Project name: C419Y_5

Status: done

Started: 2026-05-19 00:19:25
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQYGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:10)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:10)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:10)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:10)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:52)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:52)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:25)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/349b819a4bae2a1/tmp/folded.pdb                (00:35:25)
[INFO]       Main:     Simulation completed successfully.                                          (01:15:46)
Show buried residues

Minimal score value
-2.6024
Maximal score value
2.653
Average score
-0.277
Total score value
-643.0284

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 0.9650
2 G A -0.3145
3 P A -0.4305
4 G A -0.4998
5 A A -0.3995
6 R A -1.9183
7 G A -1.1376
8 R A -2.2663
9 R A -2.5721
10 R A -2.6024
11 R A -2.5497
12 R A -2.5195
13 R A -2.2280
14 P A -0.3942
15 M A 0.9664
16 S A -0.0629
17 P A -0.3398
18 P A -0.3475
19 P A -0.3475
20 P A -0.3478
21 P A -0.3477
22 P A -0.3475
23 P A 0.0283
24 V A 1.3860
25 R A -1.5069
26 A A 0.0036
27 L A 1.5117
28 P A 0.3247
29 L A 1.7927
30 L A 2.1337
31 L A 2.1374
32 L A 2.1396
33 L A 1.8535
34 A A 0.2649
35 G A -0.5019
36 P A -0.4273
37 G A -0.5030
38 A A -0.0176
39 A A 0.0802
40 A A 0.0504
41 P A -0.1236
42 P A -0.1639
43 C A 0.3715
44 L A 1.2432
45 D A -1.5918
46 G A -0.8282
47 S A -0.2830
48 P A -0.0953
49 C A 0.0000
50 A A -0.1412
51 N A -0.9877
52 G A -0.6308
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1323
57 Q A -0.4652
58 L A 0.6190
59 P A -0.1515
60 S A -0.5766
61 R A -2.2146
62 E A -2.1551
63 A A -0.3902
64 A A 0.0293
65 C A 0.3742
66 L A 1.6079
67 C A 0.5151
68 P A -0.0673
69 P A -0.2783
70 G A -0.0878
71 W A 0.0538
72 V A 0.2858
73 G A -0.3640
74 E A -2.1649
75 R A -2.1707
76 C A 0.0000
77 Q A -0.5211
78 L A -0.1913
79 E A -1.7866
80 D A -0.5864
81 P A -0.0682
82 C A -0.0769
83 H A -1.0090
84 S A -0.4768
85 G A -0.5156
86 P A -0.1317
87 C A -0.0119
88 A A 0.0033
89 G A -0.5313
90 R A -1.8920
91 G A -0.0451
92 V A 1.7840
93 C A 0.3163
94 Q A -0.7728
95 S A -0.1557
96 S A -0.0832
97 V A 0.9639
98 V A 1.8724
99 A A 0.2924
100 G A -0.4651
101 T A -0.1359
102 A A 0.0000
103 R A -1.6403
104 F A 0.3032
105 S A -0.0691
106 C A -0.2804
107 R A -1.7838
108 C A -0.1279
109 P A -0.3491
110 R A -1.8681
111 G A -0.2870
112 F A 0.7420
113 R A -0.2070
114 G A -0.2924
115 P A -0.4196
116 D A -0.7671
117 C A 0.0000
118 S A -0.0786
119 L A 0.6591
120 P A 0.0004
121 D A -0.2984
122 P A -0.0615
123 C A 0.2472
124 L A 0.7960
125 S A -0.1025
126 S A -0.2591
127 P A -0.0695
128 C A 0.0760
129 A A -0.1243
130 H A -0.9197
