Project name: C542R_5

Status: done

Started: 2026-05-19 00:26:19
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLRDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:35)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:09)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5516e00e9acfae0/tmp/folded.pdb                (00:33:09)
[INFO]       Main:     Simulation completed successfully.                                          (01:14:40)
Show buried residues

Minimal score value
-2.611
Maximal score value
2.356
Average score
-0.2829
Total score value
-656.6477

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 0.9652
2 G A -0.3157
3 P A -0.4299
4 G A -0.5026
5 A A -0.3840
6 R A -1.9240
7 G A -1.1586
8 R A -2.3564
9 R A -2.6110
10 R A -2.5213
11 R A -2.5179
12 R A -2.5157
13 R A -2.2271
14 P A -0.3959
15 M A 0.9672
16 S A -0.0653
17 P A -0.3400
18 P A -0.3474
19 P A -0.3473
20 P A -0.3475
21 P A -0.3473
22 P A -0.3472
23 P A 0.0252
24 V A 1.3882
25 R A -1.5086
26 A A 0.0026
27 L A 1.5120
28 P A 0.3160
29 L A 1.7878
30 L A 2.1228
31 L A 2.1241
32 L A 2.1228
33 L A 1.8448
34 A A 0.2643
35 G A -0.5018
36 P A -0.4270
37 G A -0.5033
38 A A -0.0165
39 A A 0.0781
40 A A 0.0248
41 P A -0.1945
42 P A -0.1199
43 C A 0.4092
44 L A 1.2494
45 D A -1.5931
46 G A -0.8306
47 S A -0.2886
48 P A -0.0926
49 C A 0.0000
50 A A -0.1378
51 N A -0.9686
52 G A -0.6267
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1340
57 Q A -0.4822
58 L A 0.6487
59 P A -0.1471
60 S A -0.5844
61 R A -2.2152
62 E A -2.1542
63 A A -0.3892
64 A A 0.0293
65 C A 0.3713
66 L A 1.6062
67 C A 0.5082
68 P A -0.0705
69 P A -0.2790
70 G A -0.0923
71 W A 0.0316
72 V A 0.2842
73 G A -0.3576
74 E A -2.1634
75 R A -2.1703
76 C A 0.0000
77 Q A -0.5777
78 L A -0.1897
79 E A -1.7854
80 D A -0.5877
81 P A -0.0695
82 C A -0.0781
83 H A -1.0092
84 S A -0.4770
85 G A -0.5145
86 P A -0.1249
87 C A -0.0345
88 A A 0.0212
89 G A -0.4193
90 R A -1.8722
91 G A -0.0843
92 V A 1.5668
93 C A 0.3224
94 Q A -0.4985
95 S A -0.1261
96 S A -0.0936
97 V A 0.9670
98 V A 1.8645
99 A A 0.2894
100 G A -0.4644
101 T A -0.1320
102 A A 0.0000
103 R A -1.6218
104 F A 0.1647
105 S A -0.0963
106 C A -0.2816
107 R A -1.7848
108 C A -0.1297
109 P A -0.3368
110 R A -1.8599
111 G A -0.2911
112 F A 0.5575
113 R A -0.3251
114 G A -0.2733
115 P A -0.4575
116 D A -1.0098
117 C A 0.0000
118 S A 0.0003
119 L A 1.0831
120 P A -0.0024
121 D A -0.3336
122 P A -0.0764
123 C A 0.1914
124 L A 0.5682
125 S A -0.1431
126 S A -0.2595
127 P A -0.0710
128 C A 0.0677
129 A A -0.1160
130 H A -0.8616
131 G A -0.6061
132 A A -0.3888
133 R A -1.8128
134 C A -0.2063
135 S A -0.0436
136 V A 0.6263
137 G A 0.0000
138 P A -0.5776
139 D A -1.8487
140 G A -0.7293
141 R A -1.7873
142 F A 0.2435
143 L A 0.8109
144 C A 0.2107
145 S A -0.1461
146 C A 0.2139
147 P A -0.0672
148 P A -0.2884
149 G A -0.1504
150 Y A -0.1726
151 Q A -1.2569
