Project name: C65Y_5

Status: done

Started: 2026-05-18 02:49:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAAYLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:49)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/294582dd970abba/tmp/folded.pdb                (00:17:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:54)
Show buried residues

Minimal score value
-2.6259
Maximal score value
2.7209
Average score
-0.2793
Total score value
-648.1462

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 0.9674
2 G A -0.3198
3 P A -0.4331
4 G A -0.5049
5 A A -0.4361
6 R A -1.9285
7 G A -1.2206
8 R A -2.2788
9 R A -2.6215
10 R A -2.6259
11 R A -2.5444
12 R A -2.5749
13 R A -2.2690
14 P A -0.4084
15 M A 0.9655
16 S A -0.0642
17 P A -0.3480
18 P A -0.3556
19 P A -0.3499
20 P A -0.3592
21 P A -0.3585
22 P A -0.3503
23 P A 0.0579
24 V A 1.3844
25 R A -1.5071
26 A A 0.0038
27 L A 1.5096
28 P A 0.3332
29 L A 1.7890
30 L A 2.1238
31 L A 2.1215
32 L A 2.1223
33 L A 1.8463
34 A A 0.2626
35 G A -0.5022
36 P A -0.4270
37 G A -0.5029
38 A A -0.0170
39 A A 0.0801
40 A A 0.0542
41 P A -0.1157
42 P A -0.2316
43 C A 0.3435
44 L A 1.2380
45 D A -1.5886
46 G A -0.7953
47 S A -0.1728
48 P A -0.2473
49 C A -0.0388
50 A A -0.1210
51 N A -0.9592
52 G A -0.6354
53 G A -0.4463
54 R A -1.8181
55 C A -0.0661
56 T A -0.1225
57 Q A -0.5612
58 L A 0.7535
59 P A -0.1255
60 S A -0.5862
61 R A -2.2182
62 E A -2.1583
63 A A -0.4179
64 A A 0.1417
65 Y A 1.0144
66 L A 1.7111
67 C A 0.4467
68 P A -0.0827
69 P A -0.2808
70 G A -0.0982
71 W A 0.0369
72 V A 0.2888
73 G A 0.0000
74 E A -1.6581
75 R A -0.8793
76 C A 0.0000
77 Q A -0.5269
78 L A -0.1777
79 E A -1.7840
80 D A -0.5941
81 P A -0.0711
82 C A -0.0770
83 H A -1.0090
84 S A -0.4768
85 G A -0.5157
86 P A -0.1326
87 C A -0.0010
88 A A -0.0060
89 G A -0.5858
90 R A -1.9024
91 G A -0.0471
92 V A 1.7898
93 C A 0.3055
94 Q A -1.0080
95 S A -0.1630
96 S A -0.0622
97 V A 0.7741
98 V A 1.7097
99 A A 0.2677
100 G A -0.4650
101 T A -0.1353
102 A A 0.0000
103 R A -1.5567
104 F A 0.2462
105 S A -0.0852
106 C A -0.2819
107 R A -1.7862
108 C A -0.1425
109 P A -0.3783
110 R A -1.8711
111 G A -0.2326
112 F A 0.9362
113 R A -0.3202
114 G A -0.2754
115 P A -0.3977
116 D A -0.6913
117 C A 0.0000
118 S A -0.0396
119 L A 0.6244
120 P A -0.0288
121 D A -0.2958
122 P A -0.0791
123 C A 0.2200
124 L A 0.8081
125 S A -0.0990
126 S A -0.2593
127 P A -0.0712
128 C A 0.0684
129 A A -0.1190
130 H A -0.8773
131 G A -0.6078
132 A A -0.3917
133 R A -1.8269
134 C A -0.2878
135 S A -0.0510
136 V A 0.7621
137 G A 0.0000
138 P A -0.5794
139 D A -1.8554
140 G A -0.7630
141 R A -1.7943
142 F A 0.2701
143 L A 0.8487
144 C A 0.2075
145 S A -0.1485
146 C A 0.2028
147 P A -0.0712
148 P A -0.2803
149 G A -0.0997
150 Y A -0.1689
