Project name: C504G_5

Status: done

Started: 2026-06-12 06:46:54
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTGQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:17)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:02)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/d1bc1e6008870df/tmp/folded.pdb                (00:17:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:25)
Show buried residues

Minimal score value
-2.6481
Maximal score value
2.266
Average score
-0.2799
Total score value
-649.7089

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 0.9670
2 G A -0.3191
3 P A -0.4338
4 G A -0.5052
5 A A -0.4711
6 R A -1.9247
7 G A -1.1908
8 R A -2.3655
9 R A -2.6481
10 R A -2.5594
11 R A -2.6451
12 R A -2.6433
13 R A -2.2353
14 P A -0.4134
15 M A 0.9647
16 S A -0.0592
17 P A -0.3506
18 P A -0.3624
19 P A -0.3575
20 P A -0.3523
21 P A -0.3599
22 P A -0.3566
23 P A 0.0209
24 V A 1.3918
25 R A -1.5117
26 A A 0.0032
27 L A 1.5122
28 P A 0.3130
29 L A 1.7865
30 L A 2.1205
31 L A 2.1234
32 L A 2.1240
33 L A 1.8460
34 A A 0.2621
35 G A -0.5019
36 P A -0.4270
37 G A -0.5032
38 A A -0.0171
39 A A 0.0763
40 A A 0.0178
41 P A -0.1999
42 P A -0.1774
43 C A 0.4439
44 L A 1.2617
45 D A -1.5955
46 G A -0.8239
47 S A -0.2728
48 P A 0.0000
49 C A -0.0616
50 A A -0.1192
51 N A -0.9459
52 G A -0.6229
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.2035
57 Q A -0.8606
58 L A 0.5834
59 P A -0.1466
60 S A -0.5856
61 R A -2.2159
62 E A -2.1571
63 A A -0.4516
64 A A 0.0267
65 C A 0.3726
66 L A 1.6068
67 C A 0.5099
68 P A -0.0694
69 P A -0.2797
70 G A -0.0909
71 W A 0.0628
72 V A 0.2847
73 G A -0.3610
74 E A -2.0264
75 R A -1.3948
76 C A 0.0000
77 Q A -0.5684
78 L A -0.1893
79 E A -1.7816
80 D A -0.5888
81 P A -0.0708
82 C A -0.0765
83 H A -1.0090
84 S A -0.4763
85 G A -0.5155
86 P A -0.1312
87 C A -0.0013
88 A A -0.0037
89 G A -0.5721
90 R A -1.9000
91 G A -0.0471
92 V A 1.7833
93 C A 0.2851
94 Q A -0.9381
95 S A -0.1889
96 S A -0.1083
97 V A 0.8814
98 V A 1.8839
99 A A 0.2967
100 G A -0.4651
101 T A -0.1355
102 A A 0.0000
103 R A -1.7179
104 F A 0.2263
105 S A -0.0821
106 C A -0.2856
107 R A -1.7867
108 C A -0.1427
109 P A -0.3721
110 R A -1.8701
111 G A -0.2373
112 F A 0.9365
113 R A -0.2295
114 G A -0.2621
115 P A -0.3981
116 D A -0.6911
117 C A 0.0000
118 S A -0.0370
119 L A 0.7151
120 P A -0.0122
121 D A -0.2825
122 P A -0.0619
123 C A 0.2297
124 L A 0.8703
125 S A -0.0875
126 S A -0.2589
127 P A -0.0688
128 C A 0.0684
129 A A -0.1236
130 H A -0.9025
131 G A -0.6122
132 A A -0.3912
133 R A -1.8262
134 C A -0.2727
135 S A -0.0132
136 V A 0.6723
137 G A 0.0321
138 P A -0.5874
139 D A -1.8485
140 G A -0.7164
141 R A -1.7543
142 F A 0.2221
143 L A 0.9972
144 C A 0.2408
145 S A -0.1484
146 C A 0.2004
147 P A -0.0706
148 P A -0.2796
149 G A -0.0969
