Project name: R640C

Status: done

Started: 2026-05-08 07:41:07
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINCYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:27:44)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/39e02554f66eb47/tmp/folded.pdb                (00:27:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:58:12)
Show buried residues

Minimal score value
-5.0368
Maximal score value
4.1937
Average score
-0.7647
Total score value
-1774.8393

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 0.7088
2 G A -0.1994
3 P A -0.7139
4 G A -1.1475
5 A A -1.5864
6 R A -2.9200
7 G A -3.0934
8 R A -4.2066
9 R A -4.7519
10 R A -5.0368
11 R A -4.9177
12 R A -4.3439
13 R A -3.3628
14 P A -1.4848
15 M A -0.0541
16 S A -0.2141
17 P A -0.3108
18 P A -0.4903
19 P A -0.6995
20 P A -0.7224
21 P A -0.3693
22 P A -0.3767
23 P A -0.1390
24 V A 0.8751
25 R A -0.6233
26 A A 0.5964
27 L A 1.8459
28 P A 1.7029
29 L A 3.3702
30 L A 3.9669
31 L A 3.9768
32 L A 3.7424
33 L A 2.8316
34 A A 1.4154
35 G A 0.1821
36 P A -0.4584
37 G A -0.4902
38 A A -0.2606
39 A A -0.1948
40 A A -0.2784
41 P A -0.6464
42 P A -1.2396
43 C A 0.0000
44 L A -1.5935
45 D A -2.0002
46 G A -1.4434
47 S A -1.0256
48 P A -1.1259
49 C A -1.2219
50 A A -1.2937
51 N A -1.6586
52 G A -1.2915
53 G A -1.2475
54 R A -1.7327
55 C A -0.8046
56 T A -1.0718
57 Q A -2.0999
58 L A -1.1187
59 P A -0.9569
60 S A -1.0322
61 R A -2.9645
62 E A -2.9411
63 A A 0.0000
64 A A -1.2833
65 C A 0.0000
66 L A 0.4181
67 C A -0.3553
68 P A -0.2660
69 P A -0.4759
70 G A -1.0205
71 W A -1.0537
72 V A -0.9221
73 G A -0.9287
74 E A -1.8115
75 R A -1.6598
76 C A 0.0000
77 Q A -1.6057
78 L A -1.4400
79 E A -2.2800
80 D A -1.6756
81 P A -1.4280
82 C A -1.0637
83 H A -1.6357
84 S A -1.1474
85 G A -0.8941
86 P A -0.6682
87 C A -0.9413
88 A A -0.6393
89 G A -1.1032
90 R A -1.6968
91 G A -1.1578
92 V A 0.3129
93 C A -0.4376
94 Q A -1.1590
95 S A -0.7045
96 S A -0.2102
97 V A 0.5231
98 V A 1.3868
99 A A 0.5398
100 G A -0.2643
101 T A -0.1728
102 A A 0.0000
103 R A -1.4136
104 F A -0.9981
105 S A -1.0117
106 C A -1.1139
107 R A -1.8139
108 C A -1.1038
109 P A -1.2557
110 R A -1.8581
111 G A -0.5316
112 F A -0.2979
113 R A -0.6450
114 G A -0.5989
115 P A -0.8904
116 D A -1.0871
117 C A 0.0000
118 S A -0.3414
119 L A 0.5159
120 P A 0.0520
121 D A -0.3667
122 P A -0.0972
123 C A -0.0430
124 L A 0.1552
125 S A -0.0228
126 S A -0.2886
127 P A -0.4628
128 C A -1.1503
129 A A -1.4961
130 H A -1.6899
131 G A -1.2724
132 A A -1.4382
133 R A -1.8590
