H A -0.8920
287 N A -0.9931
288 G A -0.6165
289 G A -0.1217
290 T A -0.0038
291 C A 0.3906
292 F A 1.3036
293 N A -0.4139
294 T A 0.0891
295 L A 1.5079
296 G A 0.1017
297 G A -0.1581
298 H A -0.4678
299 S A -0.2414
300 C A 0.2931
301 V A 1.2500
302 C A 0.4349
303 V A 0.0212
304 N A -1.2320
305 G A 0.0000
306 W A 0.1232
307 T A -0.0320
308 G A -0.5266
309 E A -1.8626
310 S A -0.3741
311 C A 0.0000
312 S A -0.4078
313 Q A -1.2982
314 N A -0.3626
315 I A 0.6899
316 D A -1.4368
317 D A -0.8484
318 C A 0.0164
319 A A 0.0661
320 T A -0.0587
321 A A 0.3367
322 V A 1.7966
323 C A 0.6702
324 F A 0.8840
325 H A -0.8834
326 G A -0.6456
327 A A -0.0598
328 T A -0.0420
329 C A 0.0622
330 H A -0.5483
331 D A -1.2992
332 R A -1.8011
333 V A 0.8734
334 A A 0.2159
335 S A -0.1859
336 F A 0.5672
337 Y A 1.4004
338 C A 0.0000
339 A A 0.0659
340 C A 0.2703
341 P A 0.1520
342 M A 1.0238
343 G A 0.0230
344 K A -0.6669
345 T A -0.0989
346 G A 0.1765
347 L A 1.5805
348 L A 0.5510
349 C A 0.0000
350 H A -0.4818
351 L A -0.2700
352 D A -1.8715
353 D A -0.7213
354 A A -0.0361
355 C A 0.3541
356 V A 1.4539
357 S A -0.1706
358 N A -1.3317
359 P A -0.3303
360 C A 0.0255
361 H A -0.4661
362 E A -2.1726
363 D A -2.1192
364 A A 0.0765
365 I A 2.0453
366 C A 0.2243
367 D A -1.7583
368 T A 0.0000
369 N A -0.2979
370 P A 0.0113
371 V A 1.4946
372 N A -0.9655
373 G A -0.6530
374 R A -1.8589
375 A A -0.1879
376 I A 0.8516
377 C A 0.2491
378 T A -0.0170
379 C A 0.1853
380 P A 0.0000
381 P A -0.2639
382 G A -0.0326
383 F A 0.1709
384 T A -0.1891
385 G A -0.4873
386 G A -0.5348
387 A A -0.0521
388 C A 0.0000
389 D A -2.0091
390 Q A -1.5869
391 D A -0.4413
392 V A 0.0534
393 D A -1.0667
394 E A -0.3916
395 C A 0.0934
396 S A 0.1803
397 I A 1.8882
398 G A -0.0836
399 A A -0.2240
400 N A -1.0444
401 P A -0.2187
402 C A 0.0000
403 E A -1.3899
404 H A -0.4645
405 L A 1.4565
406 G A 0.0000
407 R A -1.9673
408 C A 0.0000
409 V A 0.4140
410 N A -0.2548
411 T A -0.2680
412 Q A -1.2144
413 G A -0.3144
414 S A -0.0634
415 F A 0.6868
416 L A 1.4627
417 C A 0.0994
418 Q A -1.3321
419 C A -0.0512
420 G A -0.5817
421 R A -1.9051
422 G A -0.0786
423 Y A -0.0506
424 T A -0.0403
425 G A -0.2091
426 P A -0.5034
427 R A -1.2802
428 C A 0.0000
429 E A -0.9924
430 T A -0.5157
431 D A -1.4246
432 V A 0.1878
433 N A -0.6690
434 E A -0.8435
435 C A 0.2411
436 L A 1.5266
437 S A -0.0147
438 G A -0.5110
439 P A -0.1018
440 C A -0.1641
441 R A -1.9524
442 N A -1.2300
443 Q A -1.3187
444 A A -0.2022
445 T A -0.0426
446 C A 0.2557
447 L A 0.4263
448 D A -1.4067
449 R A -1.7049
450 I A 1.6033
451 G A 0.0000
452 Q A -1.1529
453 F A -0.1359
454 T A 0.0210
455 C A 0.3939
456 I A 1.7354
457 C A 0.6070
458 M A 0.5573
459 A A 0.1424
460 G A -0.2446
461 F A -0.0353
462 T A -0.0472
463 G A -0.2762
464 T A 0.0204
465 Y A 0.7550
466 C A 0.0000
467 E A -0.5661
468 V A 0.7082
469 D A -1.4024
470 I A 0.1072
471 D A -1.7419
472 E A -1.2454
473 C A -0.2908
474 Q A -1.2193
475 S A -0.4684
476 S A -0.2588
477 P A -0.0669
478 C A 0.2594
479 V A 0.9104
480 N A -0.8184
481 G A -0.6445
482 G A 0.2014
483 V A 1.7875
484 C A 0.2172
485 K A -1.7312
486 D A -2.3140
487 R A -1.7856