151 Q A -1.2563
152 G A -1.0327
153 R A -1.9401
154 S A -0.3744
155 C A 0.0000
156 R A -1.8835
157 S A -0.6936
158 D A -0.7115
159 V A 0.0925
160 D A -0.3812
161 E A -0.8501
162 C A -0.3575
163 R A -1.4996
164 V A 1.3926
165 G A -0.2461
166 E A -1.8743
167 P A -0.3874
168 C A 0.0000
169 R A -1.9931
170 H A -1.2394
171 G A -0.6246
172 G A -0.1260
173 T A -0.0581
174 C A 0.2432
175 L A 0.5464
176 N A -0.4102
177 T A -0.1151
178 P A -0.2696
179 G A -0.1590
180 S A -0.0920
181 F A -0.0527
182 R A -1.7533
183 C A -0.4585
184 Q A -1.1392
185 C A -0.0193
186 P A -0.0530
187 A A 0.0226
188 G A -0.0046
189 Y A 0.3435
190 T A 0.0213
191 G A -0.2204
192 P A -0.2073
193 L A 0.3931
194 C A 0.0000
195 E A -0.7401
196 N A -1.3255
197 P A -0.4096
198 A A 0.2942
199 V A 1.5296
200 P A 0.2797
201 C A 0.1271
202 A A -0.0130
203 P A -0.2678
204 S A -0.1785
205 P A -0.0675
206 C A -0.3145
207 R A -1.9964
208 N A -1.3230
209 G A -0.6358
210 G A -0.1138
211 T A -0.0606
212 C A -0.2483
213 R A -2.0521
214 Q A -1.5220
215 S A -0.4088
216 G A -0.5302
217 D A -1.5796
218 L A 0.9984
219 T A 0.2429
220 Y A -0.1111
221 D A -1.7085
222 C A 0.0000
223 A A 0.0653
224 C A 0.3905
225 L A 0.8914
226 P A -0.1022
227 G A -0.2838
228 F A -0.1721
229 E A -1.8125
230 G A -0.7424
231 Q A -1.2844
232 N A -0.4970
233 C A 0.0000
234 E A -1.1745
235 V A 0.7584
236 N A -0.0532
237 V A 0.2729
238 D A -1.7475
239 D A -0.7733
240 C A -0.0374
241 P A -0.3238
242 G A -0.6023
243 H A -0.9141
244 R A -1.9212
245 C A 0.0159
246 L A 1.2090
247 N A -0.6575
248 G A -0.6222
249 G A -0.1225
250 T A -0.0622
251 C A 0.2869
252 V A 0.9676
253 D A -0.4500
254 G A 0.1194
255 V A 1.5209
256 N A -0.9736
257 T A -0.2599
258 Y A -0.1086
259 N A -1.2148
260 C A -0.3658
261 Q A -1.1533
262 C A -0.0767
263 P A -0.0695
264 P A -0.3817
265 E A -0.6873
266 W A -0.0302
267 T A -0.2271
268 G A -0.4182
269 Q A -1.1842
270 F A 0.0672
271 C A 0.0000
272 T A -0.3887
273 E A -1.9276
274 D A -0.7938
275 V A -0.0038
276 D A -0.4612
277 E A -0.1720
278 C A -0.1595
279 Q A -0.8970
280 L A 1.0825
281 Q A -0.9620
282 P A -0.7004
283 N A -1.3178
284 A A -0.2225
285 C A 0.0000
286 H A -1.1116
287 N A -0.9639
288 G A -0.4779
289 G A -0.0898
290 T A 0.0031
291 C A 0.2754
292 F A 0.7426
293 N A -0.5203
294 T A 0.0752
295 L A 1.5059
296 G A 0.0372
297 G A -0.1692
298 H A -0.4496
299 S A -0.2280
300 C A 0.2061
301 V A 0.7730
302 C A 0.3621
303 V A 0.0433
304 N A -1.2284
305 G A 0.0000
306 W A 0.1258
307 T A -0.0360
308 G A -0.5462
309 E A -1.8718
310 S A -0.4033
311 C A 0.0000
312 S A -0.4321
313 Q A -1.3040
314 N A -0.3892
315 I A 0.5443
316 D A -1.7020
317 D A -0.7766
318 C A 0.0504
319 A A 0.0682
320 T A -0.0587
321 A A 0.3359
322 V A 1.7954
323 C A 0.6588
324 F A 0.8318
325 H A -0.8943
326 G A -0.6440