134 C A -0.5196
135 S A -0.1523
136 V A 0.1096
137 G A 0.0000
138 P A -1.2021
139 D A -2.2517
140 G A -1.4993
141 R A -1.9347
142 F A -0.5875
143 L A -0.1173
144 C A -0.8116
145 S A -1.0012
146 C A -1.3036
147 P A -0.8037
148 P A -0.5178
149 G A -0.8977
150 Y A -1.7334
151 Q A -2.3832
152 G A -2.4671
153 R A -2.4365
154 S A -1.9407
155 C A 0.0000
156 R A -2.9363
157 S A -2.2802
158 D A -1.9524
159 V A -1.1409
160 D A -1.1121
161 E A -1.7230
162 C A -1.5449
163 R A -1.8045
164 V A 0.0576
165 G A -1.0532
166 E A -2.3939
167 P A -1.6492
168 C A 0.0000
169 R A -3.0106
170 H A -2.1690
171 G A -1.7532
172 G A -1.7954
173 T A -1.3406
174 C A -1.5176
175 L A -0.6945
176 N A -1.2684
177 T A -0.8576
178 P A -1.0019
179 G A -1.1406
180 S A -0.8969
181 F A -0.9814
182 R A -1.9260
183 C A -1.6766
184 Q A -1.5804
185 C A -1.2681
186 P A -0.6498
187 A A 0.1654
188 G A 0.1084
189 Y A -0.5520
190 T A -0.6989
191 G A -0.9019
192 P A -1.0675
193 L A -1.3699
194 C A 0.0000
195 E A -1.7094
196 N A -1.5313
197 P A -0.5013
198 A A 0.3802
199 V A 1.1361
200 P A 0.0480
201 C A -0.1576
202 A A 0.3102
203 P A 0.0307
204 S A -0.6906
205 P A -1.1778
206 C A 0.0000
207 R A -2.7858
208 N A -2.1239
209 G A -1.2073
210 G A -1.5597
211 T A -1.1831
212 C A -1.7953
213 R A -2.8413
214 Q A -2.2441
215 S A -1.6808
216 G A -1.3486
217 D A -1.1116
218 L A 0.7198
219 T A -0.4753
220 Y A -1.5139
221 D A -2.7507
222 C A -2.1117
223 A A -0.8780
224 C A -0.8244
225 L A 0.0985
226 P A -0.0481
227 G A -0.5885
228 F A -1.3299
229 E A -2.0699
230 G A -2.0011
231 Q A -2.4004
232 N A -2.3811
233 C A 0.0000
234 E A -2.4588
235 V A -1.3830
236 N A -1.4573
237 V A -1.0528
238 D A -1.8504
239 D A -1.9969
240 C A -1.6205
241 P A -1.3856
242 G A -1.3817
243 H A -1.6829
244 R A -2.1091
245 C A 0.0000
246 L A -0.2808
247 N A -0.8827
248 G A -0.7601
249 G A -0.9224
250 T A -0.6775
251 C A -0.8267
252 V A -0.2445
253 D A -0.9082
254 G A -0.3214
255 V A 0.5218
256 N A -0.9057
257 T A -0.7274
258 Y A -1.1541
259 N A -1.7459
260 C A -1.3274
261 Q A -1.3802
262 C A -1.2002
263 P A -0.7109
264 P A -0.7728
265 E A -1.3202
266 W A -1.2950
267 T A -1.5544
268 G A -1.4903
269 Q A -1.9579
270 F A -1.4310
271 C A 0.0000
272 T A -1.3286
273 E A -2.1777
274 D A -1.5080
275 V A -1.1711
276 D A -1.4110
277 E A -1.1763
278 C A -0.9267
279 Q A -1.2263
280 L A -0.1445
281 Q A -1.5144
282 P A -1.4897
283 N A -2.1497
284 A A -1.4044
285 C A 0.0000
286 H A -2.0696
287 N A -1.6840
288 G A -0.9634
289 G A -0.1511
290 T A 0.7127
291 C A 0.4137