131 G A -0.6161
132 A A -0.3926
133 R A -1.8031
134 C A -0.1606
135 S A -0.0398
136 V A 0.7141
137 G A 0.0000
138 P A -0.5787
139 D A -1.8454
140 G A -0.6460
141 R A -1.4618
142 F A 0.2675
143 L A 1.2131
144 C A 0.2953
145 S A -0.1502
146 C A 0.1895
147 P A -0.0739
148 P A -0.2775
149 G A -0.0805
150 Y A -0.1413
151 Q A -1.2535
152 G A -1.0282
153 R A -1.9302
154 S A 0.0000
155 C A 0.0000
156 R A -1.8731
157 S A -0.6187
158 D A -0.5873
159 V A 0.1634
160 D A -0.4068
161 E A -0.8096
162 C A -0.3516
163 R A -1.4990
164 V A 1.3797
165 G A -0.3103
166 E A -1.8827
167 P A -0.3705
168 C A 0.0000
169 R A -1.8011
170 H A -1.2465
171 G A -0.6320
172 G A -0.1241
173 T A -0.0591
174 C A 0.2341
175 L A 0.5354
176 N A -0.4483
177 T A -0.1214
178 P A -0.2686
179 G A -0.1503
180 S A -0.0878
181 F A -0.0622
182 R A -1.7536
183 C A -0.4586
184 Q A -1.1401
185 C A -0.0278
186 P A -0.0567
187 A A 0.0207
188 G A -0.0129
189 Y A 0.3439
190 T A 0.0239
191 G A -0.2287
192 P A -0.2134
193 L A 0.3712
194 C A 0.0000
195 E A -1.3830
196 N A -1.3352
197 P A -0.3877
198 A A 0.2312
199 V A 1.1972
200 P A 0.2187
201 C A 0.1337
202 A A -0.0157
203 P A -0.2652
204 S A -0.1522
205 P A -0.0691
206 C A 0.0000
207 R A -2.0009
208 N A -1.2779
209 G A -0.6283
210 G A -0.1119
211 T A -0.0608
212 C A -0.2521
213 R A -2.0506
214 Q A -1.5148
215 S A -0.4053
216 G A -0.5368
217 D A -1.5778
218 L A 1.0118
219 T A 0.2526
220 Y A -0.0676
221 D A -1.7022
222 C A 0.0000
223 A A 0.0719
224 C A 0.3851
225 L A 0.8463
226 P A -0.1106
227 G A -0.2545
228 F A -0.1580
229 E A -1.8357
230 G A -0.8845
231 Q A -1.3014
232 N A -0.4513
233 C A 0.0000
234 E A -0.8718
235 V A 0.8329
236 N A -0.0980
237 V A 0.2962
238 D A -1.7471
239 D A -0.7923
240 C A -0.0417
241 P A -0.3240
242 G A -0.6035
243 H A -0.9182
244 R A -1.9346
245 C A 0.0000
246 L A 1.2318
247 N A -0.6454
248 G A -0.6209
249 G A -0.1206
250 T A -0.0621
251 C A 0.2851
252 V A 0.9477
253 D A -0.5604
254 G A 0.1160
255 V A 1.5242
256 N A -0.9725
257 T A -0.2556
258 Y A -0.1051
259 N A -1.2120
260 C A -0.3629
261 Q A -1.1536
262 C A -0.0817
263 P A -0.0716
264 P A -0.3913
265 E A -0.7215
266 W A -0.0206
267 T A -0.0708
268 G A -0.5616
269 Q A -1.2030
270 F A 0.0993
271 C A 0.0000
272 T A -0.4029
273 E A -1.8886
274 D A -0.5858
275 V A 0.0465
276 D A -0.4736
277 E A 0.0000
278 C A -0.0983
279 Q A -0.8956
280 L A 1.1117
281 Q A -0.9624
282 P A -0.7010
283 N A -1.3179
284 A A -0.2228
285 C A 0.0000
286 H A -0.8181
287 N A -0.9832
288 G A -0.6172
289 G A -0.1308
290 T A -0.0441
291 C A 0.4884
292 F A 1.8601
293 N A -0.2815
294 T A 0.0620
295 L A 1.5054
296 G A 0.1038
297 G A -0.1950
298 H A -0.6251
299 S A -0.2465
300 C A 0.3932
301 V A 1.8208
302 C A 0.7019
303 V A 0.9080
304 N A -1.0693
305 G A 0.0000
306 W A 0.1401
307 T A -0.0320
308 G A -0.5508
309 E A -1.8685
310 S A -0.3817
311 C A 0.0000
