Project name: P167S_5

Status: done

Started: 2026-05-21 00:18:12
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGESCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:26)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:22)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8c049892a8e583d/tmp/folded.pdb                (00:31:22)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:10)
Show buried residues

Minimal score value
-2.6367
Maximal score value
2.5643
Average score
-0.2747
Total score value
-637.6065

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 -0.3157
3 P A -0.4287
4 G A -0.4990
5 A A -0.3948
6 R A -1.9177
7 G A -1.1317
8 R A -2.2590
9 R A -2.5175
10 R A -2.6367
11 R A -2.6242
12 R A -2.5085
13 R A -2.2255
14 P A -0.4025
15 M A 0.9672
16 S A -0.0630
17 P A -0.3392
18 P A -0.3470
19 P A -0.3471
20 P A -0.3474
21 P A -0.3475
22 P A -0.3471
23 P A 0.0298
24 V A 1.3858
25 R A -1.5068
26 A A 0.0079
27 L A 1.5120
28 P A 0.3302
29 L A 1.8004
30 L A 2.1489
31 L A 2.1541
32 L A 2.1545
33 L A 1.8584
34 A A 0.2711
35 G A -0.4970
36 P A -0.4269
37 G A -0.5031
38 A A -0.0183
39 A A 0.0760
40 A A 0.0363
41 P A -0.0559
42 P A -0.0413
43 C A 0.3005
44 L A 1.0040
45 D A -1.6334
46 G A -0.8070
47 S A -0.2352
48 P A -0.2593
49 C A -0.0329
50 A A -0.1302
51 N A -0.9883
52 G A -0.6421
53 G A -0.4455
54 R A -1.7170
55 C A 0.3886
56 T A -0.1082
57 Q A -1.0937
58 L A 0.3125
59 P A -0.1885
60 S A -0.5857
61 R A -2.2172
62 E A -2.1597
63 A A 0.0000
64 A A 0.0267
65 C A 0.4529
66 L A 1.6011
67 C A 0.4851
68 P A -0.0731
69 P A -0.2774
70 G A -0.0798
71 W A 0.0612
72 V A 0.2885
73 G A -0.3630
74 E A -1.9320
75 R A -0.8654
76 C A 0.0000
77 Q A -0.5597
78 L A -0.1940
79 E A -1.7846
80 D A -0.5869
81 P A -0.0683
82 C A -0.0765
83 H A -1.0089
84 S A -0.4771
85 G A -0.5140
86 P A -0.1232
87 C A -0.0408
88 A A -0.0103
89 G A -0.5932
90 R A -1.9032
91 G A -0.0460
92 V A 1.7895
93 C A 0.3339
94 Q A -0.8286
95 S A -0.1426
96 S A -0.0410
97 V A 0.9146
98 V A 1.7767
99 A A 0.2765
100 G A -0.4651
101 T A -0.1357
102 A A 0.0000
103 R A -1.7406
104 F A 0.1586
105 S A -0.0941
106 C A -0.2775
107 R A -1.7838
108 C A -0.1329
109 P A -0.3737
110 R A -1.8712
111 G A -0.2465
112 F A 0.9235
113 R A -0.1588
114 G A -0.3039
115 P A -0.4716
116 D A -1.0356
117 C A 0.0000
118 S A -0.0453
119 L A 0.8348
120 P A 0.0359
121 D A -0.2937
122 P A -0.0523
123 C A 0.2725
124 L A 0.9289
125 S A -0.0779
126 S A -0.2594
127 P A -0.0709
128 C A 0.0695
129 A A -0.1219
130 H A -0.8902
131 G A -0.6105
132 A A -0.3923
133 R A -1.8032
134 C A -0.1569
135 S A 0.0012
136 V A 0.7771
137 G A 0.0431
138 P A -0.5893
139 D A -1.8467
140 G A -0.6536
141 R A -1.4486
142 F A 0.3670
143 L A 1.3041
144 C A 0.2883
145 S A -0.1529
146 C A 0.1962
147 P A -0.0711
148 P A -0.2768
149 G A -0.0821
150 Y A -0.1481
151 Q A -1.2571
