Project name: R75P_5

Status: done

Started: 2026-05-21 00:24:36
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGEPCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:36)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:38:57)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/364209d354832b9/tmp/folded.pdb                (00:38:57)
[INFO]       Main:     Simulation completed successfully.                                          (01:25:08)
Show buried residues

Minimal score value
-2.6919
Maximal score value
2.4251
Average score
-0.2807
Total score value
-651.604

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 0.9656
2 G A -0.3143
3 P A -0.4251
4 G A -0.5024
5 A A -0.3606
6 R A -1.9186
7 G A -1.1390
8 R A -2.2651
9 R A -2.5177
10 R A -2.5208
11 R A -2.5238
12 R A -2.5256
13 R A -2.2319
14 P A -0.3979
15 M A 0.9663
16 S A -0.0628
17 P A -0.3403
18 P A -0.3482
19 P A -0.3484
20 P A -0.3482
21 P A -0.3483
22 P A -0.3484
23 P A 0.0269
24 V A 1.3848
25 R A -1.5056
26 A A 0.0002
27 L A 1.5118
28 P A 0.3168
29 L A 1.7894
30 L A 2.1235
31 L A 2.1205
32 L A 2.1198
33 L A 1.8445
34 A A 0.2582
35 G A -0.5019
36 P A -0.4262
37 G A -0.5030
38 A A -0.0154
39 A A 0.0800
40 A A 0.0385
41 P A -0.1958
42 P A -0.1810
43 C A 0.4652
44 L A 1.2565
45 D A -1.5874
46 G A -0.8192
47 S A -0.2843
48 P A -0.2480
49 C A 0.0000
50 A A -0.1482
51 N A -1.0213
52 G A -0.6360
53 G A 0.0000
54 R A -1.8248
55 C A -0.2304
56 T A -0.0769
57 Q A -0.2784
58 L A 0.6466
59 P A -0.1549
60 S A -0.5850
61 R A -2.2164
62 E A -2.1546
63 A A -0.3659
64 A A 0.0345
65 C A 0.3724
66 L A 1.4562
67 C A 0.4800
68 P A -0.0684
69 P A -0.2791
70 G A -0.0914
71 W A 0.0546
72 V A 0.2810
73 G A -0.3664
74 E A -1.8463
75 P A -0.3924
76 C A 0.0000
77 Q A -1.1477
78 L A -0.2687
79 E A -1.7798
80 D A -0.5859
81 P A -0.0731
82 C A -0.0818
83 H A -1.0100
84 S A -0.4765
85 G A -0.5163
86 P A -0.1368
87 C A -0.0181
88 A A -0.0110
89 G A -0.6188
90 R A -1.9082
91 G A -0.0484
92 V A 1.7739
93 C A 0.3131
94 Q A -0.7803
95 S A -0.1350
96 S A -0.0733
97 V A 0.9776
98 V A 1.8486
99 A A 0.2864
100 G A -0.4655
101 T A -0.1376
102 A A 0.0000
103 R A -1.7004
104 F A 0.3860
105 S A -0.0527
106 C A -0.2751
107 R A -1.7845
108 C A -0.1342
109 P A -0.3690
110 R A -1.8716
111 G A -0.2664
112 F A 0.9326
113 R A -0.1968
114 G A -0.3289
115 P A -0.4352
116 D A -0.8226
117 C A 0.0000
118 S A -0.0508
119 L A 0.8065
120 P A -0.0287
121 D A -0.4733
122 P A -0.1080
123 C A 0.1970
124 L A 0.5407
125 S A -0.1490
126 S A -0.2597
127 P A -0.0740
128 C A 0.0631
129 A A -0.1234
130 H A -0.8946
131 G A -0.6116
132 A A -0.3907
133 R A -1.8151
134 C A -0.2219
135 S A -0.0595
136 V A 0.5428
137 G A 0.0094
138 P A -0.5876
139 D A -1.8655
140 G A -0.7706
141 R A -1.5422
142 F A 0.3293
143 L A 1.1749
