Project name: C484Y_5

Status: done

Started: 2026-06-12 13:55:39
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVYKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:27)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:24)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/6e955f2e8ce0435/tmp/folded.pdb                (00:35:24)
[INFO]       Main:     Simulation completed successfully.                                          (01:21:12)
Show buried residues

Minimal score value
-2.6139
Maximal score value
2.24
Average score
-0.2791
Total score value
-647.7807

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 0.9647
2 G A -0.3123
3 P A -0.4237
4 G A -0.5014
5 A A -0.3628
6 R A -1.9164
7 G A -1.1255
8 R A -2.2694
9 R A -2.5521
10 R A -2.5563
11 R A -2.5211
12 R A -2.5034
13 R A -2.2242
14 P A -0.4441
15 M A 0.9690
16 S A -0.0658
17 P A -0.3389
18 P A -0.3463
19 P A -0.3464
20 P A -0.3469
21 P A -0.3469
22 P A -0.3466
23 P A 0.0282
24 V A 1.3888
25 R A -1.5096
26 A A 0.0015
27 L A 1.5127
28 P A 0.3061
29 L A 1.7824
30 L A 2.1097
31 L A 2.1136
32 L A 2.1142
33 L A 1.8398
34 A A 0.2599
35 G A -0.5017
36 P A -0.4255
37 G A -0.5026
38 A A -0.0165
39 A A 0.0761
40 A A 0.0332
41 P A -0.0767
42 P A -0.0471
43 C A 0.0000
44 L A 0.9664
45 D A -1.6404
46 G A -0.8078
47 S A -0.2346
48 P A -0.2598
49 C A -0.0492
50 A A -0.1260
51 N A -0.9602
52 G A -0.6366
53 G A -0.4428
54 R A -1.8162
55 C A -0.1399
56 T A -0.2025
57 Q A -1.0858
58 L A 0.3536
59 P A -0.1645
60 S A -0.4918
61 R A -2.2012
62 E A -2.1604
63 A A 0.0000
64 A A 0.0133
65 C A 0.0000
66 L A 1.5916
67 C A 0.5035
68 P A -0.0712
69 P A -0.2789
70 G A -0.0863
71 W A 0.0613
72 V A 0.2913
73 G A -0.3645
74 E A -1.9565
75 R A -1.0002
76 C A 0.0000
77 Q A -0.6999
78 L A -0.2200
79 E A -1.7841
80 D A -0.5888
81 P A -0.0719
82 C A -0.0785
83 H A -1.0093
84 S A -0.4775
85 G A -0.5161
86 P A -0.1339
87 C A -0.0080
88 A A -0.0004
89 G A -0.5515
90 R A -1.8960
91 G A -0.0466
92 V A 1.7891
93 C A 0.3950
94 Q A -0.4948
95 S A -0.0572
96 S A 0.0166
97 V A 1.1493
98 V A 1.8959
99 A A 0.2906
100 G A -0.4647
101 T A -0.1335
102 A A 0.0000
103 R A -1.6703
104 F A 0.3364
105 S A -0.0616
106 C A -0.2769
107 R A -1.7842
108 C A -0.1312
109 P A -0.3524
110 R A -1.8630
111 G A -0.2652
112 F A 0.7096
113 R A -0.2551
114 G A -0.2654
115 P A -0.4067
116 D A -0.7334
117 C A 0.0000
118 S A -0.0559
119 L A 0.6684
120 P A -0.0617
121 D A -0.3485
122 P A -0.0783
123 C A 0.3028
124 L A 1.1358
125 S A -0.0400
126 S A -0.2597
127 P A -0.0725
128 C A 0.0651
129 A A -0.1125
130 H A -0.8261
131 G A -0.5995
132 A A -0.4000
133 R A -1.8138
134 C A -0.2150
135 S A -0.0159
136 V A 0.7343
137 G A 0.0000
138 P A -0.5791
139 D A -1.8462
140 G A -0.7137
141 R A -1.7860
142 F A 0.2727
143 L A 0.9443