150 Y A -0.1698
151 Q A -1.2561
152 G A -1.0318
153 R A -1.9398
154 S A -0.3727
155 C A 0.0000
156 R A -1.8835
157 S A -0.6981
158 D A -0.7372
159 V A 0.0566
160 D A -0.4987
161 E A -0.9006
162 C A -0.3657
163 R A -1.4998
164 V A 1.3932
165 G A -0.2476
166 E A -1.8745
167 P A -0.3881
168 C A 0.0000
169 R A -1.9909
170 H A -1.2267
171 G A -0.6224
172 G A -0.1261
173 T A -0.0579
174 C A 0.2344
175 L A 0.4994
176 N A -0.4015
177 T A -0.1112
178 P A -0.2696
179 G A -0.1587
180 S A -0.0908
181 F A -0.0473
182 R A -1.7529
183 C A -0.4575
184 Q A -1.1396
185 C A -0.0213
186 P A -0.0529
187 A A 0.0206
188 G A -0.0167
189 Y A 0.3412
190 T A 0.0219
191 G A -0.2211
192 P A -0.2095
193 L A 0.3818
194 C A 0.0000
195 E A -0.7351
196 N A -1.3127
197 P A -0.4070
198 A A 0.2868
199 V A 1.4980
200 P A 0.2744
201 C A 0.1270
202 A A -0.0134
203 P A -0.2683
204 S A -0.1807
205 P A -0.0666
206 C A -0.2842
207 R A -1.9037
208 N A -1.2619
209 G A -0.6277
210 G A -0.1148
211 T A -0.0604
212 C A -0.2463
213 R A -2.0523
214 Q A -1.5224
215 S A -0.4086
216 G A -0.5304
217 D A -1.5661
218 L A 1.0776
219 T A 0.2588
220 Y A -0.0884
221 D A -1.6168
222 C A 0.0000
223 A A 0.0689
224 C A 0.3695
225 L A 0.7897
226 P A -0.1203
227 G A -0.2889
228 F A -0.1660
229 E A -1.8279
230 G A -0.8322
231 Q A -1.2828
232 N A -0.3936
233 C A 0.0000
234 E A -0.5994
235 V A 1.0226
236 N A -0.0211
237 V A 0.2665
238 D A -1.7574
239 D A -0.8198
240 C A -0.0484
241 P A -0.3244
242 G A -0.6022
243 H A -0.9139
244 R A -1.9339
245 C A 0.0000
246 L A 1.2177
247 N A -0.6540
248 G A -0.6221
249 G A -0.1214
250 T A -0.0621
251 C A 0.2961
252 V A 1.0206
253 D A -0.4304
254 G A 0.1417
255 V A 1.5253
256 N A -0.9741
257 T A -0.2611
258 Y A -0.1141
259 N A -1.2162
260 C A -0.3642
261 Q A -1.1523
262 C A -0.0734
263 P A -0.0757
264 P A -0.3729
265 E A -0.6259
266 W A -0.0159
267 T A -0.2280
268 G A -0.4023
269 Q A -1.1825
270 F A 0.0493
271 C A 0.0000
272 T A -0.3878
273 E A -1.9261
274 D A -0.7797
275 V A -0.0692
276 D A -0.9954
277 E A -0.4555
278 C A -0.1858
279 Q A -0.8959
280 L A 1.0648
281 Q A -0.9626
282 P A -0.7004
283 N A -1.3178
284 A A -0.2227
285 C A 0.0000
286 H A -1.0398
287 N A -1.0347
288 G A -0.6189
289 G A -0.1287
290 T A -0.0470
291 C A 0.4744
292 F A 1.8224
293 N A -0.2434
294 T A 0.0863
295 L A 1.5052
296 G A 0.0420
297 G A -0.1736
298 H A -0.4468
299 S A -0.2504
300 C A 0.3975
301 V A 1.8257
302 C A 0.6819
303 V A 0.7407
304 N A -1.1012
305 G A 0.0000
306 W A 0.1322
307 T A -0.0367
308 G A -0.5650
309 E A -1.8731
310 S A -0.3913
311 C A 0.0000
312 S A -0.4316
313 Q A -1.3045
314 N A -0.4023
315 I A 0.4866
316 D A -1.7086
317 D A -0.7547
318 C A 0.0563
319 A A 0.0685
320 T A -0.0587
321 A A 0.3374
322 V A 1.7958
323 C A 0.6661
324 F A 0.8480
325 H A -0.8916
326 G A -0.6441
327 A A -0.0597
328 T A -0.0388
329 C A 0.0843