144 C A 0.2923
145 S A -0.0810
146 C A 0.2179
147 P A -0.0692
148 P A -0.2798
149 G A -0.1007
150 Y A -0.1584
151 Q A -1.2556
152 G A -1.0297
153 R A -1.9402
154 S A -0.3771
155 C A 0.0000
156 R A -1.8834
157 S A -0.6822
158 D A -0.6674
159 V A 0.0687
160 D A -0.4462
161 E A -0.9397
162 C A -0.3764
163 R A -1.4983
164 V A 1.3829
165 G A -0.2924
166 E A -1.8805
167 P A -0.3778
168 C A 0.0000
169 R A -1.5916
170 H A -1.2432
171 G A -0.6382
172 G A -0.1241
173 T A -0.0581
174 C A 0.2271
175 L A 0.4793
176 N A -0.4017
177 T A -0.1069
178 P A -0.2732
179 G A -0.1787
180 S A -0.0898
181 F A 0.0116
182 R A -1.7433
183 C A -0.4495
184 Q A -1.1399
185 C A -0.0222
186 P A -0.0557
187 A A 0.0221
188 G A -0.0074
189 Y A 0.3415
190 T A 0.0261
191 G A -0.2006
192 P A -0.2209
193 L A 0.2999
194 C A 0.0000
195 E A -1.3662
196 N A -1.5057
197 P A -0.4191
198 A A 0.2862
199 V A 1.4825
200 P A 0.2687
201 C A 0.1365
202 A A -0.0123
203 P A -0.2656
204 S A -0.1585
205 P A -0.0656
206 C A 0.0000
207 R A -2.0083
208 N A -1.3156
209 G A -0.6348
210 G A -0.1152
211 T A -0.0606
212 C A -0.2463
213 R A -2.0503
214 Q A -1.5140
215 S A -0.4034
216 G A -0.5291
217 D A -1.5626
218 L A 1.0918
219 T A 0.2714
220 Y A -0.0407
221 D A -1.5741
222 C A 0.0000
223 A A 0.0736
224 C A 0.3796
225 L A 0.8157
226 P A -0.1151
227 G A -0.2751
228 F A -0.1567
229 E A -1.7439
230 G A -0.6715
231 Q A -1.2765
232 N A -0.5249
233 C A 0.0000
234 E A -1.2529
235 V A 0.8335
236 N A -0.0261
237 V A 0.3410
238 D A -1.7411
239 D A -0.8143
240 C A -0.0457
241 P A -0.3241
242 G A -0.6024
243 H A -0.9102
244 R A -1.9331
245 C A 0.0000
246 L A 1.2939
247 N A -0.6546
248 G A -0.6250
249 G A -0.1214
250 T A -0.0611
251 C A 0.3007
252 V A 1.0231
253 D A -0.4614
254 G A 0.1051
255 V A 1.5362
256 N A -0.8850
257 T A -0.2466
258 Y A -0.1244
259 N A -1.2169
260 C A -0.3670
261 Q A -1.1546
262 C A -0.0860
263 P A -0.0733
264 P A -0.3867
265 E A -0.7125
266 W A -0.0168
267 T A -0.2552
268 G A -0.5645
269 Q A -1.2068
270 F A 0.0816
271 C A 0.0000
272 T A -0.4057
273 E A -1.8907
274 D A -0.5813
275 V A 0.0308
276 D A -0.5042
277 E A -0.3531
278 C A -0.1546
279 Q A -0.8953
280 L A 1.1102
281 Q A -0.9617
282 P A -0.7021
283 N A -1.3179
284 A A -0.2229
285 C A 0.0000
286 H A -0.9704
287 N A -0.9879
288 G A -0.6134
289 G A -0.1333
290 T A -0.0151
291 C A 0.4839
292 F A 1.8251
293 N A -0.3440
294 T A 0.0622
295 L A 1.5063
296 G A 0.0428
297 G A -0.1728
298 H A -0.5121
299 S A -0.2279
300 C A 0.2773
301 V A 1.2011
302 C A 0.3919
303 V A 0.2613
304 N A -0.3160
305 G A 0.0000
306 W A 0.1248
307 T A -0.0346
308 G A -0.5541
309 E A -1.8709
310 S A -0.3916
311 C A 0.0000
312 S A -0.4328
313 Q A -1.3045
314 N A -0.4023
315 I A 0.4762
316 D A -1.6834
317 D A -0.7584
318 C A 0.0427
319 A A 0.0664