144 C A 0.2289
145 S A -0.1634
146 C A 0.1232
147 P A -0.0834
148 P A -0.2769
149 G A -0.0856
150 Y A -0.1852
151 Q A -1.2610
152 G A -0.9800
153 R A -1.6724
154 S A -0.3256
155 C A 0.0000
156 R A -1.8837
157 S A -0.6863
158 D A -0.6483
159 V A 0.2203
160 D A -0.2456
161 E A -0.3185
162 C A -0.2580
163 R A -1.4978
164 V A 1.3843
165 G A -0.2865
166 E A -1.8792
167 P A -0.3737
168 C A 0.0000
169 R A -1.6673
170 H A -1.2463
171 G A -0.6365
172 G A -0.1279
173 T A -0.0579
174 C A 0.2387
175 L A 0.5071
176 N A -0.4759
177 T A -0.1181
178 P A -0.2677
179 G A -0.1436
180 S A -0.0601
181 F A 0.0333
182 R A -1.7346
183 C A -0.4624
184 Q A -1.1396
185 C A -0.0268
186 P A -0.0560
187 A A 0.0189
188 G A -0.0247
189 Y A 0.3282
190 T A 0.0148
191 G A -0.2275
192 P A -0.2129
193 L A 0.3735
194 C A 0.0000
195 E A -0.9168
196 N A -1.3293
197 P A -0.4066
198 A A 0.2721
199 V A 1.4515
200 P A 0.2644
201 C A 0.1392
202 A A 0.0126
203 P A -0.2610
204 S A -0.1542
205 P A -0.0475
206 C A -0.3150
207 R A -1.9880
208 N A -1.2776
209 G A -0.6292
210 G A -0.1139
211 T A -0.0611
212 C A -0.2500
213 R A -2.0513
214 Q A -1.5043
215 S A -0.4001
216 G A -0.5425
217 D A -1.6132
218 L A 0.8311
219 T A 0.2326
220 Y A 0.0222
221 D A -1.6855
222 C A 0.0000
223 A A 0.0712
224 C A 0.3944
225 L A 0.8697
226 P A -0.1063
227 G A -0.2542
228 F A -0.1536
229 E A -1.8109
230 G A -0.7555
231 Q A -1.2972
232 N A -0.5515
233 C A 0.0000
234 E A -1.3661
235 V A 0.8051
236 N A -0.1083
237 V A 0.2264
238 D A -1.7487
239 D A -0.7435
240 C A -0.0343
241 P A -0.3242
242 G A -0.6005
243 H A -0.9017
244 R A -1.9316
245 C A 0.0000
246 L A 1.2689
247 N A -0.3652
248 G A -0.5701
249 G A -0.1178
250 T A -0.0616
251 C A 0.2955
252 V A 0.9770
253 D A -0.6498
254 G A 0.0867
255 V A 1.5330
256 N A -0.9138
257 T A -0.2453
258 Y A -0.1296
259 N A -1.2136
260 C A -0.3586
261 Q A -1.1494
262 C A -0.0640
263 P A -0.0721
264 P A -0.3729
265 E A -0.6399
266 W A 0.0000
267 T A -0.2589
268 G A -0.4195
269 Q A -1.1770
270 F A 0.0996
271 C A 0.0000
272 T A -0.3886
273 E A -1.9152
274 D A -0.7395
275 V A 0.0201
276 D A -0.5311
277 E A -0.2413
278 C A -0.1678
279 Q A -0.8976
280 L A 1.0788
281 Q A -0.9630
282 P A -0.7013
283 N A -1.3178
284 A A -0.2230
285 C A 0.0000
286 H A -0.9550
287 N A -1.0165
288 G A -0.6196
289 G A -0.1331
290 T A -0.0186
291 C A 0.3368
292 F A 1.0390
293 N A -0.4740
294 T A 0.0859
295 L A 1.5177
296 G A 0.1546
297 G A -0.1522
298 H A -0.4970
299 S A -0.2555
300 C A 0.1069
301 V A 0.2323
302 C A 0.2589
303 V A 0.5895
304 N A -0.0205
305 G A 0.0000
306 W A 0.1186
307 T A -0.0415
308 G A -0.5524
309 E A -1.8725
310 S A -0.4044
311 C A 0.0000
312 S A -0.4317
313 Q A -1.3122
314 N A -0.4309
315 I A 0.5441
316 D A -1.6979
317 D A -0.7698
318 C A 0.0490
319 A A 0.0678
