Project name: E1492K_5

Status: done

Started: 2026-06-12 14:02:44
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEKCGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:40)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:53:04)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/79ec6b1c2befbbc/tmp/folded.pdb                (00:53:04)
[INFO]       Main:     Simulation completed successfully.                                          (01:21:52)
Show buried residues

Minimal score value
-2.628
Maximal score value
2.2858
Average score
-0.2772
Total score value
-643.4599

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 0.9675
2 G A -0.3173
3 P A -0.4534
4 G A -0.5189
5 A A -0.3644
6 R A -1.9186
7 G A -1.1294
8 R A -2.3522
9 R A -2.6047
10 R A -2.5245
11 R A -2.6280
12 R A -2.6259
13 R A -2.2336
14 P A -0.3974
15 M A 0.9676
16 S A -0.0642
17 P A -0.3394
18 P A -0.3472
19 P A -0.3474
20 P A -0.3476
21 P A -0.3475
22 P A -0.3476
23 P A 0.0267
24 V A 1.3870
25 R A -1.5077
26 A A 0.0038
27 L A 1.5120
28 P A 0.3183
29 L A 1.7889
30 L A 2.1250
31 L A 2.1281
32 L A 2.1270
33 L A 1.8459
34 A A 0.2629
35 G A -0.5018
36 P A -0.4269
37 G A -0.5032
38 A A -0.0171
39 A A 0.0802
40 A A 0.0487
41 P A -0.1375
42 P A -0.1903
43 C A 0.3653
44 L A 1.2430
45 D A -1.5917
46 G A -0.8291
47 S A -0.2969
48 P A -0.1057
49 C A -0.1581
50 A A -0.1238
51 N A -0.9559
52 G A -0.6254
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1103
57 Q A -0.3653
58 L A 0.6106
59 P A -0.1581
60 S A -0.5858
61 R A -2.2156
62 E A -2.1535
63 A A -0.3724
64 A A 0.0321
65 C A 0.3776
66 L A 1.6079
67 C A 0.5106
68 P A -0.0718
69 P A -0.2789
70 G A -0.0671
71 W A 0.1749
72 V A 0.3054
73 G A -0.3707
74 E A -2.1382
75 R A -2.0051
76 C A 0.0000
77 Q A -0.5095
78 L A -0.2219
79 E A -1.7786
80 D A -0.5727
81 P A -0.0658
82 C A -0.0762
83 H A -1.0088
84 S A -0.4769
85 G A -0.5156
86 P A -0.1316
87 C A -0.0142
88 A A 0.0028
89 G A -0.5306
90 R A -1.8920
91 G A -0.0479
92 V A 1.7556
93 C A 0.3564
94 Q A -0.5043
95 S A -0.0947
96 S A -0.0693
97 V A 1.0886
98 V A 1.9310
99 A A 0.2990
100 G A -0.4652
101 T A -0.1363
102 A A 0.0000
103 R A -1.7048
104 F A 0.3498
105 S A -0.0580
106 C A -0.2795
107 R A -1.7838
108 C A -0.1325
109 P A -0.3720
110 R A -1.8687
111 G A -0.2638
112 F A 0.8857
113 R A -0.2599
114 G A -0.2691
115 P A -0.4113
116 D A -0.7596
117 C A 0.0000
118 S A -0.0477
119 L A 0.6666
120 P A -0.0721
121 D A -0.5375
122 P A -0.1004
123 C A 0.2518
124 L A 0.7805
125 S A -0.1055
126 S A -0.2592
127 P A -0.0710
128 C A 0.0704
129 A A -0.1237
130 H A -0.9033
131 G A -0.6135
132 A A -0.3932
133 R A -1.8135
134 C A -0.1969
135 S A 0.0519
136 V A 0.6619
137 G A 0.0152
138 P A -0.5905
139 D A -1.8480
140 G A -0.7240
141 R A -1.7880
142 F A 0.3270
143 L A 1.2689
144 C A 0.2756
145 S A -0.1550
146 C A 0.1838
147 P A -0.0714
148 P A -0.2794
149 G A -0.0969