320 T A -0.0587
321 A A 0.3354
322 V A 1.7943
323 C A 0.6466
324 F A 0.8041
325 H A -0.8983
326 G A -0.6449
327 A A -0.0589
328 T A -0.0351
329 C A 0.0629
330 H A -0.5036
331 D A -0.6205
332 R A -0.9333
333 V A 0.7801
334 A A 0.1639
335 S A -0.1294
336 F A 0.5313
337 Y A 1.0888
338 C A 0.2810
339 A A 0.0905
340 C A 0.2646
341 P A 0.1423
342 M A 1.0230
343 G A 0.0169
344 K A -0.6732
345 T A -0.0969
346 G A 0.1739
347 L A 1.5880
348 L A 0.5958
349 C A 0.0000
350 H A -0.3972
351 L A -0.1938
352 D A -1.8711
353 D A -0.7795
354 A A -0.0438
355 C A 0.3152
356 V A 1.1542
357 S A -0.2268
358 N A -1.3276
359 P A -0.3075
360 C A 0.0173
361 H A -0.5345
362 E A -2.1848
363 D A -2.1190
364 A A 0.0726
365 I A 2.0459
366 C A 0.2260
367 D A -1.7575
368 T A 0.0000
369 N A -0.3085
370 P A 0.0096
371 V A 1.4938
372 N A -0.9672
373 G A -0.6667
374 R A -1.8627
375 A A 0.0000
376 I A 1.1676
377 C A 0.3042
378 T A -0.0207
379 C A 0.1526
380 P A -0.0406
381 P A -0.2697
382 G A -0.0397
383 F A 0.1335
384 T A -0.0526
385 G A -0.4407
386 G A -0.5269
387 A A -0.0546
388 C A 0.0000
389 D A -2.0081
390 Q A -1.6240
391 D A -0.6636
392 V A 0.0893
393 D A -0.8365
394 E A -0.4357
395 C A 0.0503
396 S A 0.1729
397 I A 1.8890
398 G A -0.0861
399 A A -0.2374
400 N A -1.1301
401 P A -0.2359
402 C A 0.0000
403 E A -1.8027
404 H A -0.4479
405 L A 1.4731
406 G A 0.0000
407 R A -1.9656
408 C A 0.0000
409 V A 0.5087
410 N A -0.3013
411 T A -0.2753
412 Q A -1.2145
413 G A -0.3205
414 S A -0.0618
415 F A 0.7079
416 L A 1.4343
417 C A 0.0000
418 Q A -1.3420
419 C A -0.0496
420 G A -0.5988
421 R A -1.9050
422 G A 0.0000
423 Y A 0.0195
424 T A -0.0375
425 G A -0.2053
426 P A -0.5818
427 R A -1.7245
428 C A 0.0000
429 E A -1.1287
430 T A -0.4731
431 D A -1.0667
432 V A 0.3633
433 N A -0.7386
434 E A -0.4206
435 C A 0.3497
436 L A 1.5315
437 S A -0.0165
438 G A -0.5109
439 P A -0.1016
440 C A -0.1695
441 R A -1.9371
442 N A -1.1453
443 Q A -1.3032
444 A A -0.2001
445 T A -0.0443
446 C A 0.2120
447 L A 0.2222
448 D A -1.4642
449 R A -1.6792
450 I A 1.4685
451 G A -0.1535
452 Q A -1.1125
453 F A 0.1217
454 T A 0.0531
455 C A 0.4537
456 I A 2.0657
457 C A 0.6831
458 M A 0.5769
459 A A 0.1476
460 G A -0.2383
461 F A -0.0390
462 T A -0.0503
463 G A -0.2699
464 T A 0.0137
465 Y A 0.7125
466 C A 0.0000
467 E A -0.4768
468 V A 0.6903
469 D A -1.4022
470 I A 0.1822
471 D A -1.5815
472 E A -1.1764
473 C A -0.2840
474 Q A -1.2199
475 S A -0.4682
476 S A -0.2586
477 P A -0.0676
478 C A 0.2501
479 V A 0.8821
480 N A -0.7743
481 G A -0.6345
482 G A 0.2010
483 V A 1.7876
484 C A 0.2421
485 K A -1.5879
486 D A -2.2805
487 R A -1.8440
488 V A 1.2050
489 N A -0.9789
490 G A -0.2301
491 F A 0.3820
492 S A 0.0920
493 C A 0.1018
494 T A 0.0015
495 C A 0.1477
496 P A -0.1127
497 S A -0.2412
