Project name: R169C

Status: done

Started: 2026-05-08 01:42:03
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCCHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:52)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5e18af09961d4f5/tmp/folded.pdb                (00:23:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:55:30)
Show buried residues

Minimal score value
-4.6053
Maximal score value
5.6328
Average score
-0.743
Total score value
-1724.3879

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 0.7162
2 G A -0.1933
3 P A -0.4506
4 G A -0.9386
5 A A -1.2587
6 R A -2.5681
7 G A -2.6673
8 R A -3.8557
9 R A -4.4263
10 R A -4.5177
11 R A -4.5858
12 R A -4.1917
13 R A -3.0581
14 P A -1.1388
15 M A 0.1232
16 S A -0.1284
17 P A -0.3130
18 P A -0.5106
19 P A -0.6359
20 P A -0.6616
21 P A -0.4409
22 P A -0.4073
23 P A -0.0596
24 V A 0.8671
25 R A -0.6781
26 A A 0.5290
27 L A 1.8149
28 P A 1.7093
29 L A 3.2887
30 L A 3.8544
31 L A 3.9716
32 L A 3.6656
33 L A 2.8551
34 A A 1.1302
35 G A -0.0075
36 P A -0.4673
37 G A -0.6462
38 A A -0.2874
39 A A -0.0882
40 A A -0.2232
41 P A -0.6906
42 P A -0.8863
43 C A -0.7436
44 L A 0.2435
45 D A -1.3164
46 G A -0.8464
47 S A -0.6990
48 P A -0.8856
49 C A -1.1473
50 A A -1.3128
51 N A -1.7079
52 G A -1.2119
53 G A -1.1042
54 R A -1.4541
55 C A -0.1289
56 T A -0.7449
57 Q A -1.7219
58 L A -1.1590
59 P A -1.3295
60 S A -1.7079
61 R A -2.8710
62 E A -2.3157
63 A A 0.0000
64 A A -0.7980
65 C A 0.0000
66 L A 0.6753
67 C A -0.0399
68 P A -0.2058
69 P A -0.3903
70 G A -0.9739
71 W A -0.7837
72 V A -0.7890
73 G A -0.9241
74 E A -1.9539
75 R A -1.7585
76 C A 0.0000
77 Q A -1.7241
78 L A -1.4949
79 E A -2.2936
80 D A -1.5770
81 P A -1.3329
82 C A -0.8875
83 H A -1.5368
84 S A -1.1412
85 G A -0.8462
86 P A -0.3793
87 C A -0.7052
88 A A -0.4913
89 G A -0.9741
90 R A -1.6340
91 G A -1.0142
92 V A 0.5331
93 C A -0.1413
94 Q A -0.5083
95 S A -0.4117
96 S A -0.0508
97 V A 0.6186
98 V A 1.5633
99 A A 0.6245
100 G A -0.2344
101 T A -0.1294
102 A A 0.0000
103 R A -1.2384
104 F A -0.5465
105 S A -0.7613
106 C A -0.8655
107 R A -1.6610
108 C A -1.0449
109 P A -1.2263
110 R A -1.6538
111 G A 0.0000
112 F A -0.0722
113 R A -0.5151
114 G A -0.5262
115 P A -0.7225
116 D A -0.7090
117 C A 0.0000
118 S A -0.0246
119 L A 0.4791
120 P A 0.2046
121 D A 0.0146
122 P A 0.1854
123 C A 0.4226
124 L A 0.9784
125 S A 0.3674
126 S A -0.0720
127 P A -0.3824
128 C A -1.2150
129 A A -1.6661
130 H A -1.7337
131 G A -1.3086
132 A A -1.6037
133 R A -1.9133
134 C A -0.3468
