Project name: R1220Q_5

Status: done

Started: 2026-06-12 13:58:47
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTQDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:30)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:45:21)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/edd3ff7f48a9104/tmp/folded.pdb                (00:45:21)
[INFO]       Main:     Simulation completed successfully.                                          (01:22:27)
Show buried residues

Minimal score value
-2.6482
Maximal score value
2.368
Average score
-0.2839
Total score value
-658.8894

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 0.9624
2 G A -0.3078
3 P A -0.4586
4 G A -0.5190
5 A A -0.3999
6 R A -1.9166
7 G A -1.1255
8 R A -2.3130
9 R A -2.6482
10 R A -2.6013
11 R A -2.5147
12 R A -2.5085
13 R A -2.2245
14 P A -0.4045
15 M A 0.9678
16 S A -0.0658
17 P A -0.3398
18 P A -0.3478
19 P A -0.3476
20 P A -0.3477
21 P A -0.3481
22 P A -0.3479
23 P A 0.0258
24 V A 1.3870
25 R A -1.5076
26 A A 0.0016
27 L A 1.5208
28 P A 0.3645
29 L A 1.7957
30 L A 2.1232
31 L A 2.1244
32 L A 2.1244
33 L A 1.8480
34 A A 0.2620
35 G A -0.5020
36 P A -0.4261
37 G A -0.5026
38 A A -0.0171
39 A A 0.0800
40 A A 0.0601
41 P A -0.0478
42 P A -0.0547
43 C A 0.0000
44 L A 1.2885
45 D A -1.2337
46 G A -0.7361
47 S A -0.1987
48 P A -0.2532
49 C A -0.0269
50 A A -0.0882
51 N A -0.6931
52 G A -0.2733
53 G A -0.3861
54 R A -1.7775
55 C A 0.0663
56 T A 0.0000
57 Q A -0.6601
58 L A -0.3284
59 P A -0.7428
60 S A -1.0558
61 R A -2.4047
62 E A -2.1552
63 A A 0.0000
64 A A 0.0112
65 C A 0.0000
66 L A 0.3426
67 C A 0.2091
68 P A 0.0000
69 P A -0.2549
70 G A 0.0000
71 W A 0.0126
72 V A 0.2540
73 G A -0.3655
74 E A -1.9164
75 R A -0.7808
76 C A 0.0000
77 Q A -0.6284
78 L A -0.2171
79 E A -1.7915
80 D A -0.5754
81 P A -0.0705
82 C A -0.0669
83 H A -0.9212
84 S A -0.4605
85 G A -0.5163
86 P A -0.1356
87 C A -0.0140
88 A A -0.0173
89 G A -0.6510
90 R A -1.9141
91 G A -0.0469
92 V A 1.7814
93 C A 0.2837
94 Q A -0.9013
95 S A -0.1572
96 S A -0.0848
97 V A 0.9423
98 V A 1.9033
99 A A 0.2984
100 G A -0.4649
101 T A -0.1345
102 A A 0.0000
103 R A -1.6991
104 F A 0.3823
105 S A -0.0528
106 C A -0.2823
107 R A -1.7879
108 C A -0.1455
109 P A -0.3391
110 R A -1.8513
111 G A 0.0000
112 F A 0.9153
113 R A -0.2847
114 G A -0.2684
115 P A -0.4102
116 D A -0.7627
117 C A 0.0000
118 S A -0.0550
119 L A 0.7006
120 P A -0.0115
121 D A -0.1678
122 P A -0.0940
123 C A 0.0000
124 L A 1.3270
125 S A -0.0020
126 S A -0.2595
127 P A -0.0720
128 C A 0.0683
129 A A -0.1216
130 H A -0.8988
131 G A -0.6128
132 A A -0.3911
133 R A -1.8264
134 C A -0.2728
135 S A -0.0261
136 V A 0.5375
137 G A 0.0023
138 P A -0.5892
139 D A -1.8526
140 G A -0.7470
141 R A -1.8011
142 F A 0.2177
143 L A 0.9778
144 C A 0.2350
145 S A -0.1500
146 C A 0.1917
147 P A -0.0691
148 P A -0.2856