292 F A 1.5584
293 N A -0.0699
294 T A 0.3416
295 L A 0.6419
296 G A -0.5136
297 G A -0.3062
298 H A -0.4262
299 S A 0.1608
300 C A 0.6945
301 V A 1.9608
302 C A 0.4062
303 V A 0.6111
304 N A -0.3843
305 G A 0.0000
306 W A -0.5401
307 T A -0.8673
308 G A -1.2689
309 E A -2.0226
310 S A -1.5315
311 C A 0.0000
312 S A -1.6211
313 Q A -1.9318
314 N A -1.3885
315 I A -0.9086
316 D A -2.1032
317 D A -1.1239
318 C A -0.4675
319 A A -0.2488
320 T A 0.0253
321 A A 0.8547
322 V A 1.9764
323 C A 1.6680
324 F A 1.0034
325 H A -0.7840
326 G A -0.4833
327 A A 0.2643
328 T A 0.2536
329 C A 0.4633
330 H A -0.8372
331 D A -1.4382
332 R A -1.6343
333 V A -0.3270
334 A A -0.5004
335 S A -0.3952
336 F A 0.2519
337 Y A 1.2255
338 C A 0.0000
339 A A 0.6835
340 C A 0.6425
341 P A 0.2084
342 M A 0.8697
343 G A 0.0710
344 K A -0.8078
345 T A -0.5659
346 G A 0.6575
347 L A 2.2770
348 L A 1.7882
349 C A 0.0000
350 H A -0.2142
351 L A -1.0157
352 D A -2.1663
353 D A -1.4100
354 A A -1.1832
355 C A -0.3510
356 V A 0.6208
357 S A -0.1134
358 N A -0.9235
359 P A -0.9465
360 C A -1.1648
361 H A -2.1250
362 E A -2.8541
363 D A -2.1484
364 A A -0.7901
365 I A 1.0629
366 C A 0.1479
367 D A -1.0329
368 T A 0.0000
369 N A -0.8868
370 P A -0.1383
371 V A 0.9933
372 N A -0.8752
373 G A -1.7089
374 R A -2.2536
375 A A -0.9379
376 I A 0.3723
377 C A -0.0002
378 T A 0.4729
379 C A -0.2523
380 P A -0.3743
381 P A -0.5283
382 G A -0.9701
383 F A -1.4995
384 T A -1.2417
385 G A -1.4183
386 G A -0.8794
387 A A -1.1970
388 C A 0.0000
389 D A -2.9246
390 Q A -2.5970
391 D A -2.1259
392 V A -1.2517
393 D A -1.4894
394 E A -0.9572
395 C A -0.4832
396 S A -0.0963
397 I A 1.0039
398 G A 0.1123
399 A A -0.5240
400 N A -1.5562
401 P A -1.1313
402 C A 0.0000
403 E A -2.6936
404 H A -1.4663
405 L A -0.0622
406 G A 0.0000
407 R A -2.1598
408 C A 0.0000
409 V A -0.0089
410 N A -0.6796
411 T A -0.6370
412 Q A -1.9636
413 G A -1.4575
414 S A -0.5752
415 F A 0.0229
416 L A 0.5746
417 C A -1.1411
418 Q A -1.6003
419 C A -1.7501
420 G A -1.2880
421 R A -1.9179
422 G A -1.2080
423 Y A -1.4790
424 T A -1.6706
425 G A -1.6379
426 P A -1.3470
427 R A -2.7662
428 C A 0.0000
429 E A -2.9372
430 T A -2.0691
431 D A -2.1691
432 V A -0.9476
433 N A -0.7860
434 E A -0.8672
435 C A -0.0729
436 L A 0.9081
437 S A 0.0652
438 G A -0.4879
439 P A -0.3831
440 C A -0.7437
441 R A -2.1638
442 N A -2.1305
443 Q A -1.7116
444 A A -0.3625
445 T A 0.3355
446 C A 0.5297
447 L A 0.4310
448 D A -0.7715
449 R A -1.0289
450 I A 0.0732
451 G A 0.0000