498 G A -0.3277
499 F A 0.0422
500 S A -0.1092
501 G A -0.4373
502 S A -0.2839
503 T A -0.0418
504 C A 0.0000
505 Q A -0.9691
506 L A 0.7053
507 D A -1.3903
508 V A 0.0572
509 D A -1.7291
510 E A -0.7022
511 C A 0.0380
512 A A 0.0374
513 S A -0.2148
514 T A -0.1131
515 P A -0.0380
516 C A 0.0000
517 R A -1.6559
518 N A -1.3053
519 G A -0.6341
520 A A -0.3501
521 K A -1.6846
522 C A -0.1277
523 V A 0.2280
524 D A -1.8190
525 Q A -1.5019
526 P A -0.7805
527 D A -1.8630
528 G A -0.3249
529 Y A 0.0720
530 E A -1.4556
531 C A -0.5354
532 R A -1.7791
533 C A -0.0664
534 A A -0.2561
535 E A -1.8266
536 G A -0.3280
537 F A -0.0287
538 E A -1.4729
539 G A -0.5666
540 T A -0.0494
541 L A 0.3950
542 C A 0.0000
543 D A -2.1206
544 R A -2.2556
545 N A -0.6492
546 V A 0.3483
547 D A -1.7823
548 D A -1.0293
549 C A -0.2455
550 S A -0.4414
551 P A -0.6311
552 D A -1.8495
553 P A -0.3639
554 C A 0.0000
555 H A -1.0707
556 H A -0.6491
557 G A -0.5033
558 R A -1.8510
559 C A -0.0151
560 V A 0.9970
561 D A -0.8372
562 G A -0.0126
563 I A 1.9908
564 A A 0.3595
565 S A -0.0598
566 F A 0.4697
567 S A -0.0714
568 C A 0.0778
569 A A 0.1118
570 C A 0.2717
571 A A 0.0313
572 P A -0.2617
573 G A -0.2573
574 Y A 0.1285
575 T A -0.0283
576 G A -0.2668
577 T A -0.3102
578 R A -1.1022
579 C A 0.0000
580 E A -1.2655
581 S A -0.5276
582 Q A -1.0853
583 V A 0.0584
584 D A -1.1012
585 E A -0.5419
586 C A -0.3179
587 R A -1.8710
588 S A -0.7683
589 Q A -1.2433
590 P A -0.2419
591 C A -0.3040
592 R A -1.9096
593 H A -0.8510
594 G A -0.5525
595 G A -0.4146
596 K A -1.7100
597 C A 0.0000
598 L A 0.0799
599 D A -1.5709
600 L A 0.5592
601 V A 1.5493
602 D A -1.7239
603 K A -1.6393
604 Y A 0.1605
605 L A 1.3382
606 C A -0.0070
607 R A -1.7764
608 C A -0.0779
609 P A -0.1053
610 S A -0.2522
611 G A -0.2866
612 T A -0.1112
613 T A -0.0931
614 G A 0.0597
615 V A 1.6812
616 N A 0.0692
617 C A 0.0000
618 E A -0.3167
619 V A 0.8693
620 N A -0.1150
621 I A 1.3696
622 D A -1.6581
623 D A -1.4257
624 C A -0.1109
625 A A 0.0339
626 S A -0.4239
627 N A -1.3207
628 P A -0.2726
629 C A 0.1200
630 T A 0.1884
631 F A 1.3285
632 G A 0.3804
633 V A 1.1511
634 C A 0.0000
635 R A -1.9432
636 D A -0.8234
637 G A -0.2751
638 I A 0.3942
639 N A -1.4967
640 R A -1.9837
641 Y A -0.1198
642 D A -1.2612
643 C A 0.1106
644 V A 1.5554
645 C A 0.2793
646 Q A -1.2002
647 P A -0.6408
648 G A -0.0987
649 F A 0.0107
650 T A -0.0098
651 G A -0.2274
652 P A -0.1836
653 L A 0.5349
654 C A 0.0000
655 N A -0.9359
656 V A 1.1148
657 E A -1.2955
658 I A 0.4976
659 N A -1.1268
660 E A -0.4931
661 C A 0.0908
662 A A 0.0453
663 S A -0.2410
664 S A -0.2745
665 P A -0.1540
666 C A 0.0328
667 G A -0.5284
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1950 N A -0.3029