149 G A -0.1045
150 Y A -0.1804
151 Q A -1.2572
152 G A -1.0217
153 R A -1.9020
154 S A -0.3715
155 C A 0.0000
156 R A -1.8834
157 S A -0.6929
158 D A -0.7175
159 V A 0.0723
160 D A -0.5095
161 E A -1.0221
162 C A -0.3823
163 R A -1.4997
164 V A 1.3862
165 G A -0.2893
166 E A -1.8780
167 P A -0.3648
168 C A 0.0000
169 R A -1.8506
170 H A -1.2868
171 G A -0.6380
172 G A -0.1323
173 T A -0.0526
174 C A 0.2907
175 L A 0.8244
176 N A -0.3358
177 T A -0.1137
178 P A -0.2702
179 G A -0.1735
180 S A -0.1284
181 F A -0.0845
182 R A -1.7586
183 C A -0.4584
184 Q A -1.1482
185 C A -0.0718
186 P A -0.0601
187 A A 0.0213
188 G A -0.0163
189 Y A 0.3323
190 T A 0.0249
191 G A -0.2000
192 P A -0.2026
193 L A 0.4027
194 C A 0.0000
195 E A -1.6029
196 N A -1.5186
197 P A -0.4154
198 A A 0.2878
199 V A 1.5216
200 P A 0.2772
201 C A 0.1406
202 A A 0.0103
203 P A -0.2684
204 S A -0.1919
205 P A -0.0688
206 C A -0.3075
207 R A -1.9838
208 N A -1.2562
209 G A -0.6247
210 G A -0.1145
211 T A -0.0608
212 C A -0.2491
213 R A -2.0510
214 Q A -1.5144
215 S A -0.4067
216 G A -0.5444
217 D A -1.6115
218 L A 0.8285
219 T A 0.2176
220 Y A -0.0622
221 D A -1.7006
222 C A 0.0000
223 A A 0.0764
224 C A 0.3868
225 L A 0.8379
226 P A -0.1124
227 G A -0.2869
228 F A -0.1618
229 E A -1.8177
230 G A -0.7798
231 Q A -1.2894
232 N A -0.4842
233 C A 0.0000
234 E A -1.0746
235 V A 0.8323
236 N A -0.0177
237 V A 0.4575
238 D A -1.7912
239 D A -1.1950
240 C A -0.1119
241 P A -0.3237
242 G A -0.6001
243 H A -0.8975
244 R A -1.9307
245 C A 0.0000
246 L A 1.2425
247 N A -0.6285
248 G A -0.6189
249 G A -0.1156
250 T A -0.0614
251 C A 0.2517
252 V A 0.7487
253 D A -0.5462
254 G A 0.1038
255 V A 1.5223
256 N A -0.9725
257 T A -0.2488
258 Y A -0.1555
259 N A -1.2230
260 C A -0.3694
261 Q A -1.1466
262 C A -0.0404
263 P A -0.0663
264 P A -0.3721
265 E A -0.6300
266 W A 0.0129
267 T A -0.0293
268 G A -0.4485
269 Q A -1.1887
270 F A 0.0659
271 C A 0.0000
272 T A -0.3499
273 E A -1.7525
274 D A -0.5415
275 V A 0.0000
276 D A -0.2207
277 E A -0.1682
278 C A 0.0000
279 Q A -0.0709
280 L A 0.3761
281 Q A -1.1179
282 P A -0.6651
283 N A -1.3113
284 A A -0.2214
285 C A 0.0000
286 H A -0.9330
287 N A -0.8760
288 G A -0.2466
289 G A -0.0530
290 T A 0.0019
291 C A 0.3168
292 F A 0.9878
293 N A -0.4271
294 T A 0.0809
295 L A 1.5070
296 G A 0.0394
297 G A -0.1860
298 H A -0.6158
299 S A -0.2846
300 C A 0.2749
301 V A 1.2198
302 C A 0.4065
303 V A 0.1502
304 N A -0.3503
305 G A 0.0000
306 W A 0.1296
307 T A -0.0347
308 G A -0.5545
309 E A -1.8763
310 S A -0.4201
311 C A 0.0000
312 S A -0.4313
313 Q A -1.3027
314 N A -0.3840
315 I A 0.5441
316 D A -1.6496
317 D A -0.7789
318 C A 0.0397
319 A A 0.0668
320 T A -0.0587
321 A A 0.3347
322 V A 1.7953
323 C A 0.6470
324 F A 0.8469
325 H A -0.8915
326 G A -0.6452
327 A A -0.0586
328 T A -0.0369
329 C A 0.0514
330 H A -0.5894