327 A A -0.0595
328 T A -0.0385
329 C A 0.0828
330 H A -0.4183
331 D A -0.8125
332 R A -1.6801
333 V A 1.0668
334 A A 0.2611
335 S A -0.2327
336 F A 0.4469
337 Y A 0.9052
338 C A 0.0000
339 A A 0.0772
340 C A 0.2680
341 P A 0.1541
342 M A 1.0202
343 G A -0.0473
344 K A -0.8855
345 T A -0.1305
346 G A 0.1819
347 L A 1.5982
348 L A 0.6323
349 C A 0.0000
350 H A -0.3985
351 L A -0.1722
352 D A -1.8929
353 D A -0.7932
354 A A -0.0446
355 C A 0.3581
356 V A 1.5002
357 S A -0.1627
358 N A -1.3320
359 P A -0.3324
360 C A 0.0090
361 H A -0.5797
362 E A -2.1916
363 D A -2.1176
364 A A 0.0747
365 I A 2.0424
366 C A 0.2107
367 D A -1.7612
368 T A 0.0000
369 N A -0.3866
370 P A 0.0021
371 V A 1.4981
372 N A -0.9694
373 G A -0.6208
374 R A -1.6603
375 A A -0.1594
376 I A 0.7782
377 C A 0.2389
378 T A -0.0152
379 C A 0.1771
380 P A -0.0363
381 P A -0.2689
382 G A -0.0316
383 F A 0.1986
384 T A -0.0597
385 G A -0.4884
386 G A -0.5343
387 A A -0.0494
388 C A 0.0000
389 D A -2.0066
390 Q A -1.5947
391 D A -0.5243
392 V A 0.0477
393 D A -0.9161
394 E A -0.4578
395 C A 0.0207
396 S A 0.1721
397 I A 1.8879
398 G A -0.0836
399 A A -0.2405
400 N A -1.1599
401 P A -0.2391
402 C A 0.0000
403 E A -1.5763
404 H A -0.5325
405 L A 1.4494
406 G A 0.0000
407 R A -1.9673
408 C A 0.0000
409 V A 0.6262
410 N A -0.2573
411 T A -0.2838
412 Q A -1.2180
413 G A -0.3181
414 S A -0.0394
415 F A 0.7692
416 L A 1.6136
417 C A 0.1261
418 Q A -1.3300
419 C A -0.0350
420 G A -0.5830
421 R A -1.8971
422 G A 0.0000
423 Y A 0.0284
424 T A 0.0009
425 G A -0.1576
426 P A -0.5171
427 R A -1.4016
428 C A 0.0000
429 E A -1.0552
430 T A -0.4691
431 D A -1.1327
432 V A 0.2809
433 N A -0.9352
434 E A -0.5155
435 C A 0.3353
436 L A 1.5308
437 S A -0.0139
438 G A -0.5116
439 P A -0.1057
440 C A -0.1626
441 R A -1.9365
442 N A -1.1443
443 Q A -1.3031
444 A A -0.1992
445 T A -0.0414
446 C A 0.2270
447 L A 0.3589
448 D A -0.7553
449 R A -1.6311
450 I A 1.3539
451 G A 0.0000
452 Q A -1.1240
453 F A 0.1025
454 T A 0.0327
455 C A 0.4136
456 I A 1.8585
457 C A 0.6466
458 M A 0.5514
459 A A 0.1404
460 G A -0.2574
461 F A 0.0000
462 T A -0.0850
463 G A -0.2586
464 T A 0.0214
465 Y A 0.7473
466 C A 0.0000
467 E A -0.3948
468 V A 0.7706
469 D A -1.3541
470 I A 0.4165
471 D A -1.6492
472 E A -1.2240
473 C A -0.2924
474 Q A -1.2202
475 S A -0.4678
476 S A -0.2587
477 P A -0.0690
478 C A 0.2561
479 V A 0.9241
480 N A -0.7763
481 G A -0.6369
482 G A 0.2025
483 V A 1.7873
484 C A 0.2232
485 K A -1.6956
486 D A -2.3004
487 R A -1.8418
488 V A 1.2032
489 N A -0.9802
490 G A -0.2338
491 F A 0.3828
492 S A 0.0942
493 C A 0.1052
494 T A 0.0062
495 C A 0.1469
496 P A -0.1053
497 S A -0.2416
498 G A -0.2861
499 F A 0.0026
500 S A 0.0254
501 G A -0.4255
502 S A -0.2821
503 T A -0.0431
504 C A 0.0000