330 H A -0.4198
331 D A -0.7964
332 R A -1.6766
333 V A 1.0676
334 A A 0.2656
335 S A -0.2326
336 F A 0.4515
337 Y A 0.9848
338 C A 0.0000
339 A A 0.0775
340 C A 0.2689
341 P A 0.1514
342 M A 1.0171
343 G A -0.0594
344 K A -0.9030
345 T A -0.1329
346 G A 0.1917
347 L A 1.6031
348 L A 0.6527
349 C A 0.0000
350 H A -0.3997
351 L A -0.1529
352 D A -1.8807
353 D A -0.7349
354 A A -0.0333
355 C A 0.1668
356 V A 0.4723
357 S A -0.1818
358 N A -1.3009
359 P A -0.3316
360 C A 0.0198
361 H A -0.5320
362 E A -2.1836
363 D A -2.1181
364 A A 0.0756
365 I A 2.0433
366 C A 0.2156
367 D A -1.7603
368 T A 0.0000
369 N A -0.2847
370 P A 0.0602
371 V A 1.5644
372 N A -0.6390
373 G A -0.5823
374 R A -1.8551
375 A A -0.0895
376 I A 1.3069
377 C A 0.3394
378 T A -0.0161
379 C A 0.1829
380 P A -0.0347
381 P A -0.2689
382 G A -0.0389
383 F A 0.1607
384 T A -0.1831
385 G A -0.4783
386 G A -0.5324
387 A A -0.0492
388 C A 0.0000
389 D A -2.0069
390 Q A -1.6131
391 D A -0.6078
392 V A -0.0021
393 D A -1.0489
394 E A -0.4647
395 C A 0.0660
396 S A 0.1798
397 I A 1.8879
398 G A -0.0835
399 A A -0.2354
400 N A -1.1303
401 P A -0.2362
402 C A 0.0000
403 E A -1.5333
404 H A -0.5764
405 L A 1.4396
406 G A 0.0000
407 R A -1.9691
408 C A 0.0000
409 V A 0.4560
410 N A -0.2487
411 T A -0.2767
412 Q A -1.2188
413 G A -0.3206
414 S A -0.0347
415 F A 0.7931
416 L A 1.6476
417 C A 0.1321
418 Q A -1.3323
419 C A -0.0353
420 G A -0.5890
421 R A -1.9071
422 G A -0.1370
423 Y A 0.0065
424 T A -0.0354
425 G A -0.2069
426 P A -0.5288
427 R A -1.4230
428 C A 0.0000
429 E A -1.0605
430 T A -0.4904
431 D A -1.2694
432 V A 0.1644
433 N A -0.7429
434 E A -0.8312
435 C A 0.2724
436 L A 1.5316
437 S A -0.0141
438 G A -0.5106
439 P A -0.1002
440 C A -0.1700
441 R A -1.9437
442 N A -1.1840
443 Q A -1.3104
444 A A -0.2182
445 T A -0.0005
446 C A 0.2680
447 L A 0.5813
448 D A -0.6385
449 R A -1.6759
450 I A 1.6666
451 G A 0.0000
452 Q A -1.3275
453 F A 0.0144
454 T A 0.0173
455 C A 0.0000
456 I A 0.4396
457 C A 0.0000
458 M A 0.1680
459 A A 0.0407
460 G A -0.2161
461 F A -0.0457
462 T A -0.0481
463 G A -0.2523
464 T A 0.0092
465 Y A 0.6732
466 C A 0.0000
467 E A -0.5034
468 V A 0.7365
469 D A -1.3022
470 I A 0.3091
471 D A -1.6665
472 E A -1.3759
473 C A -0.3225
474 Q A -1.2204
475 S A -0.4682
476 S A -0.2598
477 P A -0.0752
478 C A 0.2537
479 V A 0.8871
480 N A -0.8910
481 G A -0.6566
482 G A 0.2007
483 V A 1.7867
484 C A 0.2109
485 K A -1.7414
486 D A -2.2945
487 R A -1.8435
488 V A 1.2028
489 N A -0.9769
490 G A -0.2027
491 F A 0.5144
492 S A 0.1153
493 C A 0.0981
494 T A 0.0034
495 C A 0.1374
496 P A -0.0919
497 S A -0.2383
498 G A -0.2982
499 F A -0.0187
500 S A 0.0308
501 G A -0.3967
502 S A -0.2769
503 T A -0.0433
504 G A 0.0000
505 Q A -0.9464
506 L A 0.8379
507 D A -1.3810
508 V A 0.0019
509 D A -1.8248