135 S A -0.2001
136 V A -0.0156
137 G A -0.7054
138 P A -1.2471
139 D A -2.2935
140 G A -1.5520
141 R A -1.9859
142 F A -0.6034
143 L A -0.2211
144 C A -0.8842
145 S A -0.9870
146 C A -1.3364
147 P A -0.8136
148 P A -0.5087
149 G A -0.9102
150 Y A -1.8338
151 Q A -2.4297
152 G A -2.4790
153 R A -2.4419
154 S A -1.9637
155 C A 0.0000
156 R A -2.9522
157 S A -2.3069
158 D A -1.9703
159 V A -1.2076
160 D A -1.1386
161 E A -1.4374
162 C A -1.4173
163 R A -1.7416
164 V A 0.1407
165 G A -0.9982
166 E A -1.9687
167 P A -1.2288
168 C A 0.0000
169 C A -0.7929
170 H A -1.1724
171 G A -1.1635
172 G A -1.1045
173 T A -0.9642
174 C A -1.1709
175 L A -0.4974
176 N A -1.1918
177 T A -0.8171
178 P A -0.9855
179 G A -1.1226
180 S A -0.8606
181 F A -0.9750
182 R A -1.8569
183 C A -1.3487
184 Q A -1.3296
185 C A -0.9274
186 P A -0.4148
187 A A 0.1915
188 G A 0.1485
189 Y A -0.1199
190 T A -0.4554
191 G A -0.6755
192 P A -0.8066
193 L A -0.6780
194 C A 0.0000
195 E A -1.3110
196 N A -1.3470
197 P A -0.3659
198 A A 0.4333
199 V A 1.2220
200 P A 0.0925
201 C A -0.1868
202 A A 0.3296
203 P A 0.0464
204 S A -0.6097
205 P A -0.9761
206 C A -1.8250
207 R A -2.3381
208 N A -1.6548
209 G A -1.1755
210 G A -1.3625
211 T A -1.1133
212 C A -1.7607
213 R A -2.9251
214 Q A -2.3839
215 S A -1.7940
216 G A -1.2632
217 D A -1.1324
218 L A 0.6753
219 T A -0.5568
220 Y A -1.6156
221 D A -2.7877
222 C A -2.1284
223 A A -0.9088
224 C A -0.7193
225 L A 0.0902
226 P A -0.0648
227 G A -0.4576
228 F A -0.8778
229 E A -2.0395
230 G A -1.7386
231 Q A -2.1393
232 N A -1.8841
233 C A 0.0000
234 E A -1.5019
235 V A -0.3775
236 N A -0.5273
237 V A -0.8162
238 D A -1.7779
239 D A -1.5791
240 C A -1.5096
241 P A -1.3283
242 G A -1.3098
243 H A -1.5759
244 R A -2.0976
245 C A 0.0000
246 L A 0.0988
247 N A -0.8664
248 G A -0.6225
249 G A -0.7901
250 T A -0.5954
251 C A -0.7274
252 V A -0.1844
253 D A -0.9078
254 G A -0.2488
255 V A 0.6783
256 N A -0.7170
257 T A -0.6820
258 Y A -1.2532
259 N A -1.7787
260 C A -1.2871
261 Q A -1.3658
262 C A -1.1728
263 P A -0.7267
264 P A -0.8627
265 E A -1.4807
266 W A -1.2826
267 T A -1.3948
268 G A -1.5397
269 Q A -1.8947
270 F A -1.3659
271 C A 0.0000
272 T A -1.1826
273 E A -2.0935
274 D A -1.4793
275 V A -1.1788
276 D A -1.3345
277 E A -1.1309
278 C A -0.8556
279 Q A -1.1458
280 L A -0.1823
281 Q A -1.2606
282 P A -1.6236
283 N A -2.0275
284 A A -1.2689
285 C A 0.0000
286 H A -2.0354
287 N A -1.7262
288 G A -1.4083
289 G A -0.2539
290 T A 0.5641
291 C A 0.3923
292 F A 1.4560
293 N A -0.0769