152 G A -1.0287
153 R A -1.9390
154 S A -0.3739
155 C A 0.0000
156 R A -1.8836
157 S A -0.6579
158 D A -0.5035
159 V A 0.1778
160 D A -0.5287
161 E A -0.7912
162 C A -0.3045
163 R A -1.4914
164 V A 1.3626
165 G A -0.4089
166 E A -1.9028
167 S A -0.3888
168 C A 0.0000
169 R A -1.9942
170 H A -1.2467
171 G A -0.6259
172 G A -0.1276
173 T A -0.0548
174 C A 0.2567
175 L A 0.5340
176 N A -0.3784
177 T A 0.0000
178 P A -0.2680
179 G A -0.1525
180 S A -0.0816
181 F A -0.0576
182 R A -1.7558
183 C A -0.4616
184 Q A -1.1410
185 C A -0.0300
186 P A -0.0596
187 A A 0.0185
188 G A -0.0233
189 Y A 0.3356
190 T A 0.0260
191 G A -0.2041
192 P A -0.2012
193 L A 0.4144
194 C A 0.0000
195 E A -0.9173
196 N A -1.1976
197 P A -0.3793
198 A A 0.2476
199 V A 1.3013
200 P A 0.2371
201 C A 0.1303
202 A A -0.0167
203 P A -0.2683
204 S A -0.1766
205 P A -0.0958
206 C A -0.3214
207 R A -1.9769
208 N A -1.2173
209 G A -0.6176
210 G A -0.1110
211 T A -0.0572
212 C A -0.2528
213 R A -2.0512
214 Q A -1.5135
215 S A -0.4028
216 G A -0.5267
217 D A -1.5748
218 L A 1.0189
219 T A 0.2580
220 Y A -0.0492
221 D A -1.6989
222 C A 0.0000
223 A A 0.0697
224 C A 0.3890
225 L A 0.8641
226 P A -0.1075
227 G A -0.2464
228 F A -0.1549
229 E A -1.8183
230 G A -0.7921
231 Q A -1.2985
232 N A -0.5202
233 C A 0.0000
234 E A -0.7625
235 V A 0.8432
236 N A -0.0934
237 V A 0.2922
238 D A -1.7508
239 D A -0.8122
240 C A -0.0457
241 P A -0.3238
242 G A -0.6012
243 H A -0.9047
244 R A -1.9320
245 C A 0.0000
246 L A 1.2512
247 N A -0.6544
248 G A -0.6234
249 G A -0.1138
250 T A -0.0621
251 C A 0.2247
252 V A 0.6260
253 D A -0.5921
254 G A 0.0949
255 V A 1.5186
256 N A -0.9687
257 T A -0.2423
258 Y A -0.1130
259 N A -1.2140
260 C A -0.3644
261 Q A -1.1445
262 C A -0.0311
263 P A -0.0644
264 P A -0.3696
265 E A -0.5991
266 W A -0.0115
267 T A -0.0576
268 G A -0.5051
269 Q A -1.1948
270 F A 0.0878
271 C A 0.0000
272 T A -0.4040
273 E A -1.9039
274 D A -0.6705
275 V A 0.0250
276 D A -0.5078
277 E A -0.1624
278 C A -0.1426
279 Q A -0.8953
280 L A 1.0940
281 Q A -0.9190
282 P A -0.6931
283 N A -1.3180
284 A A -0.2241
285 C A 0.0000
286 H A -0.7973
287 N A -0.9794
288 G A -0.6174
289 G A -0.1312
290 T A -0.0436
291 C A 0.4933
292 F A 1.8414
293 N A -0.3128
294 T A 0.0745
295 L A 1.5067
296 G A 0.1030
297 G A -0.1759
298 H A -0.5054
299 S A -0.2247
300 C A 0.4067
301 V A 1.8237
302 C A 0.7006
303 V A 0.8911
304 N A -1.0724
305 G A 0.0000
306 W A 0.1474
307 T A -0.0302
308 G A -0.5431
309 E A -1.8681
310 S A -0.3885
311 C A 0.0000
312 S A -0.4326
313 Q A -1.2996
314 N A -0.3798
315 I A 0.4438
316 D A -1.7169
317 D A -0.7650
318 C A 0.0448
319 A A 0.0669
320 T A -0.0586
321 A A 0.2954
322 V A 1.5703
323 C A 0.6158
324 F A 0.8201
325 H A -0.8956
326 G A -0.6444
327 A A -0.0588
328 T A -0.0413
329 C A -0.0432
330 H A -1.0452