331 D A -1.1035
332 R A -1.3445
333 V A 1.3293
334 A A 0.2899
335 S A -0.1593
336 F A 0.2616
337 Y A 0.8223
338 C A 0.0000
339 A A 0.0752
340 C A 0.2712
341 P A 0.1510
342 M A 1.0218
343 G A -0.0165
344 K A -0.7722
345 T A -0.1208
346 G A -0.0084
347 L A 0.5569
348 L A 0.3198
349 C A 0.0000
350 H A -0.4631
351 L A -0.2293
352 D A -1.8855
353 D A -0.7712
354 A A -0.0412
355 C A 0.4076
356 V A 1.6882
357 S A -0.1285
358 N A -1.3322
359 P A -0.3332
360 C A 0.0234
361 H A -0.5091
362 E A -2.1704
363 D A -2.0711
364 A A 0.0814
365 I A 2.0433
366 C A 0.2052
367 D A -1.7604
368 T A 0.0000
369 N A 0.0000
370 P A 0.1583
371 V A 1.5246
372 N A -0.8909
373 G A -0.6201
374 R A -1.8540
375 A A -0.2659
376 I A 0.3365
377 C A 0.0000
378 T A 0.0017
379 C A 0.1514
380 P A -0.0428
381 P A -0.2694
382 G A -0.0359
383 F A 0.1363
384 T A -0.0157
385 G A -0.2842
386 G A -0.4981
387 A A -0.0511
388 C A 0.0000
389 D A -2.0066
390 Q A -1.5861
391 D A -0.4686
392 V A 0.1027
393 D A -1.2129
394 E A -0.5018
395 C A 0.0864
396 S A 0.0352
397 I A 1.0645
398 G A -0.2362
399 A A -0.2530
400 N A -1.2295
401 P A -0.2565
402 C A 0.0000
403 E A -1.5522
404 H A -0.3603
405 L A 1.4812
406 G A 0.0000
407 R A -1.9671
408 C A 0.0000
409 V A 0.4729
410 N A -0.2097
411 T A -0.2552
412 Q A -1.2146
413 G A -0.3179
414 S A -0.0524
415 F A 0.8032
416 L A 1.5597
417 C A 0.1133
418 Q A -1.3315
419 C A -0.0374
420 G A -0.5447
421 R A -1.8987
422 G A -0.1402
423 Y A -0.0401
424 T A -0.0038
425 G A -0.1597
426 P A -0.5448
427 R A -1.5660
428 C A 0.0000
429 E A -1.3394
430 T A -0.6177
431 D A -1.6715
432 V A 0.1180
433 N A -0.6444
434 E A -0.8220
435 C A 0.2430
436 L A 1.5266
437 S A -0.0142
438 G A -0.5112
439 P A -0.1046
440 C A -0.1691
441 R A -1.9497
442 N A -1.2149
443 Q A -1.3158
444 A A -0.1991
445 T A -0.0445
446 C A 0.2791
447 L A 0.5253
448 D A -1.7152
449 R A -1.6200
450 I A 1.5758
451 G A 0.0000
452 Q A -0.9439
453 F A -0.0839
454 T A 0.0524
455 C A 0.4534
456 I A 1.9467
457 C A 0.6462
458 M A 0.5143
459 A A 0.1352
460 G A -0.2331
461 F A -0.0415
462 T A -0.0510
463 G A -0.2625
464 T A 0.0127
465 Y A 0.6979
466 C A 0.0000
467 E A -0.5167
468 V A 0.7160
469 D A -1.3933
470 I A 0.1842
471 D A -1.8140
472 E A -1.3435
473 C A -0.3014
474 Q A -1.2192
475 S A -0.4681
476 S A -0.2589
477 P A -0.0688
478 C A 0.2716
479 V A 0.9667
480 N A -0.8525
481 G A -0.6519
482 G A 0.1989
483 V A 1.7873
484 C A 0.1914
485 K A -1.8789
486 D A -2.3331
487 R A -1.7790
488 V A 1.2037
489 N A -0.9786
490 G A -0.2260
491 F A 0.1623
492 S A -0.0166
493 C A 0.0784
494 T A 0.0012
495 C A 0.1402
496 P A -0.1180
497 S A -0.2475
498 G A -0.3232
499 F A 0.1379
500 S A 0.0487
501 G A -0.3894
502 S A -0.2758
503 T A -0.0423
504 C A 0.0000
505 Q A -0.9645
506 L A 0.7391
507 D A -1.3878
508 V A -0.0343
509 D A -1.8353
510 E A -1.1912
511 C A -0.0490
512 A A 0.0380