452 Q A -1.0391
453 F A -0.1334
454 T A 0.4279
455 C A 0.9836
456 I A 2.0711
457 C A 0.9669
458 M A 0.3959
459 A A 0.4391
460 G A -0.6694
461 F A -0.2225
462 T A 0.3682
463 G A 0.0238
464 T A 0.3042
465 Y A 0.3044
466 C A 0.0000
467 E A -0.9674
468 V A -0.2596
469 D A -1.8484
470 I A -1.5658
471 D A -3.3795
472 E A -3.1864
473 C A -2.2732
474 Q A -2.3308
475 S A -1.3971
476 S A -0.5567
477 P A -0.0842
478 C A 0.3116
479 V A 0.5448
480 N A -0.7370
481 G A -0.2569
482 G A 0.3854
483 V A 1.2738
484 C A -0.3209
485 K A -2.1688
486 D A -3.6180
487 R A -2.9112
488 V A -0.6069
489 N A -1.5483
490 G A -1.5333
491 F A -1.5923
492 S A -0.7412
493 C A 0.2448
494 T A 0.3376
495 C A 0.3606
496 P A -0.3308
497 S A -0.9043
498 G A -1.7809
499 F A -0.9392
500 S A -0.3860
501 G A -0.5067
502 S A -0.2397
503 T A 0.0488
504 C A 0.0000
505 Q A -0.9671
506 L A -0.2762
507 D A -2.3394
508 V A -1.5846
509 D A -2.6189
510 E A -2.2727
511 C A -1.4944
512 A A -0.8258
513 S A -0.5730
514 T A -0.8320
515 P A -0.6942
516 C A 0.0000
517 R A -3.1010
518 N A -2.8492
519 G A -2.3057
520 A A -2.8699
521 K A -2.9828
522 C A -2.0721
523 V A -2.0108
524 D A -3.2792
525 Q A -2.9404
526 P A -2.5039
527 D A -2.8266
528 G A -2.1067
529 Y A -2.0761
530 E A -2.5154
531 C A -2.3909
532 R A -3.0894
533 C A -2.9259
534 A A -1.9724
535 E A -1.9207
536 G A -1.1870
537 F A -2.5085
538 E A -3.1340
539 G A -2.1919
540 T A -1.4869
541 L A -1.8322
542 C A 0.0000
543 D A -3.6763
544 R A -3.8030
545 N A -2.4589
546 V A -1.6709
547 D A -2.1469
548 D A -1.4824
549 C A -1.7031
550 S A -1.6208
551 P A -1.5684
552 D A -2.6917
553 P A -1.9328
554 C A -2.1712
555 H A -2.6112
556 H A -2.0066
557 G A -1.8679
558 R A -2.2435
559 C A -1.2734
560 V A -0.1656
561 D A -0.8772
562 G A 0.3373
563 I A 1.0566
564 A A -0.0314
565 S A 0.1180
566 F A 0.0076
567 S A -0.2623
568 C A -1.1437
569 A A -0.4532
570 C A -0.9714
571 A A -0.7362
572 P A -0.3521
573 G A -0.7038
574 Y A -0.7897
575 T A -0.8853
576 G A -1.2656
577 T A -1.1062
578 R A -2.4826
579 C A 0.0000
580 E A -2.7610
581 S A -1.6842
582 Q A -1.1159
583 V A -1.2660
584 D A -2.5136
585 E A -2.5428
586 C A 0.0000
587 R A -3.0858
588 S A -2.0533
589 Q A -2.7956
590 P A -1.6078
591 C A 0.0000
592 R A -2.7959
593 H A -1.6242
594 G A -1.9932
595 G A -2.2312
596 K A -2.7772
597 C A 0.0000
598 L A -0.9855
599 D A -1.9848
600 L A -0.4728
601 V A -0.0336
602 D A -2.1137
603 K A -1.9633
604 Y A -0.5578
605 L A 0.5531
606 C A -0.8892
607 R A -2.0092
608 C A -1.2425
609 P A -1.1722
610 S A -0.4198