152 G A -1.0027
153 R A -1.7927
154 S A -0.3517
155 C A 0.0000
156 R A -1.8820
157 S A -0.6733
158 D A -0.6305
159 V A 0.2368
160 D A -0.4117
161 E A -1.1316
162 C A -0.3954
163 R A -1.4969
164 V A 1.3802
165 G A -0.3182
166 E A -1.8838
167 P A -0.3702
168 C A 0.0000
169 R A -1.7960
170 H A -1.3529
171 G A -0.6417
172 G A 0.0000
173 T A -0.0498
174 C A 0.1983
175 L A 0.4025
176 N A -0.3529
177 T A -0.0975
178 P A -0.2755
179 G A -0.1978
180 S A -0.0999
181 F A 0.0306
182 R A -1.7410
183 C A -0.4595
184 Q A -1.1400
185 C A -0.0161
186 P A -0.0497
187 A A 0.0183
188 G A -0.0024
189 Y A 0.5092
190 T A 0.0474
191 G A -0.1921
192 P A -0.2036
193 L A 0.3866
194 C A 0.0000
195 E A -1.0217
196 N A -1.2154
197 P A -0.3529
198 A A 0.2832
199 V A 1.4072
200 P A 0.2552
201 C A 0.1450
202 A A 0.0008
203 P A -0.2612
204 S A -0.1470
205 P A -0.0560
206 C A 0.0000
207 R A -1.8355
208 N A -1.2471
209 G A -0.6285
210 G A -0.1129
211 T A -0.0601
212 C A -0.2317
213 R A -2.0512
214 Q A -1.5322
215 S A -0.4197
216 G A -0.5458
217 D A -1.5444
218 L A 1.2158
219 T A 0.2641
220 Y A -0.1688
221 D A -1.6495
222 C A -0.1992
223 A A 0.0950
224 C A 0.3916
225 L A 0.8221
226 P A -0.1155
227 G A -0.2454
228 F A -0.2679
229 E A -1.8336
230 G A -0.8524
231 Q A -1.2953
232 N A -0.4503
233 C A 0.0000
234 E A -1.5901
235 V A 0.7169
236 N A -0.7128
237 V A 0.4624
238 D A -1.7635
239 D A -1.1945
240 C A -0.1183
241 P A -0.3249
242 G A -0.5974
243 H A -0.8835
244 R A -1.9282
245 C A 0.0000
246 L A 1.1727
247 N A -0.6738
248 G A -0.6244
249 G A -0.1198
250 T A -0.0624
251 C A 0.2676
252 V A 0.9174
253 D A -0.2884
254 G A 0.0858
255 V A 1.5110
256 N A -0.9732
257 T A -0.2769
258 Y A -0.1046
259 N A -1.2165
260 C A -0.3574
261 Q A -1.1520
262 C A -0.0790
263 P A -0.0678
264 P A -0.3986
265 E A -0.7671
266 W A -0.0280
267 T A -0.0765
268 G A -0.5622
269 Q A -1.2034
270 F A 0.0982
271 C A 0.0000
272 T A -0.4042
273 E A -1.8788
274 D A -0.5363
275 V A -0.1530
276 D A -1.5689
277 E A -0.4147
278 C A -0.1290
279 Q A -0.9156
280 L A 0.9557
281 Q A -0.9163
282 P A -0.6868
283 N A -1.3177
284 A A -0.2225
285 C A 0.0000
286 H A -1.0681
287 N A -1.0128
288 G A -0.6146
289 G A -0.1322
290 T A -0.0451
291 C A 0.4838
292 F A 1.8602
293 N A -0.2063
294 T A 0.0936
295 L A 1.5048
296 G A 0.0925
297 G A -0.1850
298 H A -0.4974
299 S A -0.2319
300 C A 0.4024
301 V A 1.8235
302 C A 0.6874
303 V A 0.8146
304 N A -1.0868
305 G A 0.0000
306 W A 0.1301
307 T A -0.0347
308 G A -0.5588
309 E A -1.8732
310 S A -0.3997
311 C A 0.0000
312 S A -0.4298
313 Q A -1.3128
314 N A -0.4593
315 I A 0.4299
316 D A -1.7460
317 D A -0.9110
318 C A 0.0203
319 A A 0.0671
320 T A -0.0587
321 A A 0.3328
322 V A 1.7977
323 C A 0.6924
324 F A 0.9892
325 H A -0.8656
326 G A -0.6445
327 A A -0.0597
328 T A -0.0337
329 C A 0.0620
330 H A -0.4934
331 D A -0.7667
332 R A -1.7096
333 V A 0.7917
334 A A 0.2091
335 S A -0.0327
336 F A 0.5864