294 T A 0.3030
295 L A 0.6244
296 G A -0.5639
297 G A -0.3928
298 H A -0.4963
299 S A 0.1153
300 C A 0.5971
301 V A 1.8091
302 C A 0.1578
303 V A -0.3131
304 N A -1.0160
305 G A 0.0000
306 W A -0.7589
307 T A -0.9595
308 G A -1.3170
309 E A -2.0394
310 S A -1.5041
311 C A 0.0000
312 S A -1.6004
313 Q A -1.8783
314 N A -1.4323
315 I A -0.8203
316 D A -1.9775
317 D A -0.9462
318 C A -0.3380
319 A A -0.2346
320 T A 0.0328
321 A A 0.8667
322 V A 2.0225
323 C A 1.6968
324 F A 1.0995
325 H A -0.5830
326 G A -0.4260
327 A A 0.2453
328 T A 0.2708
329 C A 0.5233
330 H A -0.6791
331 D A -1.2603
332 R A -1.6288
333 V A -1.0482
334 A A -1.1458
335 S A -0.7400
336 F A 0.1912
337 Y A 1.0207
338 C A 0.0000
339 A A 0.5807
340 C A 0.5281
341 P A 0.1436
342 M A 0.7966
343 G A -0.0347
344 K A -1.0187
345 T A -0.6667
346 G A 0.4880
347 L A 2.2779
348 L A 1.7673
349 C A 0.0000
350 H A 0.0437
351 L A -1.0040
352 D A -2.1415
353 D A -1.4302
354 A A -1.2117
355 C A -0.3792
356 V A 0.8334
357 S A 0.0074
358 N A -0.8957
359 P A -0.8427
360 C A -1.2988
361 H A -2.0872
362 E A -2.8285
363 D A -2.1995
364 A A -0.8964
365 I A 0.9003
366 C A -0.0824
367 D A -1.2157
368 T A 0.0000
369 N A 0.0000
370 P A 0.0995
371 V A 1.1479
372 N A -0.7534
373 G A -1.7007
374 R A -2.4655
375 A A 0.0000
376 I A -0.4018
377 C A 0.0000
378 T A 0.1282
379 C A -0.3503
380 P A -0.3439
381 P A -0.4357
382 G A -0.7521
383 F A -1.3424
384 T A -1.1869
385 G A -1.4025
386 G A -1.3015
387 A A -1.3111
388 C A 0.0000
389 D A -2.7340
390 Q A -2.5386
391 D A -1.9354
392 V A -1.0890
393 D A -1.2847
394 E A -0.6237
395 C A -0.4450
396 S A -0.7570
397 I A -0.5288
398 G A -1.2088
399 A A -1.1303
400 N A -1.6255
401 P A -0.8799
402 C A 0.0000
403 E A -1.5067
404 H A -1.0984
405 L A 0.1560
406 G A 0.0000
407 R A -2.0022
408 C A 0.0000
409 V A 0.0961
410 N A -0.4736
411 T A -0.4873
412 Q A -1.6496
413 G A -1.1020
414 S A -0.3317
415 F A 0.3485
416 L A 0.7456
417 C A -0.7924
418 Q A -1.5295
419 C A -1.4439
420 G A -1.2132
421 R A -1.9494
422 G A 0.0000
423 Y A -1.0482
424 T A -1.3949
425 G A -1.3083
426 P A -0.9529
427 R A -1.8468
428 C A 0.0000
429 E A -2.0369
430 T A -1.7033
431 D A -2.0433
432 V A -0.8509
433 N A -0.8919
434 E A -0.8143
435 C A -0.2872
436 L A 0.8974
437 S A 0.1608
438 G A -0.4731
439 P A -0.3252
440 C A -0.7412
441 R A -2.1367
442 N A -1.8439
443 Q A -1.6718
444 A A -0.3814
445 T A 0.1717
446 C A 0.1250
447 L A -0.3335
448 D A -2.1250
449 R A -2.1556
450 I A -0.3321
451 G A 0.0000
452 Q A -1.6864
453 F A -0.8138