510 E A -1.1686
511 C A -0.0457
512 A A 0.0379
513 S A -0.2149
514 T A -0.1143
515 P A -0.0429
516 C A 0.0000
517 R A -1.6105
518 N A -1.3772
519 G A -0.6500
520 A A -0.3551
521 K A -1.6851
522 C A -0.1366
523 V A 0.2145
524 D A -1.6395
525 Q A -1.2023
526 P A -0.7324
527 D A -1.8646
528 G A -0.3366
529 Y A 0.0538
530 E A -1.2743
531 C A -0.5090
532 R A -1.7824
533 C A -0.0834
534 A A -0.2609
535 E A -1.8266
536 G A -0.3310
537 F A -0.0939
538 E A -1.6834
539 G A -0.6169
540 T A -0.0532
541 L A 0.3866
542 C A 0.0000
543 D A -2.1219
544 R A -2.2686
545 N A -0.7169
546 V A 0.3113
547 D A -1.7788
548 D A -0.9923
549 C A -0.2661
550 S A -0.2660
551 P A -0.6311
552 D A -1.8286
553 P A -0.3537
554 C A 0.0000
555 H A -1.0756
556 H A -0.6756
557 G A -0.5031
558 R A -1.8615
559 C A 0.0000
560 V A 1.6066
561 D A -0.5623
562 G A 0.0350
563 I A 1.9938
564 A A 0.3615
565 S A -0.0902
566 F A 0.2677
567 S A -0.1121
568 C A 0.0640
569 A A -0.0733
570 C A 0.2476
571 A A 0.0143
572 P A -0.2587
573 G A -0.2988
574 Y A 0.0828
575 T A -0.0460
576 G A -0.2881
577 T A -0.3027
578 R A -1.0362
579 C A 0.0000
580 E A -1.5828
581 S A -0.6036
582 Q A -1.0443
583 V A 0.3770
584 D A -0.7145
585 E A -0.4487
586 C A -0.2916
587 R A -1.8653
588 S A -0.7658
589 Q A -1.2419
590 P A -0.2316
591 C A -0.2822
592 R A -1.7630
593 H A -0.7790
594 G A -0.5437
595 G A -0.4078
596 K A -1.6966
597 C A -0.1521
598 L A 0.0781
599 D A -1.5520
600 L A 0.5616
601 V A 1.5813
602 D A -1.7511
603 K A -1.7069
604 Y A 0.0274
605 L A 1.1604
606 C A -0.0326
607 R A -1.7782
608 C A -0.0850
609 P A -0.0837
610 S A -0.2471
611 G A -0.3087
612 T A 0.0000
613 T A -0.0814
614 G A 0.0826
615 V A 1.6891
616 N A 0.1013
617 C A 0.0000
618 E A -0.6122
619 V A 0.8449
620 N A -0.1672
621 I A 1.2657
622 D A -1.6501
623 D A -1.2984
624 C A -0.0918
625 A A 0.0334
626 S A -0.4264
627 N A -1.3203
628 P A -0.2707
629 C A 0.1486
630 T A 0.1008
631 F A 0.8029
632 G A 0.3333
633 V A 1.7815
634 C A 0.1353
635 R A -1.9101
636 D A -0.7748
637 G A -0.2485
638 I A 0.2194
639 N A -1.5339
640 R A -1.9886
641 Y A -0.2145
642 D A -1.6909
643 C A 0.0000
644 V A 0.7874
645 C A 0.1332
646 Q A -0.8302
647 P A -0.4025
648 G A 0.0000
649 F A -0.0854
650 T A 0.1478
651 G A -0.2102
652 P A -0.1334
653 L A 0.7908
654 C A 0.0000
655 N A -0.9672
656 V A 1.1724
657 E A -1.2849
658 I A 0.5445
659 N A -1.1279
660 E A -0.5336
661 C A 0.1057
662 A A 0.0487
663 S A -0.2408
664 S A -0.2615
665 P A -0.0810
666 C A 0.0420
667 G A -0.4863
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1936 D A 0.0000
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1938 L A 0.1853
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1940 K A 0.0000
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1944 H A 0.0000
1945 W A 0.2050
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1950 N A -0.3057