150 Y A -0.1499
151 Q A -1.2555
152 G A -1.0244
153 R A -1.9382
154 S A -0.3735
155 C A 0.0000
156 R A -1.8821
157 S A -0.6581
158 D A -0.5685
159 V A 0.0652
160 D A -0.7361
161 E A -0.9411
162 C A -0.3418
163 R A -1.4947
164 V A 1.3861
165 G A -0.2773
166 E A -1.8785
167 P A -0.3803
168 C A 0.0000
169 R A -2.0044
170 H A -1.2983
171 G A -0.6344
172 G A -0.1332
173 T A -0.0572
174 C A 0.2809
175 L A 0.6702
176 N A -0.6919
177 T A -0.1745
178 P A -0.2690
179 G A -0.1590
180 S A -0.1154
181 F A -0.1366
182 R A -1.7600
183 C A -0.4611
184 Q A -1.1485
185 C A -0.0722
186 P A -0.0662
187 A A -0.0097
188 G A -0.1774
189 Y A 0.3236
190 T A 0.0323
191 G A -0.2234
192 P A -0.2193
193 L A 0.3317
194 C A 0.0000
195 E A -0.9632
196 N A -1.1963
197 P A -0.3766
198 A A 0.1938
199 V A 1.0678
200 P A 0.1934
201 C A 0.1321
202 A A -0.0186
203 P A -0.2692
204 S A -0.1750
205 P A -0.0914
206 C A 0.0000
207 R A -1.9808
208 N A -1.1646
209 G A -0.6074
210 G A -0.1366
211 T A -0.0358
212 C A 0.0000
213 R A -2.0663
214 Q A -1.4938
215 S A -0.4013
216 G A -0.5411
217 D A -1.5420
218 L A 1.2141
219 T A 0.2910
220 Y A 0.0115
221 D A -1.3685
222 C A 0.0000
223 A A 0.0008
224 C A 0.0000
225 L A 0.0923
226 P A -0.2021
227 G A -0.3002
228 F A -0.0990
229 E A -0.9699
230 G A 0.0000
231 Q A -0.9007
232 N A -0.4026
233 C A 0.0000
234 E A -0.2915
235 V A 0.6548
236 N A -0.0864
237 V A 0.1468
238 D A -1.7702
239 D A -0.7629
240 C A -0.0376
241 P A -0.3245
242 G A -0.5978
243 H A -0.8851
244 R A -1.9286
245 C A 0.0000
246 L A 1.2650
247 N A -0.6149
248 G A -0.6173
249 G A -0.1208
250 T A -0.0619
251 C A 0.2893
252 V A 0.9666
253 D A -0.5582
254 G A 0.0388
255 V A 1.3983
256 N A -0.9954
257 T A -0.2668
258 Y A -0.1566
259 N A -1.2202
260 C A -0.3702
261 Q A -1.1543
262 C A -0.0834
263 P A -0.0743
264 P A -0.3874
265 E A -0.6934
266 W A -0.0285
267 T A -0.2249
268 G A -0.3738
269 Q A -1.1733
270 F A 0.0729
271 C A 0.0000
272 T A -0.3888
273 E A -1.9048
274 D A -0.6697
275 V A -0.1181
276 D A -1.2287
277 E A -0.3834
278 C A -0.1342
279 Q A -0.8959
280 L A 1.1104
281 Q A -0.9615
282 P A -0.7027
283 N A -1.3179
284 A A -0.2215
285 C A 0.0000
286 H A -0.8497
287 N A -0.9817
288 G A -0.6158
289 G A -0.1293
290 T A -0.0226
291 C A 0.3887
292 F A 1.3834
293 N A -0.3820
294 T A 0.0757
295 L A 1.5065
296 G A 0.0995
297 G A -0.1793
298 H A -0.6057
299 S A -0.2795
300 C A 0.2512
301 V A 1.0892
302 C A 0.4288
303 V A 0.5138
304 N A -0.1854
305 G A 0.0000
306 W A 0.1148
307 T A -0.0364
308 G A -0.5480
309 E A -1.8660
310 S A -0.3703
311 C A 0.0000
312 S A -0.4114
313 Q A -1.3082
314 N A -0.4314
315 I A 0.5981
316 D A -1.3627
317 D A -0.7938
318 C A 0.0233
319 A A 0.0661
320 T A -0.0587
321 A A 0.3364
322 V A 1.7945
323 C A 0.6557
324 F A 0.7984
325 H A -0.8986
326 G A -0.6455
327 A A -0.0590
328 T A -0.0387
329 C A 0.0490
330 H A -0.5496
331 D A -1.1284
332 R A -1.7577