454 T A 0.0033
455 C A 0.7767
456 I A 2.0105
457 C A 0.8987
458 M A 0.2567
459 A A 0.3481
460 G A 0.0000
461 F A -0.1590
462 T A 0.0406
463 G A 0.0236
464 T A 0.2862
465 Y A 0.2754
466 C A 0.0000
467 E A -0.9640
468 V A -0.2543
469 D A -1.6875
470 I A -1.1246
471 D A -2.7502
472 E A -2.3537
473 C A -1.8693
474 Q A -2.0209
475 S A -1.1869
476 S A -0.4030
477 P A 0.0493
478 C A 0.3022
479 V A 0.5553
480 N A -0.7543
481 G A -0.2661
482 G A 0.3532
483 V A 1.2170
484 C A -0.4651
485 K A -2.1901
486 D A -3.4162
487 R A -2.7414
488 V A -0.5040
489 N A -1.3466
490 G A -1.2693
491 F A -1.3673
492 S A -0.7172
493 C A 0.1863
494 T A 0.3613
495 C A 0.3681
496 P A -0.3809
497 S A -1.1280
498 G A -1.9400
499 F A -1.1802
500 S A -0.6428
501 G A -0.5280
502 S A -0.2155
503 T A 0.0699
504 C A 0.0000
505 Q A -0.9726
506 L A -0.3059
507 D A -2.3937
508 V A -1.8614
509 D A -2.6838
510 E A -2.5057
511 C A -1.4678
512 A A -0.8782
513 S A -0.6889
514 T A -0.8747
515 P A -0.7738
516 C A 0.0000
517 R A -2.9917
518 N A -3.0240
519 G A -2.2803
520 A A -2.8698
521 K A -2.8760
522 C A -2.0934
523 V A -1.6020
524 D A -2.4664
525 Q A -2.5465
526 P A -2.3940
527 D A -2.7962
528 G A -2.0579
529 Y A -1.9011
530 E A -2.4479
531 C A -2.3522
532 R A -3.1479
533 C A -3.0367
534 A A -1.9899
535 E A -1.9213
536 G A -1.2575
537 F A -2.5085
538 E A -3.3779
539 G A -2.0967
540 T A -1.5708
541 L A -1.8644
542 C A 0.0000
543 D A -3.6724
544 R A -3.6167
545 N A -2.4438
546 V A -1.7603
547 D A -2.2972
548 D A -1.4878
549 C A -1.6710
550 S A -1.6910
551 P A -1.6172
552 D A -2.6956
553 P A -1.9916
554 C A 0.0000
555 H A -2.5771
556 H A -2.0314
557 G A -1.8294
558 R A -2.1074
559 C A 0.0000
560 V A 0.4272
561 D A -0.5942
562 G A 0.4538
563 I A 0.9726
564 A A -0.0439
565 S A 0.1405
566 F A 0.0111
567 S A -0.1236
568 C A -1.0011
569 A A -0.3772
570 C A -1.1288
571 A A -0.8857
572 P A -0.6950
573 G A 0.0000
574 Y A -1.1746
575 T A -1.1813
576 G A -1.3223
577 T A -1.0634
578 R A -2.4035
579 C A 0.0000
580 E A -2.6634
581 S A -1.9032
582 Q A -1.7439
583 V A -1.6784
584 D A -2.6993
585 E A -2.3160
586 C A -2.3384
587 R A -3.0106
588 S A -1.9333
589 Q A -2.8021
590 P A -1.4970
591 C A -1.8237
592 R A -2.8658
593 H A -1.8526
594 G A -2.1717
595 G A -2.2957
596 K A -2.7892
597 C A -1.7400
598 L A -0.9405
599 D A -1.9825
600 L A 0.0147
601 V A 0.1180
602 D A -2.0462
603 K A -1.7725
604 Y A -0.5450
605 L A 0.4149
606 C A -1.0244
607 R A -2.0742
608 C A -1.3173
609 P A -1.2966
610 S A -0.5532
611 G A -0.8408
612 T A 0.0000
613 T A 0.0516