513 S A -0.2149
514 T A -0.1156
515 P A -0.0514
516 C A 0.0000
517 R A -2.0305
518 N A -1.4386
519 G A -0.6468
520 A A -0.3517
521 K A -1.6829
522 C A -0.1516
523 V A 0.0346
524 D A -1.7791
525 Q A -1.0379
526 P A -0.6951
527 D A -1.8671
528 G A -0.4078
529 Y A -0.0702
530 E A -1.7114
531 C A -0.5584
532 R A -1.7760
533 C A -0.0547
534 A A -0.2476
535 E A -1.8153
536 G A 0.0000
537 F A -0.0926
538 E A -1.4849
539 G A -0.5213
540 T A -0.0457
541 L A 0.3724
542 C A 0.0000
543 D A -1.2841
544 R A -2.1100
545 N A -0.6441
546 V A 0.5750
547 D A -1.7626
548 D A -1.1460
549 C A -0.2733
550 S A -0.2634
551 P A -0.6272
552 D A -1.8310
553 P A -0.3466
554 C A -0.2262
555 H A -1.0656
556 H A -0.6932
557 G A -0.5125
558 R A -1.8636
559 C A 0.0000
560 V A 1.3657
561 D A -1.1319
562 G A -0.0692
563 I A 1.9933
564 A A 0.3769
565 S A -0.0715
566 F A 0.2954
567 S A -0.0969
568 C A 0.0617
569 A A -0.0825
570 C A 0.2445
571 A A 0.0127
572 P A -0.2587
573 G A -0.3154
574 Y A 0.0360
575 T A -0.0462
576 G A -0.2623
577 T A -0.2907
578 R A -0.9963
579 C A 0.0000
580 E A -1.8421
581 S A -0.6629
582 Q A -1.1005
583 V A 0.1042
584 D A -0.9824
585 E A -0.4701
586 C A -0.3112
587 R A -1.8694
588 S A -0.7594
589 Q A -1.2434
590 P A -0.2421
591 C A -0.2947
592 R A -1.9681
593 H A -1.1770
594 G A -0.6113
595 G A -0.4182
596 K A -1.7113
597 C A 0.0000
598 L A 0.2988
599 D A -1.5573
600 L A 0.4419
601 V A 1.5436
602 D A -1.7132
603 K A -1.9474
604 Y A 0.0192
605 L A 1.1250
606 C A -0.0629
607 R A -1.7835
608 C A -0.1060
609 P A -0.1178
610 S A -0.2457
611 G A -0.2411
612 T A 0.0000
613 T A -0.0872
614 G A 0.0801
615 V A 1.6881
616 N A 0.0879
617 C A 0.0000
618 E A -0.3467
619 V A 0.8632
620 N A -0.3454
621 I A 0.9770
622 D A -1.7052
623 D A -1.3132
624 C A -0.0971
625 A A 0.0333
626 S A -0.4278
627 N A -1.3210
628 P A -0.2734
629 C A 0.1471
630 T A 0.1405
631 F A 1.0571
632 G A 0.3503
633 V A 1.8397
634 C A 0.1372
635 R A -1.9324
636 D A -0.9024
637 G A -0.1475
638 I A 1.0948
639 N A -1.3355
640 R A -1.8495
641 Y A -0.2750
642 D A -1.6680
643 C A -0.0980
644 V A 0.7979
645 C A 0.0595
646 Q A -1.1777
647 P A -0.4660
648 G A 0.0000
649 F A -0.0408
650 T A -0.0317
651 G A -0.2149
652 P A -0.1393
653 L A 0.7831
654 C A 0.0000
655 N A -0.9719
656 V A 1.1256
657 E A -1.2990
658 I A 0.4673
659 N A -1.2003
660 E A -0.8604
661 C A 0.0252
662 A A 0.0432
663 S A -0.2402
664 S A -0.2633
665 P A -0.0930
666 C A 0.0435
667 G A -0.4264
668 E A -1.9239
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1930 A A 0.0000
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1932 V A 0.0000
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1936 D A 0.0000
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1939 G A 0.1018
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1941 S A 0.0000
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1950 N A -0.1492