333 V A 0.9251
334 A A 0.2260
335 S A -0.1914
336 F A 0.5173
337 Y A 1.2852
338 C A 0.0000
339 A A 0.0775
340 C A 0.2741
341 P A 0.1521
342 M A 1.0197
343 G A -0.0152
344 K A -0.7139
345 T A -0.1176
346 G A 0.1399
347 L A 1.5889
348 L A 0.6590
349 C A 0.0000
350 H A -0.4180
351 L A -0.2262
352 D A -1.8859
353 D A -0.8179
354 A A -0.0509
355 C A 0.2998
356 V A 1.0768
357 S A -0.2398
358 N A -1.3298
359 P A -0.3199
360 C A 0.0178
361 H A -0.5334
362 E A -2.1841
363 D A -2.1184
364 A A 0.0763
365 I A 2.0449
366 C A 0.2232
367 D A -1.7587
368 T A 0.0000
369 N A -0.3106
370 P A 0.0186
371 V A 1.5419
372 N A -0.7063
373 G A -0.6428
374 R A -1.8595
375 A A -0.1149
376 I A 1.2011
377 C A 0.3114
378 T A -0.0180
379 C A 0.1824
380 P A -0.0363
381 P A -0.2705
382 G A -0.0369
383 F A 0.1562
384 T A -0.0669
385 G A -0.4789
386 G A -0.5333
387 A A -0.0520
388 C A 0.0000
389 D A -2.0094
390 Q A -1.5969
391 D A -0.4981
392 V A 0.1406
393 D A -0.9300
394 E A -0.4344
395 C A 0.0152
396 S A 0.1714
397 I A 1.8870
398 G A -0.0804
399 A A -0.2271
400 N A -1.0776
401 P A -0.2235
402 C A 0.0000
403 E A -1.5106
404 H A -0.6447
405 L A 1.4269
406 G A 0.0000
407 R A -1.9670
408 C A 0.0000
409 V A 0.5731
410 N A -0.2617
411 T A -0.2708
412 Q A -1.2149
413 G A -0.3146
414 S A -0.0189
415 F A 0.6854
416 L A 1.3763
417 C A 0.0829
418 Q A -1.3315
419 C A -0.0529
420 G A -0.6045
421 R A -1.9100
422 G A -0.0708
423 Y A 0.0110
424 T A -0.0374
425 G A -0.2044
426 P A -0.5073
427 R A -1.3062
428 C A 0.0000
429 E A -1.0664
430 T A -0.4539
431 D A -1.0498
432 V A 0.1907
433 N A -0.6808
434 E A -0.9184
435 C A 0.2458
436 L A 1.5303
437 S A -0.0152
438 G A -0.5119
439 P A -0.1070
440 C A -0.1546
441 R A -1.9606
442 N A -1.2733
443 Q A -1.3264
444 A A -0.2017
445 T A -0.0420
446 C A 0.2774
447 L A 0.6572
448 D A -0.7094
449 R A -1.5692
450 I A 1.6649
451 G A 0.0000
452 Q A -1.0382
453 F A -0.0494
454 T A 0.0293
455 C A 0.4093
456 I A 1.8070
457 C A 0.6264
458 M A 0.5871
459 A A 0.1462
460 G A -0.2504
461 F A -0.0412
462 T A -0.0465
463 G A -0.2657
464 T A 0.0351
465 Y A 0.8252
466 C A 0.0000
467 E A -0.4940
468 V A 0.6745
469 D A -1.4136
470 I A 0.1004
471 D A -1.7480
472 E A -1.3165
473 C A -0.3052
474 Q A -1.2197
475 S A -0.4686
476 S A -0.2596
477 P A -0.0714
478 C A 0.2595
479 V A 0.9115
480 N A -0.8419
481 G A -0.6488
482 G A 0.2017
483 V A 1.7874
484 C A 0.2217
485 K A -1.7009
486 D A -2.3053
487 R A -1.8430
488 V A 1.2046
489 N A -0.9772
490 G A -0.2278
491 F A 0.3364
492 S A 0.0929
493 C A 0.0988
494 T A 0.0007
495 C A 0.1399
496 P A -0.1108
497 S A -0.2416
498 G A -0.3669
499 F A 0.0251
500 S A 0.0290
501 G A -0.3974
502 S A -0.2774
503 T A -0.0420
504 C A 0.0000
505 Q A -0.9650
506 L A 0.7048
507 D A -1.4123
508 V A -0.0987
509 D A -1.8373
510 E A -1.2390
511 C A -0.0620
512 A A 0.0371
513 S A -0.2149
514 T A -0.1159
515 P A -0.0509
516 C A 0.0000
517 R A -1.7947