337 Y A 1.2317
338 C A 0.0000
339 A A 0.0739
340 C A 0.2633
341 P A 0.1482
342 M A 1.0193
343 G A -0.0270
344 K A -0.8159
345 T A -0.1238
346 G A 0.1746
347 L A 1.5844
348 L A 0.5733
349 C A 0.0000
350 H A -0.3998
351 L A -0.1806
352 D A -1.8713
353 D A -0.7092
354 A A -0.0294
355 C A 0.4060
356 V A 1.7230
357 S A -0.1227
358 N A -1.3305
359 P A -0.3233
360 C A 0.0102
361 H A -0.6024
362 E A -2.1966
363 D A -2.1183
364 A A 0.0764
365 I A 2.0444
366 C A 0.2197
367 D A -1.7591
368 T A 0.0000
369 N A -0.3182
370 P A 0.0070
371 V A 1.4959
372 N A -0.9708
373 G A -0.6687
374 R A -1.8634
375 A A 0.0000
376 I A 0.8457
377 C A 0.2453
378 T A -0.0188
379 C A 0.1776
380 P A -0.0361
381 P A -0.2695
382 G A -0.0285
383 F A 0.1804
384 T A -0.0661
385 G A -0.4817
386 G A -0.5333
387 A A -0.0493
388 C A 0.0000
389 D A -2.0079
390 Q A -1.6050
391 D A -0.5576
392 V A 0.0855
393 D A -1.0505
394 E A -0.4413
395 C A 0.0891
396 S A 0.1845
397 I A 1.8874
398 G A -0.0820
399 A A -0.2301
400 N A -1.1016
401 P A -0.2331
402 C A 0.0000
403 E A -1.5546
404 H A -0.3319
405 L A 1.4873
406 G A 0.0000
407 R A -1.9684
408 C A 0.0000
409 V A 0.4258
410 N A -0.3256
411 T A -0.2903
412 Q A -1.2176
413 G A -0.3152
414 S A -0.0392
415 F A 0.7737
416 L A 1.6004
417 C A 0.1214
418 Q A -1.3316
419 C A -0.0361
420 G A -0.5882
421 R A -1.9074
422 G A -0.1444
423 Y A -0.0120
424 T A -0.0449
425 G A -0.2137
426 P A -0.5710
427 R A -1.6559
428 C A 0.0000
429 E A -1.4545
430 T A -0.5434
431 D A -1.1491
432 V A 0.3389
433 N A -0.6624
434 E A -0.8263
435 C A 0.2661
436 L A 1.5306
437 S A -0.0170
438 G A -0.5109
439 P A -0.1013
440 C A -0.1657
441 R A -1.9539
442 N A -1.2470
443 Q A -1.3221
444 A A -0.2005
445 T A -0.0397
446 C A 0.2956
447 L A 0.6911
448 D A -0.6667
449 R A -1.4802
450 I A 1.6803
451 G A 0.0000
452 Q A -1.1511
453 F A -0.0364
454 T A 0.0398
455 C A 0.3966
456 I A 1.7371
457 C A 0.6179
458 M A 0.5813
459 A A 0.1473
460 G A -0.2342
461 F A -0.0544
462 T A -0.0512
463 G A -0.2599
464 T A 0.0057
465 Y A 0.6596
466 C A 0.0000
467 E A -0.5688
468 V A 0.7231
469 D A -1.3910
470 I A 0.1728
471 D A -1.8257
472 E A -1.3463
473 C A -0.3009
474 Q A -1.2185
475 S A -0.4680
476 S A -0.2592
477 P A -0.0716
478 C A 0.2436
479 V A 0.8936
480 N A -0.7379
481 G A -0.6289
482 G A 0.2094
483 V A 1.7873
484 C A 0.2300
485 K A -1.6760
486 D A -2.3000
487 R A -1.8438
488 V A 1.2044
489 N A -0.9787
490 G A -0.2198
491 F A 0.3813
492 S A 0.0862
493 C A 0.1006
494 T A -0.0031
495 C A 0.1553
496 P A -0.1136
497 S A -0.2496
498 G A -0.3513
499 F A 0.0042
500 S A -0.1162
501 G A -0.3997
502 S A -0.2772
503 T A -0.0420
504 C A 0.0000
505 Q A -0.9689
506 L A 0.6963
507 D A -1.3451
508 V A 0.3136
509 D A -1.8355
510 E A -1.5432
511 C A -0.1185
512 A A 0.0367
513 S A -0.2148
514 T A -0.1157
515 P A -0.0520
516 C A 0.0000
517 R A -2.0202
518 N A -1.3823
519 G A -0.6382
520 A A 0.0000
521 K A -1.7000
522 C A 0.0000