614 G A 0.3997
615 V A 1.3923
616 N A -0.5044
617 C A 0.0000
618 E A -0.6975
619 V A 0.5182
620 N A -0.8622
621 I A -0.4811
622 D A -2.2643
623 D A -2.7636
624 C A 0.0000
625 A A -1.1015
626 S A -1.2060
627 N A -1.1477
628 P A -0.4391
629 C A -0.0627
630 T A 0.3346
631 F A 0.9078
632 G A 0.3909
633 V A 0.6837
634 C A -0.7516
635 R A -2.4720
636 D A -2.5740
637 G A -1.9524
638 I A -0.7418
639 N A -2.1425
640 R A -3.0382
641 Y A -2.4880
642 D A -1.9535
643 C A -0.3690
644 V A 0.6239
645 C A 0.2196
646 Q A -0.9361
647 P A -1.3001
648 G A 0.0000
649 F A -0.6514
650 T A 0.2564
651 G A 0.3092
652 P A -0.0158
653 L A 0.7374
654 C A 0.0000
655 N A -0.3388
656 V A 0.5653
657 E A -1.6367
658 I A -1.0999
659 N A -1.8931
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2244 Y A 1.5205
2245 L A 1.9020
2246 T A 0.8171
2247 P A -0.3045
2248 S A -0.8131
2249 P A -1.4102
2250 E A -2.3866
2251 S A -1.7379
2252 P A -1.9721
2253 E A -2.4456
2254 H A -1.4628
2255 W A 0.2360
2256 A A 0.1520
2257 S A -0.1400
2258 P A -0.4281
2259 S A -0.5796
2260 P A -0.6268
2261 P A -0.2404
2262 S A 0.4231
2263 L A 0.8945
2264 S A -0.2158
2265 D A -1.2241
2266 W A -0.2985
2267 S A -1.0409
2268 E A -1.9988
2269 S A -1.2754
2270 T A -0.7729
2271 P A -0.6936
2272 S A -0.4720
2273 P A -0.3941
2274 A A -0.1822
2275 T A -0.0841
2276 A A -0.1293
2277 T A -0.2952
2278 G A -0.2395
2279 A A 0.2983
2280 M A 1.0015
2281 A A 0.6056
2282 T A 0.1312
2283 T A -0.2327
2284 T A -0.3721
2285 G A -0.1797
2286 A A 0.5948
2287 L A 1.3719
2288 P A 0.2824
2289 A A -0.4031
2290 Q A -1.0097
2291 P A -0.1261
2292 L A 1.4104
2293 P A 1.1420
2294 L A 2.1115
2295 S A 1.3112
2296 V A 1.8678
2297 P A 0.3897
2298 S A 0.2398
2299 S A 0.4171
2300 L A 1.1572
2301 A A 0.1772
2302 Q A -1.0483
2303 A A -1.1987
2304 Q A -1.6943
2305 T A -0.8588
2306 Q A -0.8042
2307 L A 0.6523
2308 G A -0.3817
2309 P A -0.8361
2310 Q A -1.7722
2311 P A -1.4507
2312 E A -1.3227
2313 V A 0.3956
2314 T A -0.1333
2315 P A -1.1888
2316 K A -2.7927
2317 R A -2.9919
2318 Q A -1.3297
2319 V A 1.5633
2320 L A 2.1779
2321 A A 1.3183
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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 -0.0461 7.7108 View CSV PDB
4.5 -0.1302 7.6293 View CSV PDB
5.0 -0.2319 7.5249 View CSV PDB
5.5 -0.3368 7.4149 View CSV PDB
6.0 -0.4326 7.3164 View CSV PDB
6.5 -0.5116 7.2459 View CSV PDB
7.0 -0.5738 7.2085 View CSV PDB
7.5 -0.6249 7.1934 View CSV PDB
8.0 -0.6683 7.1882 View CSV PDB
8.5 -0.7022 7.1865 View CSV PDB
9.0 -0.7227 7.1859 View CSV PDB