312 S A -0.4209
313 Q A -1.3015
314 N A -0.4016
315 I A 0.4384
316 D A -1.7269
317 D A -0.8235
318 C A 0.0335
319 A A 0.0668
320 T A -0.0587
321 A A 0.3366
322 V A 1.7963
323 C A 0.6882
324 F A 0.9352
325 H A -0.8748
326 G A -0.6441
327 A A -0.0608
328 T A -0.0416
329 C A -0.0276
330 H A -0.9477
331 D A -0.5984
332 R A -0.2450
333 V A 1.4860
334 A A 0.2995
335 S A -0.0050
336 F A 0.6642
337 Y A 0.9993
338 C A 0.0000
339 A A 0.0866
340 C A 0.2571
341 P A 0.1585
342 M A 1.0233
343 G A -0.0044
344 K A -0.7729
345 T A -0.1184
346 G A 0.1616
347 L A 1.3460
348 L A 0.6214
349 C A 0.0000
350 H A -0.3569
351 L A -0.1567
352 D A -1.8503
353 D A -0.6385
354 A A -0.0172
355 C A 0.3371
356 V A 1.4213
357 S A -0.1758
358 N A -1.3323
359 P A -0.3341
360 C A 0.0049
361 H A -0.5843
362 E A -2.1943
363 D A -2.1195
364 A A -0.0766
365 I A 1.2799
366 C A 0.3127
367 D A -0.3570
368 T A 0.0000
369 N A -0.1957
370 P A -0.0117
371 V A 0.2084
372 N A -1.2069
373 G A -0.6477
374 R A -1.8594
375 A A 0.0000
376 I A 0.6353
377 C A 0.2126
378 T A 0.0208
379 C A 0.0882
380 P A 0.0000
381 P A -0.2549
382 G A 0.0000
383 F A 0.0000
384 T A -0.0971
385 G A -0.4731
386 G A -0.5322
387 A A -0.0503
388 C A 0.0000
389 D A -2.0093
390 Q A -1.5858
391 D A -0.5045
392 V A -0.0195
393 D A -0.8029
394 E A -0.1992
395 C A 0.0000
396 S A 0.1894
397 I A 1.5886
398 G A 0.2435
399 A A -0.0691
400 N A -0.2214
401 P A -0.0736
402 C A 0.0000
403 E A -1.7625
404 H A -0.5018
405 L A 1.2448
406 G A 0.0000
407 R A -1.9450
408 C A 0.0000
409 V A 0.4905
410 N A -0.2956
411 T A -0.2981
412 Q A -1.2230
413 G A -0.3325
414 S A -0.0382
415 F A 0.6632
416 L A 1.5658
417 C A 0.0000
418 Q A -0.9141
419 Y A 1.0692
420 G A -0.3874
421 R A -1.9009
422 G A 0.0000
423 Y A 0.0012
424 T A -0.0446
425 G A -0.2195
426 P A -0.5765
427 R A -1.6730
428 C A 0.0000
429 E A -1.1641
430 T A -0.4649
431 D A -1.0304
432 V A 0.1233
433 N A -0.6465
434 E A -0.7716
435 C A 0.2795
436 L A 1.5317
437 S A -0.0158
438 G A -0.5118
439 P A -0.1053
440 C A -0.1502
441 R A -1.9442
442 N A -1.1828
443 Q A -1.3098
444 A A -0.2138
445 T A -0.0425
446 C A 0.1404
447 L A 0.0000
448 D A -0.6411
449 R A -0.2979
450 I A 1.6965
451 G A 0.0000
452 Q A -0.3859
453 F A 0.0442
454 T A 0.0289
455 C A 0.1299
456 I A 0.2612
457 C A 0.2432
458 M A 0.5659
459 A A 0.1373
460 G A 0.0000
461 F A 0.0000
462 T A -0.0832
463 G A -0.2559
464 T A 0.0408
465 Y A 0.8471
466 C A 0.0000
467 E A -0.3950
468 V A 0.7295
469 D A -1.4292
470 I A 0.1468
471 D A -1.4310
472 E A -1.1532
473 C A -0.2867
474 Q A -1.2204
475 S A -0.4706
476 S A -0.2586
477 P A -0.0796
478 C A 0.0000
479 V A 0.1582
480 N A -0.8677
481 G A -0.6290
482 G A 0.2061
483 V A 1.7879
484 C A 0.2207
485 K A -1.7165
486 D A -2.3044
487 R A -1.8553
488 V A 1.1389
489 N A -0.9800
490 G A -0.2210
491 F A 0.3887
492 S A 0.0992
493 C A 0.1036