505 Q A -0.9530
506 L A 0.8026
507 D A -1.3900
508 V A -0.0190
509 D A -1.8365
510 E A -1.2144
511 C A -0.0566
512 A A 0.0376
513 S A -0.2149
514 T A -0.1145
515 P A -0.0444
516 C A 0.0000
517 R A -1.6113
518 N A -1.3823
519 G A -0.6507
520 A A -0.3545
521 K A -1.6852
522 C A -0.1364
523 V A 0.1909
524 D A -1.7940
525 Q A -1.2643
526 P A -0.7387
527 D A -1.8649
528 G A -0.3468
529 Y A -0.0031
530 E A -1.2747
531 C A -0.5072
532 R A -1.7822
533 C A -0.0823
534 A A -0.2606
535 E A -1.8271
536 G A -0.3323
537 F A 0.0129
538 E A -1.2199
539 G A -0.5052
540 T A -0.0500
541 L A 0.3764
542 C A 0.0000
543 D A -2.1212
544 R A -2.2356
545 N A -0.5319
546 V A 0.4188
547 D A -1.7008
548 D A -0.9691
549 C A -0.2620
550 S A -0.2658
551 P A -0.6312
552 D A -1.8231
553 P A 0.0000
554 C A 0.0000
555 H A -1.0747
556 H A -0.6708
557 G A -0.5037
558 R A -1.8618
559 C A 0.0000
560 V A 1.6047
561 D A -0.5632
562 G A 0.0359
563 I A 1.9941
564 A A 0.3615
565 S A -0.0779
566 F A 0.3313
567 S A -0.1002
568 C A 0.0641
569 A A -0.0745
570 C A 0.2422
571 A A 0.0136
572 P A -0.2500
573 G A 0.0000
574 Y A 0.0090
575 T A -0.0635
576 G A -0.2928
577 T A -0.3083
578 R A -1.0632
579 C A 0.0000
580 E A -1.7615
581 S A -0.6722
582 Q A -1.0616
583 V A 0.3582
584 D A -0.8585
585 E A -0.4808
586 C A -0.2782
587 R A -1.8626
588 S A -0.7646
589 Q A -1.2417
590 P A -0.2454
591 C A 0.0000
592 R A -1.8980
593 H A -0.8144
594 G A -0.5358
595 G A 0.0000
596 K A -1.7000
597 C A 0.0000
598 L A 0.0612
599 D A -1.5058
600 L A 0.8085
601 V A 1.6288
602 D A -1.7791
603 K A -1.8649
604 Y A -0.0131
605 L A 1.1666
606 C A -0.0627
607 R A -1.7822
608 C A -0.0766
609 P A -0.0857
610 S A -0.2478
611 G A -0.2965
612 T A 0.0000
613 T A 0.0298
614 G A 0.0854
615 V A 1.6936
616 N A 0.1087
617 C A 0.0000
618 E A -0.5842
619 V A 0.8973
620 N A -0.1817
621 I A 0.8333
622 D A -1.7194
623 D A -1.2374
624 C A -0.0825
625 A A 0.0333
626 S A -0.4286
627 N A -1.3218
628 P A -0.2764
629 C A 0.1265
630 T A 0.1326
631 F A 1.0179
632 G A 0.3409
633 V A 1.7809
634 C A 0.1218
635 R A -1.9110
636 D A -0.7545
637 G A -0.2087
638 I A 0.2812
639 N A -1.5217
640 R A -1.9768
641 Y A -0.1603
642 D A -1.6819
643 C A 0.0000
644 V A 0.6080
645 C A 0.0313
646 Q A -1.2247
647 P A -0.6041
648 G A 0.0000
649 F A -0.0661
650 T A 0.1431
651 G A -0.2128
652 P A -0.1650
653 L A 0.6175
654 C A 0.0000
655 N A -0.9776
656 V A 1.1098
657 E A -1.2873
658 I A 0.5602
659 N A -1.1207
660 E A -0.5137
661 C A 0.0971
662 A A 0.0463
663 S A -0.2410
664 S A -0.2620
665 P A -0.0823
666 C A 0.0429
667 G A -0.4891
668 E A -1.9365
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1940 K A -0.1932
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2102
1946 A A 0.0000
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1949 V A 0.7908