523 V A 0.4331
524 D A -0.5474
525 Q A -0.8485
526 P A -0.7139
527 D A -1.8697
528 G A -0.4093
529 Y A 0.1882
530 E A -1.1074
531 C A 0.0000
532 R A -1.7074
533 C A 0.3882
534 A A -0.1788
535 E A -1.8188
536 G A 0.0000
537 F A 0.0000
538 E A -1.0767
539 G A -0.6346
540 T A -0.0753
541 L A 0.2912
542 R A -0.8405
543 D A -2.1978
544 R A -2.2237
545 N A -0.4309
546 V A 0.8686
547 D A -1.7203
548 D A -1.1779
549 C A -0.2602
550 S A -0.2593
551 P A -0.6294
552 D A -1.8285
553 P A -0.3443
554 C A -0.2421
555 H A -1.0621
556 H A -0.6755
557 G A -0.5122
558 R A -1.8674
559 C A 0.0000
560 V A 1.5346
561 D A -0.5371
562 G A 0.0362
563 I A 1.9912
564 A A 0.3680
565 S A -0.0706
566 F A 0.3765
567 S A -0.0942
568 C A 0.0597
569 A A 0.1095
570 C A 0.2370
571 A A 0.0137
572 P A -0.2598
573 G A -0.3444
574 Y A 0.0293
575 T A -0.0542
576 G A -0.2881
577 T A -0.3218
578 R A -1.1339
579 C A 0.0000
580 E A -1.7048
581 S A -0.6405
582 Q A -1.0789
583 V A 0.0875
584 D A -1.6912
585 E A -0.9191
586 C A -0.3680
587 R A -1.8700
588 S A -0.7682
589 Q A -1.2436
590 P A -0.2570
591 C A 0.0000
592 R A -1.5976
593 H A -0.6548
594 G A -0.5178
595 G A 0.0000
596 K A -1.6737
597 C A -0.0350
598 L A 0.3455
599 D A -1.5416
600 L A 0.3862
601 V A 1.5450
602 D A -1.7543
603 K A -1.7721
604 Y A -0.0043
605 L A 1.3355
606 C A 0.0152
607 R A -1.7751
608 C A -0.0813
609 P A -0.1130
610 S A -0.2627
611 G A -0.1913
612 T A -0.0667
613 T A -0.0939
614 G A 0.0820
615 V A 1.6764
616 N A 0.0153
617 C A 0.0000
618 E A -0.4990
619 V A 0.8793
620 N A 0.3647
621 I A 1.6514
622 D A -1.5908
623 D A -1.2372
624 C A 0.0000
625 A A 0.0200
626 S A -0.4213
627 N A -1.3201
628 P A -0.2738
629 C A 0.1302
630 T A 0.1134
631 F A 0.9429
632 G A 0.4655
633 V A 1.7837
634 C A 0.1443
635 R A -1.9384
636 D A -0.8703
637 G A -0.3233
638 I A 0.2767
639 N A -1.5000
640 R A -1.9149
641 Y A 0.1546
642 D A -1.6186
643 C A -0.0412
644 V A 1.0771
645 C A 0.1729
646 Q A -0.9762
647 P A -0.4392
648 G A -0.2571
649 F A -0.0566
650 T A -0.0363
651 G A -0.2336
652 P A -0.1647
653 L A 0.6456
654 C A 0.0000
655 N A -0.9592
656 V A 1.2192
657 E A -1.2995
658 I A 0.3963
659 N A -1.2729
660 E A -1.1856
661 C A -0.0386
662 A A 0.0430
663 S A -0.2399
664 S A -0.2597
665 P A -0.0755
666 C A 0.0451
667 G A -0.4577
668 E A -1.9310
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1914 A A 0.0000
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1918 V A -0.1407
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1920 G A -0.6808
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1927 A A 0.0013
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1930 A A 0.0000
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1932 V A -0.1661
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1935 V A 0.5767
1936 D A 0.0000
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1938 L A 0.0724