331 D A -0.6100
332 R A -0.1708
333 V A 0.7535
334 A A 0.1606
335 S A 0.0000
336 F A 0.5313
337 Y A 0.5495
338 C A 0.0000
339 A A 0.1053
340 C A 0.2825
341 P A 0.1607
342 M A 1.0202
343 G A -0.0288
344 K A -0.8169
345 T A -0.1205
346 G A 0.0116
347 L A 0.5005
348 L A 0.4596
349 C A 0.0000
350 H A -0.3698
351 L A -0.1837
352 D A -1.8641
353 D A -0.6642
354 A A -0.0223
355 C A 0.3795
356 V A 1.6323
357 S A -0.1388
358 N A -1.3318
359 P A -0.3311
360 C A 0.0047
361 H A -0.5778
362 E A -2.1937
363 D A -2.1202
364 A A 0.0746
365 I A 2.0435
366 C A 0.4565
367 D A -0.4519
368 T A 0.0000
369 N A -0.2726
370 P A 0.1065
371 V A 0.9231
372 N A -1.0735
373 G A -0.6639
374 R A -1.8618
375 A A 0.0000
376 I A 0.8500
377 C A 0.2448
378 T A -0.0190
379 C A 0.1766
380 P A -0.0358
381 P A -0.2685
382 G A -0.0286
383 F A 0.1540
384 T A -0.0737
385 G A -0.4953
386 G A -0.5359
387 A A -0.0505
388 C A 0.0000
389 D A -2.0087
390 Q A -1.5776
391 D A -0.4026
392 V A 0.1321
393 D A -1.1011
394 E A -0.4771
395 C A 0.0857
396 S A 0.1835
397 I A 1.8877
398 G A -0.0826
399 A A -0.2505
400 N A -1.2095
401 P A -0.2491
402 C A 0.0000
403 E A -1.8960
404 H A -0.4689
405 L A 1.4722
406 G A 0.0000
407 R A -1.9192
408 C A 0.0000
409 V A 0.4050
410 N A -0.2358
411 T A -0.2627
412 Q A -1.2149
413 G A -0.3215
414 S A -0.0647
415 F A 0.6751
416 L A 1.3070
417 C A 0.1596
418 Q A -0.8649
419 C A 0.0330
420 G A -0.5743
421 R A -1.9094
422 G A -0.1564
423 Y A 0.0333
424 T A -0.0346
425 G A -0.2043
426 P A -0.5598
427 R A -1.5983
428 C A 0.0000
429 E A -1.2718
430 T A -0.4699
431 D A -0.9369
432 V A 0.1413
433 N A -0.8090
434 E A -0.6333
435 C A 0.3098
436 L A 1.5314
437 S A -0.0160
438 G A -0.5120
439 P A -0.1069
440 C A -0.1528
441 R A -1.9401
442 N A -1.1602
443 Q A -1.3060
444 A A -0.2004
445 T A -0.0420
446 C A 0.2480
447 L A 0.4616
448 D A -0.7666
449 R A -0.9115
450 I A 1.5922
451 G A -0.1599
452 Q A -1.0505
453 F A 0.0287
454 T A 0.0517
455 C A 0.1870
456 I A 0.5882
457 C A 0.3834
458 M A 0.4518
459 A A 0.1154
460 G A -0.2416
461 F A -0.0516
462 T A -0.0473
463 G A -0.2523
464 T A 0.0398
465 Y A 0.8381
466 C A 0.0000
467 E A -0.4252
468 V A 0.6729
469 D A -1.4108
470 I A 0.1673
471 D A -1.4860
472 E A -1.2052
473 C A -0.2923
474 Q A -1.2199
475 S A -0.4699
476 S A -0.2587
477 P A -0.0672
478 C A 0.1335
479 V A 0.2482
480 N A -0.8710
481 G A -0.6322
482 G A 0.2047
483 V A 1.7882
484 C A 0.2247
485 K A -1.7089
486 D A -2.3042
487 R A -1.8432
488 V A 1.2023
489 N A -0.9772
490 G A -0.2226
491 F A 0.3707
492 S A 0.0961
493 C A 0.1029
494 T A 0.0028
495 C A 0.1531
496 P A -0.1097
497 S A -0.2414
498 G A -0.3462
499 F A 0.0199
500 S A -0.1071
501 G A -0.4056
502 S A -0.2788
503 T A -0.0422
504 C A 0.0000
505 Q A -0.9608
506 L A 0.7019
507 D A -1.3915
508 V A 0.0512
509 D A -1.6451
510 E A -0.7107
511 C A 0.0278