320 T A -0.0587
321 A A 0.3096
322 V A 1.6529
323 C A 0.5734
324 F A 0.5274
325 H A -0.9491
326 G A -0.6446
327 A A -0.0604
328 T A -0.0370
329 C A 0.0546
330 H A -0.5709
331 D A -0.8887
332 R A -0.4623
333 V A 0.7749
334 A A 0.1642
335 S A 0.0000
336 F A 0.5036
337 Y A 0.8742
338 C A 0.0000
339 A A 0.0735
340 C A 0.2616
341 P A 0.1538
342 M A 1.0218
343 G A -0.0326
344 K A -0.8554
345 T A -0.1269
346 G A -0.0123
347 L A 0.4409
348 L A 0.4122
349 C A 0.0000
350 H A -0.3656
351 L A -0.1818
352 D A -1.8876
353 D A -0.7706
354 A A -0.0385
355 C A 0.4116
356 V A 1.7238
357 S A -0.1229
358 N A -1.3318
359 P A -0.3304
360 C A 0.0116
361 H A -0.5667
362 E A -2.1913
363 D A -2.1196
364 A A 0.0748
365 I A 2.0432
366 C A 0.2129
367 D A -1.7603
368 T A 0.0000
369 N A -0.2715
370 P A 0.1368
371 V A 1.5602
372 N A -0.7421
373 G A -0.6253
374 R A -1.8602
375 A A -0.1087
376 I A 1.2265
377 C A 0.3170
378 T A -0.0192
379 C A 0.1736
380 P A -0.0365
381 P A -0.2684
382 G A -0.0347
383 F A 0.1745
384 T A -0.0657
385 G A -0.4829
386 G A -0.5336
387 A A -0.0494
388 C A 0.0000
389 D A -2.0079
390 Q A -1.5881
391 D A -0.4846
392 V A -0.0075
393 D A -1.1527
394 E A -0.4748
395 C A 0.0966
396 S A 0.1856
397 I A 1.8875
398 G A -0.0821
399 A A -0.2506
400 N A -1.2095
401 P A -0.2489
402 C A 0.0000
403 E A -1.3241
404 H A -0.4533
405 L A 1.4558
406 G A 0.0000
407 R A -1.9530
408 C A -0.1897
409 V A 0.3364
410 N A -0.2599
411 T A -0.2671
412 Q A -1.2143
413 G A -0.3083
414 S A -0.0404
415 F A 0.6125
416 L A 0.8593
417 C A 0.0106
418 Q A -1.3268
419 C A -0.0394
420 G A -0.5498
421 R A -1.8906
422 G A 0.0000
423 Y A 0.0399
424 T A -0.0360
425 G A -0.2043
426 P A -0.5075
427 R A -1.3062
428 C A 0.0000
429 E A -1.0389
430 T A -0.4262
431 D A -0.9180
432 V A 0.3013
433 N A -0.7456
434 E A -0.4534
435 C A 0.3437
436 L A 1.5314
437 S A -0.0155
438 G A -0.5120
439 P A -0.1068
440 C A -0.1491
441 R A -1.9481
442 N A -1.2058
443 Q A -1.3143
444 A A -0.1993
445 T A -0.0431
446 C A 0.2229
447 L A 0.3966
448 D A -0.7074
449 R A -1.5656
450 I A 1.6510
451 G A 0.0000
452 Q A -1.1455
453 F A -0.0106
454 T A 0.0148
455 C A 0.4531
456 I A 2.0562
457 C A 0.6815
458 M A 0.5409
459 A A 0.1403
460 G A -0.2329
461 F A -0.0526
462 T A -0.0496
463 G A -0.2586
464 T A 0.0438
465 Y A 0.8649
466 C A 0.0000
467 E A -0.4297
468 V A 0.7010
469 D A -1.3406
470 I A 0.4665
471 D A -1.7349
472 E A -1.5484
473 C A 0.0000
474 Q A -1.2371
475 S A -0.4651
476 S A -0.2336
477 P A -0.0761
478 C A 0.0000
479 V A 0.8435
480 N A -0.7701
481 G A -0.6230
482 G A 0.0000
483 V A 1.9375
484 Y A 1.0050
485 K A -1.3876
486 D A -2.2786
487 R A -1.8431
488 V A 1.2016
489 N A -0.9773
490 G A -0.2329
491 F A 0.3169
492 S A 0.0780
493 C A 0.1986
494 T A -0.0009
495 C A 0.1589
496 P A -0.1122