494 T A 0.0033
495 C A 0.1515
496 P A -0.1085
497 S A -0.2433
498 G A -0.3747
499 F A -0.0101
500 S A -0.1102
501 G A -0.4159
502 S A -0.2805
503 T A -0.0508
504 C A 0.0000
505 Q A -0.9629
506 L A 0.7198
507 D A -1.4095
508 V A -0.0558
509 D A -1.8223
510 E A -1.2899
511 C A -0.0740
512 A A 0.0365
513 S A -0.2148
514 T A -0.1154
515 P A -0.0499
516 C A 0.0000
517 R A -1.7802
518 N A -1.3964
519 G A -0.6471
520 A A -0.3583
521 K A -1.6840
522 C A -0.1375
523 V A 0.1888
524 D A -1.5904
525 Q A -1.1735
526 P A -0.7321
527 D A -1.8663
528 G A -0.3371
529 Y A 0.0696
530 E A -1.1900
531 C A -0.4900
532 R A -1.7832
533 C A -0.0958
534 A A -0.2614
535 E A -1.8259
536 G A -0.1343
537 F A -0.0879
538 E A -1.3353
539 G A -0.7174
540 T A -0.0854
541 L A 0.3783
542 C A 0.0000
543 D A -2.0459
544 R A -1.8885
545 N A -0.8174
546 V A 0.5287
547 D A -1.1328
548 D A -0.8834
549 C A -0.2360
550 S A -0.2606
551 P A -0.6337
552 D A -1.8273
553 P A -0.3620
554 C A 0.0000
555 H A -1.0696
556 H A -0.6443
557 G A -0.5157
558 R A -1.8524
559 C A 0.0296
560 V A 1.0795
561 D A -1.4953
562 G A -0.1834
563 I A 1.9765
564 A A 0.3582
565 S A -0.0643
566 F A 0.3771
567 S A -0.0728
568 C A 0.0808
569 A A 0.1159
570 C A 0.2923
571 A A 0.0321
572 P A -0.2611
573 G A -0.2832
574 Y A 0.0567
575 T A -0.0522
576 G A -0.2675
577 T A -0.3065
578 R A -1.0853
579 C A 0.0000
580 E A -1.4261
581 S A -0.5655
582 Q A -1.0211
583 V A 0.4346
584 D A -1.2563
585 E A -0.5911
586 C A 0.0000
587 R A -1.8836
588 S A -0.7687
589 Q A -1.2430
590 P A -0.2430
591 C A -0.3013
592 R A -1.9345
593 H A -0.9853
594 G A -0.5755
595 G A -0.4128
596 K A -1.7096
597 C A 0.0000
598 L A 0.0120
599 D A -1.5634
600 L A 0.5503
601 V A 1.3081
602 D A -1.8284
603 K A -1.9414
604 Y A 0.1769
605 L A 1.3363
606 C A -0.0294
607 R A -1.7830
608 C A -0.0975
609 P A -0.0842
610 S A -0.2406
611 G A -0.2929
612 T A 0.0000
613 T A -0.0909
614 G A 0.0935
615 V A 1.6888
616 N A 0.0965
617 C A 0.0000
618 E A -0.3873
619 V A 0.9971
620 N A -0.1442
621 I A 1.2603
622 D A -1.6407
623 D A -1.2063
624 C A -0.0670
625 A A 0.0362
626 S A -0.4307
627 N A -1.3201
628 P A -0.2617
629 C A 0.1211
630 T A 0.1724
631 F A 1.2287
632 G A 0.3736
633 V A 1.7791
634 C A 0.1374
635 R A -2.0551
636 D A -1.5641
637 G A -0.3870
638 I A 0.5017
639 N A -1.4841
640 R A -1.9981
641 Y A -0.2304
642 D A -1.0476
643 C A 0.0208
644 V A 0.6839
645 C A 0.0566
646 Q A -1.1336
647 P A -0.6363
648 G A -0.5331
649 F A -0.0450
650 T A -0.0180
651 G A -0.1926
652 P A -0.1691
653 L A 0.5810
654 C A 0.0000
655 N A -1.0772
656 V A 0.5154
657 E A -1.4068
658 I A 0.3907
659 N A -1.1424
660 E A -0.5009
661 C A 0.0618
662 A A 0.0375
663 S A -0.2411
664 S A -0.2608
665 P A -0.0717
666 C A 0.1396
667 G A -0.3291
668 E A -1.9167
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1932 V A -0.1712