518 N A -1.3774
519 G A -0.6428
520 A A -0.3614
521 K A -1.6830
522 C A -0.1695
523 V A -0.0054
524 D A -1.5703
525 Q A -0.9816
526 P A -0.7039
527 D A -1.8644
528 G A -0.4196
529 Y A -0.1734
530 E A -1.7192
531 C A -0.5738
532 R A -1.7870
533 C A -0.1270
534 A A -0.2628
535 E A -1.8153
536 G A 0.0000
537 F A -0.1574
538 E A -1.8315
539 G A -0.6381
540 T A -0.0384
541 L A 0.4640
542 C A 0.0000
543 D A -0.8417
544 R A -2.0171
545 N A -0.6070
546 V A 0.3666
547 D A -1.7661
548 D A -0.9599
549 C A -0.2377
550 S A -0.2619
551 P A -0.6339
552 D A -1.8264
553 P A -0.3503
554 C A 0.0000
555 H A -1.0691
556 H A -0.6359
557 G A -0.4951
558 R A -1.8620
559 C A 0.0000
560 V A 1.6021
561 D A -0.5460
562 G A 0.0183
563 I A 1.9898
564 A A 0.3687
565 S A -0.0569
566 F A 0.4678
567 S A -0.0740
568 C A 0.0642
569 A A -0.0704
570 C A 0.2572
571 A A 0.0116
572 P A -0.2625
573 G A -0.3192
574 Y A 0.0365
575 T A -0.0439
576 G A -0.2719
577 T A -0.2953
578 R A -1.0098
579 C A 0.0000
580 E A -1.5399
581 S A -0.6268
582 Q A -1.0936
583 V A 0.1206
584 D A -1.1309
585 E A -0.9037
586 C A 0.0000
587 R A -1.8836
588 S A -0.7724
589 Q A -1.2434
590 P A -0.2541
591 C A 0.0000
592 R A -1.9022
593 H A -0.7385
594 G A -0.5319
595 G A -0.4197
596 K A -1.7103
597 C A 0.0000
598 L A 0.0888
599 D A -1.5303
600 L A 0.6236
601 V A 1.5918
602 D A -1.7882
603 K A -1.8882
604 Y A 0.0109
605 L A 1.3256
606 C A -0.0311
607 R A -1.7854
608 C A -0.1260
609 P A -0.0861
610 S A -0.2474
611 G A -0.2925
612 T A 0.0000
613 T A -0.0904
614 G A 0.0744
615 V A 1.6793
616 N A 0.0457
617 C A 0.0000
618 E A -0.4190
619 V A 0.9425
620 N A -0.1471
621 I A 0.7723
622 D A -1.7198
623 D A -1.1916
624 C A 0.0000
625 A A 0.0204
626 S A -0.4284
627 N A -1.3202
628 P A -0.2706
629 C A 0.1391
630 T A 0.1948
631 F A 1.3864
632 G A 0.4641
633 V A 1.7837
634 C A 0.1350
635 R A -2.0186
636 D A -0.7049
637 G A -0.1146
638 I A 0.7948
639 N A -1.3911
640 R A -1.8316
641 Y A -0.2417
642 D A -1.3456
643 C A -0.0135
644 V A 0.6626
645 C A 0.0807
646 Q A -0.9317
647 P A -0.5733
648 G A 0.0000
649 F A 0.0525
650 T A 0.1531
651 G A -0.1971
652 P A -0.1484
653 L A 0.6934
654 C A 0.0000
655 N A -0.9885
656 V A 1.0132
657 E A -1.3014
658 I A 0.5154
659 N A -1.1269
660 E A -0.5181
661 C A 0.0758
662 A A 0.0422
663 S A -0.2414
664 S A -0.2610
665 P A -0.0736
666 C A 0.0402
667 G A -0.4810
668 E A -1.9357
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1914 A A 0.0000
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1918 V A 0.0000
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1932 V A -0.1945
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1936 D A 0.0000
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1938 L A 0.5130
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1940 K A -0.1886
1941 S A 0.0000
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1944 H A 0.0000