512 A A 0.0363
513 S A -0.2148
514 T A -0.1155
515 P A -0.0503
516 C A 0.0000
517 R A -1.7367
518 N A -1.4628
519 G A -0.6614
520 A A -0.3591
521 K A -1.6834
522 C A -0.1212
523 V A 0.2333
524 D A -1.7359
525 Q A -1.1803
526 P A -0.7272
527 D A -1.8641
528 G A -0.3222
529 Y A 0.1111
530 E A -1.3177
531 C A -0.5126
532 R A -1.7824
533 C A -0.0914
534 A A -0.2624
535 E A -1.8263
536 G A -0.1289
537 F A -0.0857
538 E A -1.1829
539 G A -0.4916
540 T A -0.0422
541 L A 0.4101
542 C A 0.0000
543 D A -1.8132
544 R A -2.3059
545 N A -1.2563
546 V A 0.0825
547 D A -1.8070
548 D A -1.0002
549 C A -0.2279
550 S A -0.2598
551 P A -0.6319
552 D A -1.8279
553 P A -0.3627
554 C A 0.0000
555 H A -1.0364
556 H A -0.6244
557 G A -0.5140
558 R A -1.8522
559 C A 0.0648
560 V A 1.3529
561 D A -0.9605
562 G A -0.0238
563 I A 1.9875
564 A A 0.3553
565 S A -0.0339
566 F A 0.4584
567 S A -0.0697
568 C A 0.0839
569 A A 0.1160
570 C A 0.2944
571 A A 0.0341
572 P A -0.2622
573 G A -0.2454
574 Y A 0.0762
575 T A -0.0833
576 G A -0.4489
577 T A -0.3277
578 R A -1.0150
579 C A 0.0000
580 E A -1.8507
581 S A -0.7177
582 Q A -1.0311
583 V A 0.4376
584 D A -1.3797
585 E A -0.6192
586 C A 0.0000
587 R A -1.8836
588 S A -0.7678
589 Q A -1.2421
590 P A -0.2515
591 C A 0.0000
592 R A -1.9234
593 H A -0.8540
594 G A -0.5520
595 G A -0.4076
596 K A -1.7087
597 C A 0.0000
598 L A 0.3596
599 D A -1.4813
600 L A 0.6057
601 V A 1.5580
602 D A -1.7793
603 K A -1.9131
604 Y A 0.3535
605 L A 1.4930
606 C A 0.0020
607 R A -1.7793
608 C A -0.0835
609 P A -0.0826
610 S A -0.2451
611 G A -0.3133
612 T A 0.0000
613 T A -0.0892
614 G A 0.0949
615 V A 1.6746
616 N A 0.0089
617 C A 0.0000
618 E A -0.5164
619 V A 0.9264
620 N A -0.4485
621 I A 0.8303
622 D A -1.7224
623 D A -1.2686
624 C A -0.0777
625 A A 0.0364
626 S A -0.4303
627 N A -1.3205
628 P A -0.2632
629 C A 0.1430
630 T A 0.1258
631 F A 0.9560
632 G A 0.4396
633 V A 1.7790
634 C A 0.1353
635 R A -1.9448
636 D A -0.9757
637 G A -0.2752
638 I A 0.5438
639 N A -1.4802
640 R A -1.9996
641 Y A -0.2131
642 D A -1.3309
643 C A -0.0189
644 V A 0.7830
645 C A 0.0583
646 Q A -1.2133
647 P A -0.6542
648 G A 0.0000
649 F A -0.0515
650 T A -0.0174
651 G A -0.2063
652 P A -0.1399
653 L A 0.7569
654 C A 0.0000
655 N A -0.9558
656 V A 1.2048
657 E A -1.3076
658 I A 0.2462
659 N A -1.1820
660 E A -0.5582
661 C A 0.0800
662 A A 0.0430
663 S A -0.2412
664 S A -0.2604
665 P A -0.0706
666 C A 0.1439
667 G A -0.4041
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1932 V A -0.1694
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1934 A A 0.0070
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1936 D A 0.0000
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1939 G A 0.1175
1940 K A -0.1628
1941 S A 0.0000
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1945 W A 0.2069