497 S A -0.2443
498 G A -0.3545
499 F A 0.0172
500 S A -0.1084
501 G A -0.4059
502 S A -0.2788
503 T A -0.0515
504 C A 0.0000
505 Q A -0.9715
506 L A 0.6741
507 D A -1.4114
508 V A -0.0344
509 D A -1.7758
510 E A -1.3335
511 C A -0.0837
512 A A 0.0366
513 S A -0.2148
514 T A -0.1161
515 P A -0.0542
516 C A 0.0000
517 R A -1.9147
518 N A -0.8070
519 G A -0.5343
520 A A -0.3594
521 K A -1.6840
522 C A -0.1364
523 V A 0.1982
524 D A -1.5982
525 Q A -1.1712
526 P A -0.7287
527 D A -1.8660
528 G A -0.4111
529 Y A 0.1085
530 E A -1.2106
531 C A -0.4905
532 R A -1.7824
533 C A -0.0900
534 A A -0.2611
535 E A -1.8264
536 G A -0.3328
537 F A -0.1472
538 E A -1.5580
539 G A -0.5920
540 T A 0.0011
541 L A 0.6846
542 C A 0.0000
543 D A -2.1191
544 R A -2.3545
545 N A -1.1903
546 V A 0.2765
547 D A -1.7733
548 D A -0.9994
549 C A -0.2230
550 S A -0.2594
551 P A -0.6307
552 D A -1.8252
553 P A -0.3468
554 C A 0.0000
555 H A -1.0731
556 H A -0.6638
557 G A -0.5154
558 R A -1.8524
559 C A 0.0322
560 V A 1.2053
561 D A -1.0295
562 G A -0.0501
563 I A 1.9896
564 A A 0.3551
565 S A -0.0614
566 F A 0.4020
567 S A -0.0786
568 C A 0.0796
569 A A 0.1075
570 C A 0.2811
571 A A 0.0336
572 P A -0.2620
573 G A -0.2491
574 Y A 0.1691
575 T A -0.0300
576 G A -0.2697
577 T A -0.3012
578 R A -1.0522
579 C A 0.0000
580 E A -1.2664
581 S A -0.5312
582 Q A -1.0218
583 V A 0.3679
584 D A -1.1998
585 E A -0.5855
586 C A -0.3023
587 R A -1.8671
588 S A -0.7669
589 Q A -1.2428
590 P A -0.2405
591 C A -0.2980
592 R A -1.9096
593 H A -0.8511
594 G A -0.5537
595 G A -0.4199
596 K A -1.6972
597 C A -0.1006
598 L A 0.3860
599 D A -1.5015
600 L A 0.5831
601 V A 1.5543
602 D A -1.7823
603 K A -1.9384
604 Y A 0.2198
605 L A 1.5029
606 C A 0.0138
607 R A -1.7803
608 C A -0.0881
609 P A -0.0848
610 S A -0.2467
611 G A -0.3108
612 T A 0.0000
613 T A -0.0813
614 G A 0.0885
615 V A 1.6884
616 N A 0.0923
617 C A 0.0000
618 E A -0.3833
619 V A 0.9021
620 N A -0.4265
621 I A 0.9967
622 D A -1.6811
623 D A -1.2025
624 C A -0.0688
625 A A 0.0356
626 S A -0.4287
627 N A -1.3198
628 P A -0.2626
629 C A 0.1312
630 T A 0.1495
631 F A 1.1094
632 G A 0.2185
633 V A 1.0896
634 C A 0.0000
635 R A -1.9633
636 D A -0.9285
637 G A -0.2795
638 I A 0.5413
639 N A -1.4773
640 R A -1.9824
641 Y A -0.1776
642 D A -1.6662
643 C A 0.0464
644 V A 1.5882
645 C A 0.2098
646 Q A -1.2247
647 P A -0.6549
648 G A -0.2399
649 F A 0.1044
650 T A 0.1331
651 G A -0.1969
652 P A -0.1619
653 L A 0.6284
654 C A 0.0000
655 N A -0.8414
656 V A 0.6067
657 E A -1.3566
658 I A 0.5015
659 N A -1.2116
660 E A -0.9879
661 C A -0.0197
662 A A 0.0394
663 S A -0.2411
664 S A -0.2615
665 P A -0.0771
666 C A 0.0506
667 G A -0.4247
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1938 L A 0.6218
1939 G A 0.1211