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1940 K A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.1408
1946 A A 0.0000
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1949 V A 0.7870
1950 N A -0.2808
1951 N A 0.0000
1952 V A 0.1406
1953 E A -1.7339
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4894
1957 A A 0.0000
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1960 K A -1.8793
1961 N A -1.5395
1962 G A -0.6748
1963 A A 0.0000
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1965 K A -0.8450
1966 D A -0.6041
1967 M A -0.0582
1968 Q A -0.6719
1969 D A 0.0000
1970 S A -0.3318
1971 K A -0.9505
1972 E A -1.5508
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 -0.7607
1982 E A -1.6089
1983 G A -0.4176
1984 S A 0.0000
1985 Y A 0.1162
1986 E A -1.4458
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0701
1990 L A 0.0101
1991 L A 0.0000
1992 L A -0.0207
1993 D A -1.8212
1994 H A -0.4177
1995 F A 1.2916
1996 A A 0.0000
1997 N A -0.5142
1998 R A -0.8592
1999 E A -1.8463
2000 I A -0.0243
2001 T A 0.0295
2002 D A 0.0000
2003 H A -0.8273
2004 L A 0.1548
2005 D A -0.4033
2006 R A -0.3655
2007 L A 0.1804
2008 P A 0.0000
2009 R A -1.1512
2010 D A -0.7449
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0532
2014 E A -2.2532
2015 R A -1.5782
2016 L A 1.1450
2017 H A -0.1193
2018 Q A -1.2079
2019 D A -1.1195
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2021 V A 0.0000
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2100 S A 0.0293
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2266 W A 0.8027
2267 S A -0.2918
2268 E A -1.9112
2269 S A -0.6701
2270 T A -0.1617
2271 P A -0.3180
2272 S A -0.3265
2273 P A -0.2883
2274 A A -0.0065
2275 T A -0.0462
2276 A A 0.0290
2277 T A -0.1776
2278 G A -0.4735
2279 A A 0.2191
2280 M A 1.0781
2281 A A 0.2446
2282 T A -0.0751
2283 T A -0.0995
2284 T A -0.2022
2285 G A -0.4736
2286 A A 0.2632
2287 L A 1.5031
2288 P A 0.0941
2289 A A -0.2143
2290 Q A -1.2443
2291 P A -0.2172
2292 L A 1.4499
2293 P A 0.3210
2294 L A 1.4566
2295 S A 0.4618
2296 V A 1.6787
2297 P A 0.0540
2298 S A -0.3103
2299 S A 0.1254
2300 L A 1.5069
2301 A A 0.0700
2302 Q A -1.1731
2303 A A -0.4076
2304 Q A -1.2030
2305 T A -0.5710
2306 Q A -0.8465
2307 L A 1.1721
2308 G A -0.2086
2309 P A -0.5819
2310 Q A -1.3034
2311 P A -0.8593
2312 E A -1.5003
2313 V A 1.3817
2314 T A 0.2091
2315 P A -0.6718
2316 K A -2.0952
2317 R A -2.4440
2318 Q A -1.3076
2319 V A 1.8315
2320 L A 1.8886
2321 A A 0.3507
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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 -0.01 4.6644 View CSV PDB
4.5 -0.0421 4.6644 View CSV PDB
5.0 -0.0815 4.6644 View CSV PDB
5.5 -0.1223 4.6644 View CSV PDB
6.0 -0.1591 4.6644 View CSV PDB
6.5 -0.189 4.6644 View CSV PDB
7.0 -0.2116 4.6644 View CSV PDB
7.5 -0.2292 4.6644 View CSV PDB
8.0 -0.2436 4.6644 View CSV PDB
8.5 -0.2546 4.6644 View CSV PDB
9.0 -0.2608 4.6644 View CSV PDB