1950 N A -0.3330
1951 N A -0.1322
1952 V A 0.0930
1953 E A -1.7383
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6219
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1960 K A -1.8949
1961 N A -1.6208
1962 G A -0.6894
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1965 K A -0.8713
1966 D A -0.7356
1967 M A -0.0778
1968 Q A -0.6807
1969 D A 0.0000
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1971 K A -1.4406
1972 E A -1.5865
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 -0.7976
1982 E A -1.8713
1983 G A -0.4795
1984 S A 0.0000
1985 Y A 0.1036
1986 E A -1.2624
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1120
1990 L A 0.0315
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8504
1994 H A -0.3160
1995 F A 1.8808
1996 A A 0.0000
1997 N A -0.4930
1998 R A -0.8261
1999 E A -1.8374
2000 I A -0.0054
2001 T A -0.1022
2002 D A 0.0000
2003 H A -0.6070
2004 L A 1.0704
2005 D A -1.5986
2006 R A -0.7097
2007 L A 0.3336
2008 P A 0.0000
2009 R A -1.2007
2010 D A -1.2458
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.8871
2014 E A -2.2793
2015 R A -1.8935
2016 L A 1.1058
2017 H A -0.0730
2018 Q A -0.9546
2019 D A -0.9672
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2021 V A 0.0000
2022 R A -2.0134
2023 L A 0.0000
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2100 S A 0.0353
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2267 S A -0.4110
2268 E A -1.9121
2269 S A -0.5787
2270 T A -0.1668
2271 P A -0.3126
2272 S A -0.3163
2273 P A -0.2873
2274 A A -0.0043
2275 T A -0.0469
2276 A A 0.0284
2277 T A -0.1478
2278 G A -0.4690
2279 A A 0.1664
2280 M A 1.0786
2281 A A 0.3023
2282 T A -0.0739
2283 T A -0.0991
2284 T A -0.1728
2285 G A -0.4689
2286 A A 0.2580
2287 L A 1.5115
2288 P A 0.0410
2289 A A -0.2091
2290 Q A -1.2347
2291 P A -0.1925
2292 L A 1.4496
2293 P A 0.3452
2294 L A 1.4602
2295 S A 0.4001
2296 V A 1.6874
2297 P A 0.0294
2298 S A -0.3022
2299 S A -0.0289
2300 L A 1.2224
2301 A A 0.0728
2302 Q A -1.1795
2303 A A -0.3857
2304 Q A -1.1944
2305 T A -0.4200
2306 Q A -0.6744
2307 L A 1.3190
2308 G A -0.0574
2309 P A -0.5283
2310 Q A -1.2912
2311 P A -0.8035
2312 E A -1.5414
2313 V A 1.4262
2314 T A 0.2078
2315 P A -0.5779
2316 K A -2.0851
2317 R A -2.3796
2318 Q A -1.2125
2319 V A 1.8392
2320 L A 1.8899
2321 A A 0.3453
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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 0.0034 4.958 View CSV PDB
4.5 -0.0287 4.958 View CSV PDB
5.0 -0.0679 4.958 View CSV PDB
5.5 -0.1086 4.958 View CSV PDB
6.0 -0.1455 4.958 View CSV PDB
6.5 -0.1756 4.958 View CSV PDB
7.0 -0.1985 4.958 View CSV PDB
7.5 -0.2165 4.958 View CSV PDB
8.0 -0.2311 4.958 View CSV PDB
8.5 -0.242 4.958 View CSV PDB
9.0 -0.2479 4.958 View CSV PDB