1946 A A 0.0000
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1949 V A 0.8534
1950 N A -0.2885
1951 N A 0.0000
1952 V A 0.1665
1953 E A -1.7283
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6461
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1960 K A -1.8911
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1962 G A -0.6870
1963 A A 0.0000
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1966 D A -0.3876
1967 M A -0.0201
1968 Q A -0.6554
1969 D A 0.0000
1970 S A -0.4234
1971 K A -1.4215
1972 E A -1.4305
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 -0.7380
1982 E A -1.6697
1983 G A -0.4489
1984 S A 0.0000
1985 Y A 0.0637
1986 E A -1.4473
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.9925
1990 L A -0.1581
1991 L A 0.0000
1992 L A -0.0230
1993 D A -1.7781
1994 H A -0.3083
1995 F A 1.2518
1996 A A 0.0000
1997 N A -0.3243
1998 R A -0.5968
1999 E A -1.3037
2000 I A 0.1783
2001 T A -0.1311
2002 D A 0.0000
2003 H A -0.3151
2004 L A 1.1205
2005 D A -1.5848
2006 R A -0.6610
2007 L A 0.2581
2008 P A 0.0000
2009 R A -1.1779
2010 D A -1.1746
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.1179
2014 E A -2.2501
2015 R A -1.4857
2016 L A 1.1580
2017 H A -0.1190
2018 Q A -1.3907
2019 D A -1.0955
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2021 V A 0.0000
2022 R A -2.0206
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2100 S A 0.0332
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2267 S A -0.2876
2268 E A -1.9074
2269 S A -0.6413
2270 T A -0.1580
2271 P A -0.3070
2272 S A -0.3111
2273 P A -0.2870
2274 A A -0.0024
2275 T A -0.0457
2276 A A 0.0267
2277 T A -0.1485
2278 G A -0.4685
2279 A A 0.1659
2280 M A 1.0786
2281 A A 0.2996
2282 T A -0.0728
2283 T A -0.1016
2284 T A -0.1786
2285 G A -0.4671
2286 A A 0.2615
2287 L A 1.5076
2288 P A 0.0701
2289 A A -0.2722
2290 Q A -1.2330
2291 P A -0.1900
2292 L A 1.4456
2293 P A 0.3828
2294 L A 1.4514
2295 S A 0.4808
2296 V A 1.6795
2297 P A 0.0393
2298 S A -0.3109
2299 S A 0.1206
2300 L A 1.5073
2301 A A 0.0590
2302 Q A -1.1734
2303 A A -0.4439
2304 Q A -1.1981
2305 T A -0.5284
2306 Q A -0.8442
2307 L A 1.1779
2308 G A -0.2465
2309 P A -0.5964
2310 Q A -1.2997
2311 P A -0.8477
2312 E A -1.5147
2313 V A 1.3952
2314 T A 0.2553
2315 P A -0.6587
2316 K A -2.1008
2317 R A -2.3792
2318 Q A -1.1399
2319 V A 1.7860
2320 L A 1.8839
2321 A A 0.4304
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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 0.0074 4.6642 View CSV PDB
4.5 -0.0244 4.6642 View CSV PDB
5.0 -0.0632 4.6642 View CSV PDB
5.5 -0.1033 4.6642 View CSV PDB
6.0 -0.1396 4.6642 View CSV PDB
6.5 -0.169 4.6642 View CSV PDB
7.0 -0.1914 4.6642 View CSV PDB
7.5 -0.209 4.6642 View CSV PDB
8.0 -0.2235 4.6642 View CSV PDB
8.5 -0.2345 4.6642 View CSV PDB
9.0 -0.2408 4.6642 View CSV PDB