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1952 V A 0.1275
1953 E A -1.7359
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4754
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1958 L A 0.0000
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1962 G A 0.0000
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1965 K A -0.4210
1966 D A -0.2580
1967 M A -0.0128
1968 Q A -0.7051
1969 D A 0.0000
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1971 K A -0.9913
1972 E A -1.5498
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 -0.7105
1982 E A -1.5923
1983 G A -0.4170
1984 S A 0.0000
1985 Y A 0.0324
1986 E A -1.3295
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1440
1990 L A -0.1978
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8123
1994 H A -0.4826
1995 F A 0.4100
1996 A A 0.0000
1997 N A -0.3797
1998 R A -0.7140
1999 E A -1.8216
2000 I A -0.0126
2001 T A -0.1434
2002 D A 0.0000
2003 H A -0.7083
2004 L A 1.0510
2005 D A -1.5902
2006 R A -0.6775
2007 L A 0.3021
2008 P A 0.0000
2009 R A -0.9380
2010 D A -1.2815
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3612
2014 E A -2.2503
2015 R A -1.2408
2016 L A 1.1731
2017 H A -0.1297
2018 Q A -1.3702
2019 D A -0.9754
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2021 V A 0.0000
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2023 L A -0.1624
2024 L A 0.0000
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2100 S A 0.0977
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2269 S A -0.6210
2270 T A -0.1673
2271 P A -0.3114
2272 S A -0.3135
2273 P A -0.2838
2274 A A -0.0151
2275 T A -0.0477
2276 A A 0.0309
2277 T A -0.1522
2278 G A -0.4651
2279 A A 0.1410
2280 M A 1.0784
2281 A A 0.2922
2282 T A -0.0771
2283 T A -0.1012
2284 T A -0.1985
2285 G A -0.4721
2286 A A 0.2768
2287 L A 1.5121
2288 P A 0.0438
2289 A A -0.2715
2290 Q A -1.2345
2291 P A -0.1897
2292 L A 1.4513
2293 P A 0.3185
2294 L A 1.4489
2295 S A 0.5058
2296 V A 1.6838
2297 P A 0.0347
2298 S A -0.3095
2299 S A 0.0225
2300 L A 1.5230
2301 A A 0.2042
2302 Q A -1.1746
2303 A A -0.4158
2304 Q A -1.2023
2305 T A -0.5429
2306 Q A -0.9151
2307 L A 1.2061
2308 G A -0.1433
2309 P A -0.5746
2310 Q A -1.3042
2311 P A -0.8710
2312 E A -1.5031
2313 V A 1.3846
2314 T A 0.2055
2315 P A -0.6628
2316 K A -2.1192
2317 R A -2.4180
2318 Q A -1.1619
2319 V A 1.7858
2320 L A 1.8927
2321 A A 0.4169
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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 -0.0138 4.6879 View CSV PDB
4.5 -0.0465 4.6879 View CSV PDB
5.0 -0.0864 4.6879 View CSV PDB
5.5 -0.1276 4.6879 View CSV PDB
6.0 -0.1649 4.6879 View CSV PDB
6.5 -0.1953 4.6879 View CSV PDB
7.0 -0.2183 4.6879 View CSV PDB
7.5 -0.2363 4.6879 View CSV PDB
8.0 -0.2509 4.6879 View CSV PDB
8.5 -0.2618 4.6879 View CSV PDB
9.0 -0.2676 4.6879 View CSV PDB