488 V A 1.2038
489 N A -0.9772
490 G A -0.2328
491 F A 0.1327
492 S A 0.0895
493 C A 0.0980
494 T A -0.0013
495 C A 0.1391
496 P A -0.1173
497 S A -0.2428
498 G A -0.3567
499 F A 0.0363
500 S A 0.0366
501 G A -0.3864
502 S A -0.2756
503 T A -0.0417
504 C A 0.0000
505 Q A -0.9650
506 L A 0.7050
507 D A -1.4121
508 V A -0.0955
509 D A -1.7709
510 E A -1.2473
511 C A -0.0677
512 A A 0.0366
513 S A -0.2149
514 T A -0.1158
515 P A -0.0496
516 C A 0.0000
517 R A -1.9024
518 N A -0.7395
519 G A -0.5215
520 A A -0.3587
521 K A -1.6839
522 C A -0.1492
523 V A -0.0574
524 D A -1.5689
525 Q A -0.9014
526 P A -0.6887
527 D A -1.8633
528 G A -0.4082
529 Y A -0.1745
530 E A -1.6792
531 C A -0.5755
532 R A -1.7806
533 C A -0.0924
534 A A -0.2579
535 E A -1.8153
536 G A 0.0000
537 F A -0.1439
538 E A -1.7038
539 G A -0.5808
540 T A -0.0047
541 L A 0.6156
542 C A 0.0000
543 D A -2.1244
544 R A -2.2742
545 N A -0.7233
546 V A 0.3963
547 D A -1.7612
548 D A -0.9985
549 C A -0.2685
550 S A -0.2660
551 P A -0.6345
552 D A -1.8295
553 P A -0.3507
554 C A 0.0000
555 H A -1.0763
556 H A -0.6739
557 G A -0.4955
558 R A -1.8608
559 C A 0.0000
560 V A 1.6242
561 D A -0.3989
562 G A 0.0611
563 I A 1.9934
564 A A 0.3711
565 S A -0.0295
566 F A 0.6079
567 S A -0.0513
568 C A 0.0599
569 A A -0.0732
570 C A 0.2549
571 A A 0.0100
572 P A -0.2610
573 G A -0.3441
574 Y A 0.0539
575 T A -0.0348
576 G A -0.2697
577 T A -0.3019
578 R A -1.0416
579 C A 0.0000
580 E A -1.6710
581 S A -0.6456
582 Q A -1.1314
583 V A -0.1650
584 D A -1.4528
585 E A -0.8407
586 C A -0.4675
587 R A -1.8668
588 S A -0.7699
589 Q A -1.2340
590 P A -0.2526
591 C A 0.0000
592 R A -1.9317
593 H A -0.8962
594 G A -0.5602
595 G A -0.4199
596 K A -1.6973
597 C A -0.1806
598 L A 0.1379
599 D A -1.5390
600 L A 0.6901
601 V A 1.6023
602 D A -1.7888
603 K A -1.8938
604 Y A -0.0843
605 L A 1.1986
606 C A 0.0000
607 R A -1.7991
608 C A -0.1283
609 P A -0.0937
610 S A -0.2501
611 G A -0.2728
612 T A 0.0000
613 T A -0.0766
614 G A 0.0892
615 V A 1.6786
616 N A 0.0286
617 C A 0.0000
618 E A -0.4035
619 V A 0.9219
620 N A 0.0770
621 I A 1.4855
622 D A -1.6306
623 D A -1.4156
624 C A 0.0000
625 A A 0.0199
626 S A -0.4272
627 N A -1.3203
628 P A -0.2720
629 C A 0.1449
630 T A 0.1832
631 F A 1.3229
632 G A 0.4572
633 V A 1.7846
634 C A 0.1271
635 R A -1.9031
636 D A -0.7486
637 G A -0.2398
638 I A 0.5227
639 N A -1.4707
640 R A -2.0098
641 Y A -0.2909
642 D A -1.7071
643 C A 0.0000
644 V A 0.6037
645 C A 0.0945
646 Q A -0.9274
647 P A -0.4349
648 G A -0.1242
649 F A -0.0664
650 T A 0.1426
651 G A -0.2016
652 P A -0.1498
653 L A 0.6943
654 C A 0.0000
655 N A -0.9799
656 V A 1.0671
657 E A -1.2957
658 I A 0.5050
659 N A -1.2378
660 E A -1.1406
661 C A -0.0414
662 A A 0.0415
663 S A -0.2409
664 S A -0.2613
665 P A -0.0782
666 C A 0.0439
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1914 A A 0.0000
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1916 L A 0.9101
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1918 V A 0.0000
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1930 A A 0.0000
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1932 V A -0.1928