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1936 D A 0.0000
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1939 G A 0.0992
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1950 N A -0.3902
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1952 V A 0.1589
1953 E A -1.7298
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6296
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1960 K A -1.8940
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1962 G A -0.6902
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1966 D A -0.5210
1967 M A -0.0659
1968 Q A -0.7537
1969 D A 0.0000
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1971 K A -0.8375
1972 E A -1.5372
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 -0.4912
1982 E A -0.6103
1983 G A -0.2570
1984 S A 0.0000
1985 Y A 0.0855
1986 E A -1.6992
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0621
1990 L A -0.1870
1991 L A 0.0000
1992 L A -0.0569
1993 D A -1.7819
1994 H A -0.3622
1995 F A 0.9893
1996 A A 0.0000
1997 N A -0.4646
1998 R A -0.7667
1999 E A -1.8287
2000 I A -0.0160
2001 T A -0.1531
2002 D A 0.0000
2003 H A -0.6792
2004 L A 1.0566
2005 D A -1.5965
2006 R A -0.7125
2007 L A 0.2930
2008 P A 0.0000
2009 R A -0.8327
2010 D A -1.1577
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3614
2014 E A -2.3029
2015 R A -1.5390
2016 L A 1.1343
2017 H A -0.0524
2018 Q A -1.3511
2019 D A -1.0467
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2022 R A -1.9899
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2269 S A -0.6371
2270 T A -0.1584
2271 P A -0.3078
2272 S A -0.3145
2273 P A -0.2892
2274 A A -0.0022
2275 T A -0.0455
2276 A A 0.0266
2277 T A -0.1482
2278 G A -0.4685
2279 A A 0.1661
2280 M A 1.0788
2281 A A 0.3046
2282 T A -0.0728
2283 T A -0.1019
2284 T A -0.1798
2285 G A -0.4670
2286 A A 0.2610
2287 L A 1.5044
2288 P A 0.0896
2289 A A -0.2736
2290 Q A -1.2331
2291 P A -0.1891
2292 L A 1.4454
2293 P A 0.3829
2294 L A 1.4513
2295 S A 0.4793
2296 V A 1.6795
2297 P A 0.0403
2298 S A -0.3112
2299 S A 0.1214
2300 L A 1.5073
2301 A A 0.0597
2302 Q A -1.1734
2303 A A -0.4457
2304 Q A -1.1981
2305 T A -0.5286
2306 Q A -0.8439
2307 L A 1.1780
2308 G A -0.2480
2309 P A -0.5967
2310 Q A -1.2994
2311 P A -0.8528
2312 E A -1.5145
2313 V A 1.3942
2314 T A 0.2504
2315 P A -0.6631
2316 K A -2.1022
2317 R A -2.3841
2318 Q A -1.1802
2319 V A 1.8159
2320 L A 1.8919
2321 A A 0.4271
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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 -0.0009 4.6649 View CSV PDB
4.5 -0.0327 4.6649 View CSV PDB
5.0 -0.0715 4.6649 View CSV PDB
5.5 -0.1115 4.6649 View CSV PDB
6.0 -0.1477 4.6649 View CSV PDB
6.5 -0.177 4.6649 View CSV PDB
7.0 -0.1994 4.6649 View CSV PDB
7.5 -0.217 4.6649 View CSV PDB
8.0 -0.2314 4.6649 View CSV PDB
8.5 -0.2424 4.6649 View CSV PDB
9.0 -0.2487 4.6649 View CSV PDB