1951 N A -0.1303
1952 V A 0.0856
1953 E A -1.7395
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4818
1957 A A 0.0000
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1960 K A -1.9033
1961 N A -1.6666
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1963 A A 0.0000
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1965 K A -0.7835
1966 D A -0.4693
1967 M A -0.0631
1968 Q A -0.8434
1969 D A 0.0000
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1971 K A -0.9805
1972 E A -1.7501
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 -0.5753
1982 E A -0.8043
1983 G A -0.2842
1984 S A 0.0000
1985 Y A 0.1317
1986 E A -1.5790
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1839
1990 L A -0.0018
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8521
1994 H A -0.3248
1995 F A 1.8792
1996 A A 0.0000
1997 N A -0.5128
1998 R A -0.8155
1999 E A -1.8385
2000 I A -0.0272
2001 T A -0.1052
2002 D A 0.0000
2003 H A -0.7186
2004 L A 1.0272
2005 D A -1.5956
2006 R A -0.6705
2007 L A 0.3388
2008 P A 0.0000
2009 R A -1.1561
2010 D A -1.3268
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0856
2014 E A -2.0388
2015 R A -0.6029
2016 L A 0.4806
2017 H A -0.1954
2018 Q A -1.3339
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2023 L A 0.0000
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2100 S A 0.0908
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2265 D A -0.1479
2266 W A 1.1214
2267 S A 0.0666
2268 E A -0.9306
2269 S A -0.3905
2270 T A -0.1559
2271 P A -0.3067
2272 S A -0.3053
2273 P A -0.2825
2274 A A -0.0021
2275 T A -0.0483
2276 A A 0.0321
2277 T A -0.1459
2278 G A -0.4688
2279 A A 0.1687
2280 M A 1.0772
2281 A A 0.2808
2282 T A -0.0764
2283 T A -0.1004
2284 T A -0.1713
2285 G A -0.4687
2286 A A 0.2775
2287 L A 1.5093
2288 P A 0.0590
2289 A A -0.2072
2290 Q A -1.2356
2291 P A -0.1890
2292 L A 1.4536
2293 P A 0.3103
2294 L A 1.4603
2295 S A 0.4168
2296 V A 1.6871
2297 P A 0.0113
2298 S A -0.3146
2299 S A 0.0477
2300 L A 1.5178
2301 A A 0.1187
2302 Q A -1.1746
2303 A A -0.4704
2304 Q A -1.1976
2305 T A -0.5226
2306 Q A -0.9165
2307 L A 1.2324
2308 G A -0.2283
2309 P A -0.5750
2310 Q A -1.2947
2311 P A -0.8355
2312 E A -1.5065
2313 V A 1.3871
2314 T A 0.2026
2315 P A -0.5924
2316 K A -2.1223
2317 R A -2.4470
2318 Q A -1.2664
2319 V A 1.8353
2320 L A 1.8885
2321 A A 0.4260
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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 0.0024 4.6788 View CSV PDB
4.5 -0.0297 4.6788 View CSV PDB
5.0 -0.069 4.6788 View CSV PDB
5.5 -0.1095 4.6788 View CSV PDB
6.0 -0.1461 4.6788 View CSV PDB
6.5 -0.1756 4.6788 View CSV PDB
7.0 -0.198 4.6788 View CSV PDB
7.5 -0.2158 4.6788 View CSV PDB
8.0 -0.2305 4.6788 View CSV PDB
8.5 -0.2419 4.6788 View CSV PDB
9.0 -0.2486 4.6788 View CSV PDB