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1936 D A 0.0000
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1938 L A 0.2055
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1940 K A -0.1988
1941 S A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
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1946 A A 0.0000
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1949 V A 0.8072
1950 N A -0.3156
1951 N A 0.0000
1952 V A 0.1863
1953 E A -1.7253
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6394
1957 A A 0.1217
1958 L A 0.0000
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1960 K A -1.8987
1961 N A -1.6349
1962 G A -0.6931
1963 A A 0.0000
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1965 K A -0.7015
1966 D A -0.5074
1967 M A -0.0635
1968 Q A -0.7245
1969 D A 0.0000
1970 S A -0.3480
1971 K A -1.0259
1972 E A -1.5009
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 -0.7699
1982 E A -1.9300
1983 G A -0.4957
1984 S A 0.0000
1985 Y A -0.1130
1986 E A -1.6569
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1930
1990 L A -0.1985
1991 L A 0.0000
1992 L A 0.0480
1993 D A -1.7749
1994 H A -0.1636
1995 F A 1.9248
1996 A A 0.0000
1997 N A -0.4099
1998 R A -0.7241
1999 E A -1.8219
2000 I A -0.0139
2001 T A -0.1578
2002 D A 0.0000
2003 H A -0.7854
2004 L A 0.1920
2005 D A -1.7454
2006 R A -0.6804
2007 L A 0.2491
2008 P A 0.0000
2009 R A -0.8722
2010 D A -1.2247
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.2158
2014 E A -2.3414
2015 R A -1.8941
2016 L A 1.0725
2017 H A -0.1275
2018 Q A -1.3586
2019 D A -0.9120
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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 0.0315
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2267 S A -0.2688
2268 E A -1.9041
2269 S A -0.6046
2270 T A -0.1653
2271 P A -0.3121
2272 S A -0.3195
2273 P A -0.2900
2274 A A -0.0061
2275 T A -0.0462
2276 A A 0.0279
2277 T A -0.1511
2278 G A -0.4695
2279 A A 0.2245
2280 M A 1.0786
2281 A A 0.2424
2282 T A -0.0754
2283 T A -0.1009
2284 T A -0.1844
2285 G A -0.4693
2286 A A 0.2970
2287 L A 1.5058
2288 P A 0.0878
2289 A A -0.2979
2290 Q A -1.2331
2291 P A -0.1778
2292 L A 1.4491
2293 P A 0.3823
2294 L A 1.4495
2295 S A 0.4465
2296 V A 1.6808
2297 P A 0.0306
2298 S A -0.3116
2299 S A 0.1152
2300 L A 1.5081
2301 A A 0.0604
2302 Q A -1.1735
2303 A A -0.4435
2304 Q A -1.1977
2305 T A -0.5798
2306 Q A -0.9317
2307 L A 1.2132
2308 G A -0.1385
2309 P A -0.6000
2310 Q A -1.3034
2311 P A -0.8430
2312 E A -1.5187
2313 V A 1.4007
2314 T A 0.2253
2315 P A -0.5838
2316 K A -2.0995
2317 R A -2.3941
2318 Q A -1.1986
2319 V A 1.8301
2320 L A 1.8956
2321 A A 0.4266
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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 -0.0029 4.6631 View CSV PDB
4.5 -0.0361 4.6631 View CSV PDB
5.0 -0.0764 4.6631 View CSV PDB
5.5 -0.118 4.6631 View CSV PDB
6.0 -0.1557 4.6631 View CSV PDB
6.5 -0.1863 4.6631 View CSV PDB
7.0 -0.2097 4.6631 View CSV PDB
7.5 -0.228 4.6631 View CSV PDB
8.0 -0.2427 4.6631 View CSV PDB
8.5 -0.2536 4.6631 View CSV PDB
9.0 -0.2595 4.6631 View CSV PDB