1945 W A 0.1947
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1950 N A -0.3168
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1952 V A 0.1559
1953 E A -1.7313
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6155
1957 A A 0.0000
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1960 K A -1.8942
1961 N A -1.6094
1962 G A -0.6884
1963 A A 0.0000
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1965 K A -0.6860
1966 D A -0.4029
1967 M A -0.1024
1968 Q A -1.0849
1969 D A 0.0000
1970 S A -0.3556
1971 K A -1.1229
1972 E A -1.8400
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 -0.8545
1982 E A -1.5072
1983 G A -0.4140
1984 S A 0.0000
1985 Y A 0.0076
1986 E A -1.6266
1987 A A 0.0000
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1989 K A -1.2996
1990 L A -0.0365
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8323
1994 H A -0.3990
1995 F A 0.8647
1996 A A 0.0000
1997 N A -0.2876
1998 R A -0.5997
1999 E A -1.8026
2000 I A -0.0141
2001 T A -0.1691
2002 D A 0.0000
2003 H A -0.6837
2004 L A 1.0547
2005 D A -1.6227
2006 R A -0.8650
2007 L A 0.2480
2008 P A 0.0000
2009 R A -1.0975
2010 D A -1.3052
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0098
2014 E A -1.8890
2015 R A -1.4007
2016 L A 1.1594
2017 H A -0.1516
2018 Q A -1.3807
2019 D A -1.0084
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2021 V A 0.0000
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2100 S A 0.0288
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2266 W A 0.8162
2267 S A -0.3453
2268 E A -1.9076
2269 S A -0.6191
2270 T A -0.1606
2271 P A -0.3108
2272 S A -0.3145
2273 P A -0.2867
2274 A A -0.0040
2275 T A -0.0479
2276 A A 0.0272
2277 T A -0.1513
2278 G A -0.4696
2279 A A 0.2232
2280 M A 1.0791
2281 A A 0.2541
2282 T A -0.0770
2283 T A -0.1009
2284 T A -0.2028
2285 G A -0.4736
2286 A A 0.3302
2287 L A 1.5092
2288 P A 0.0721
2289 A A -0.2955
2290 Q A -1.2304
2291 P A -0.1184
2292 L A 1.4430
2293 P A 0.3829
2294 L A 1.4488
2295 S A 0.4555
2296 V A 1.6801
2297 P A 0.0240
2298 S A -0.3102
2299 S A 0.1141
2300 L A 1.5082
2301 A A 0.0567
2302 Q A -1.1733
2303 A A -0.4490
2304 Q A -1.1980
2305 T A -0.5305
2306 Q A -0.8360
2307 L A 1.1700
2308 G A -0.2447
2309 P A -0.6064
2310 Q A -1.3014
2311 P A -0.8483
2312 E A -1.5143
2313 V A 1.3945
2314 T A 0.2910
2315 P A -0.5010
2316 K A -2.0782
2317 R A -2.3909
2318 Q A -1.1987
2319 V A 1.8303
2320 L A 1.8965
2321 A A 0.4262
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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 -0.0068 4.6628 View CSV PDB
4.5 -0.039 4.6628 View CSV PDB
5.0 -0.0779 4.6628 View CSV PDB
5.5 -0.118 4.6628 View CSV PDB
6.0 -0.1542 4.6628 View CSV PDB
6.5 -0.1836 4.6628 View CSV PDB
7.0 -0.2059 4.6628 View CSV PDB
7.5 -0.2233 4.6628 View CSV PDB
8.0 -0.2374 4.6628 View CSV PDB
8.5 -0.2478 4.6628 View CSV PDB
9.0 -0.2533 4.6628 View CSV PDB