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1941 S A 0.0000
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1944 H A 0.0000
1945 W A 0.2309
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1950 N A -0.3176
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1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6251
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1966 D A -0.6806
1967 M A -0.0537
1968 Q A -0.6601
1969 D A 0.0000
1970 S A -0.4264
1971 K A -1.4641
1972 E A -1.5674
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 -0.7237
1982 E A -1.4904
1983 G A -0.4173
1984 S A 0.0000
1985 Y A 0.1035
1986 E A -1.2616
1987 A A 0.0000
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1989 K A -1.1647
1990 L A -0.1787
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8070
1994 H A -0.3601
1995 F A 0.9884
1996 A A 0.0000
1997 N A -0.7501
1998 R A -0.7566
1999 E A -1.8149
2000 I A -0.0136
2001 T A -0.0140
2002 D A 0.0000
2003 H A -0.7676
2004 L A 0.0373
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2006 R A -0.3709
2007 L A 0.2469
2008 P A 0.0000
2009 R A -0.8497
2010 D A -1.3191
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.2329
2014 E A -2.3460
2015 R A -1.8923
2016 L A 1.0631
2017 H A -0.1483
2018 Q A -1.3783
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2021 V A 0.0000
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2267 S A -0.3415
2268 E A -1.9057
2269 S A -0.6160
2270 T A -0.1577
2271 P A -0.3061
2272 S A -0.3058
2273 P A -0.2830
2274 A A -0.0027
2275 T A -0.0457
2276 A A 0.0268
2277 T A -0.1462
2278 G A -0.4681
2279 A A 0.1625
2280 M A 1.0783
2281 A A 0.2994
2282 T A -0.0730
2283 T A -0.1015
2284 T A -0.1789
2285 G A -0.4672
2286 A A 0.2641
2287 L A 1.5075
2288 P A 0.0723
2289 A A -0.2415
2290 Q A -1.2372
2291 P A -0.1962
2292 L A 1.4479
2293 P A 0.3915
2294 L A 1.4481
2295 S A 0.4779
2296 V A 1.6787
2297 P A 0.0388
2298 S A -0.3125
2299 S A 0.1278
2300 L A 1.5065
2301 A A 0.0602
2302 Q A -1.1731
2303 A A -0.4510
2304 Q A -1.1982
2305 T A -0.5439
2306 Q A -0.8385
2307 L A 1.1702
2308 G A -0.2406
2309 P A -0.6083
2310 Q A -1.3030
2311 P A -0.8507
2312 E A -1.5151
2313 V A 1.3958
2314 T A 0.2888
2315 P A -0.5203
2316 K A -2.0806
2317 R A -2.3906
2318 Q A -1.1930
2319 V A 1.8280
2320 L A 1.8976
2321 A A 0.4334
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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 0.0012 4.9434 View CSV PDB
4.5 -0.0311 4.9434 View CSV PDB
5.0 -0.0706 4.9434 View CSV PDB
5.5 -0.1116 4.9434 View CSV PDB
6.0 -0.1489 4.9434 View CSV PDB
6.5 -0.1792 4.9434 View CSV PDB
7.0 -0.2023 4.9434 View CSV PDB
7.5 -0.2203 4.9434 View CSV PDB
8.0 -0.2351 4.9434 View CSV PDB
8.5 -0.2464 4.9434 View CSV PDB
9.0 -0.2528 4.9434 View CSV PDB