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1952 V A 0.2668
1953 E A -1.7065
1954 A A 0.0000
1955 T A 0.0000
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1960 K A -1.8674
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1967 M A -0.0722
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1969 D A 0.0000
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1971 K A -1.3578
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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
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1980 A A 0.0000
1981 R A -0.8227
1982 E A -1.7146
1983 G A -0.4424
1984 S A 0.0000
1985 Y A 0.1626
1986 E A -1.2290
1987 A A 0.0000
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1989 K A -1.1810
1990 L A -0.1864
1991 L A 0.0000
1992 L A 0.0237
1993 D A -1.7774
1994 H A -0.2496
1995 F A 1.5891
1996 A A 0.0000
1997 N A -0.7844
1998 R A -0.7777
1999 E A -1.6683
2000 I A 0.0285
2001 T A -0.1042
2002 D A 0.0000
2003 H A -0.6356
2004 L A 1.0664
2005 D A -1.5896
2006 R A -0.6717
2007 L A 0.2710
2008 P A 0.0000
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2010 D A -1.2827
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2397
2015 R A -1.4120
2016 L A 1.1726
2017 H A -0.1060
2018 Q A -1.3849
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2021 V A 0.0000
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2265 D A -1.6300
2266 W A 0.8110
2267 S A -0.2490
2268 E A -1.9125
2269 S A -0.6872
2270 T A -0.1689
2271 P A -0.3115
2272 S A -0.3128
2273 P A -0.2867
2274 A A -0.0049
2275 T A -0.0459
2276 A A 0.0288
2277 T A -0.1716
2278 G A -0.4715
2279 A A 0.1615
2280 M A 1.0782
2281 A A 0.2962
2282 T A -0.0768
2283 T A -0.1007
2284 T A -0.1690
2285 G A -0.4685
2286 A A 0.2568
2287 L A 1.5133
2288 P A 0.0297
2289 A A -0.2044
2290 Q A -1.2339
2291 P A -0.1878
2292 L A 1.4552
2293 P A 0.3039
2294 L A 1.4624
2295 S A 0.3927
2296 V A 1.6878
2297 P A 0.0268
2298 S A -0.2993
2299 S A 0.0325
2300 L A 1.5194
2301 A A 0.1220
2302 Q A -1.1766
2303 A A -0.3827
2304 Q A -1.2013
2305 T A -0.5942
2306 Q A -0.9314
2307 L A 1.2096
2308 G A -0.1240
2309 P A -0.5812
2310 Q A -1.2970
2311 P A -0.8170
2312 E A -1.5422
2313 V A 1.4266
2314 T A 0.2116
2315 P A -0.5892
2316 K A -2.0865
2317 R A -2.3792
2318 Q A -1.2126
2319 V A 1.8407
2320 L A 1.8914
2321 A A 0.3517
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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 0.0025 5.1647 View CSV PDB
4.5 -0.0302 5.1647 View CSV PDB
5.0 -0.0697 5.1647 View CSV PDB
5.5 -0.1103 5.1647 View CSV PDB
6.0 -0.147 5.1647 View CSV PDB
6.5 -0.1766 5.1647 View CSV PDB
7.0 -0.1992 5.1647 View CSV PDB
7.5 -0.2171 5.1647 View CSV PDB
8.0 -0.2318 5.1647 View CSV PDB
8.5 -0.2429 5.1647 View CSV PDB
9.0 -0.2489 5.1647 View CSV PDB