611 G A -0.0894
612 T A -0.2103
613 T A 0.2221
614 G A 0.3006
615 V A 1.4272
616 N A -0.4167
617 C A 0.0000
618 E A -0.3905
619 V A 0.7876
620 N A -0.1995
621 I A 0.7039
622 D A -1.5311
623 D A -1.9183
624 C A 0.0000
625 A A -1.0023
626 S A -1.2138
627 N A -1.4023
628 P A -0.3633
629 C A 0.2570
630 T A 0.8297
631 F A 1.6304
632 G A 0.8895
633 V A 1.2483
634 C A -0.3480
635 R A -2.0865
636 D A -1.8380
637 G A -0.9231
638 I A 0.0473
639 N A -0.7070
640 C A -0.2779
641 Y A -1.1710
642 D A -1.5646
643 C A 0.0000
644 V A 0.5260
645 C A 0.3215
646 Q A -0.9283
647 P A -1.3998
648 G A -1.6619
649 F A -0.3974
650 T A 0.3697
651 G A 0.3828
652 P A -0.0942
653 L A 0.9869
654 C A 0.0000
655 N A -0.2091
656 V A 0.8356
657 E A -1.2768
658 I A -0.6264
659 N A -1.7100
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1995 F A -0.0011
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1998 R A -1.5382
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2244 Y A 1.7177
2245 L A 2.0554
2246 T A 0.9061
2247 P A -0.1129
2248 S A -0.8695
2249 P A -1.4033
2250 E A -2.1629
2251 S A -1.7186
2252 P A -1.9455
2253 E A -2.2716
2254 H A -1.4529
2255 W A 0.2550
2256 A A 0.2916
2257 S A -0.1098
2258 P A -0.4162
2259 S A -0.5689
2260 P A -0.6260
2261 P A -0.2142
2262 S A 0.1380
2263 L A 0.8485
2264 S A -0.2012
2265 D A -1.0261
2266 W A -0.2417
2267 S A -0.9623
2268 E A -1.7923
2269 S A -1.2429
2270 T A -0.7527
2271 P A -0.5071
2272 S A -0.4843
2273 P A -0.4071
2274 A A -0.1416
2275 T A -0.1250
2276 A A -0.1095
2277 T A -0.2075
2278 G A -0.2333
2279 A A 0.4242
2280 M A 0.9886
2281 A A 0.5515
2282 T A 0.1159
2283 T A -0.2368
2284 T A -0.3755
2285 G A -0.1570
2286 A A 0.5182
2287 L A 1.3509
2288 P A 0.3430
2289 A A -0.3845
2290 Q A -1.0341
2291 P A -0.1402
2292 L A 1.3935
2293 P A 1.3210
2294 L A 2.0705
2295 S A 1.5532
2296 V A 1.7946
2297 P A 0.4385
2298 S A 0.2742
2299 S A 0.3847
2300 L A 1.1366
2301 A A 0.1110
2302 Q A -1.0446
2303 A A -1.1663
2304 Q A -1.7261
2305 T A -0.9669
2306 Q A -0.7599
2307 L A 0.5775
2308 G A -0.3409
2309 P A -0.8501
2310 Q A -1.9725
2311 P A -1.5376
2312 E A -1.3457
2313 V A 0.6925
2314 T A -0.0330
2315 P A -1.1122
2316 K A -3.0683
2317 R A -3.0516
2318 Q A -1.3806
2319 V A 1.5309
2320 L A 2.1745
2321 A A 1.1644
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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 -0.0487 6.1647 View CSV PDB
4.5 -0.1345 6.1371 View CSV PDB
5.0 -0.2385 6.1371 View CSV PDB
5.5 -0.3461 6.1371 View CSV PDB
6.0 -0.4444 6.1371 View CSV PDB
6.5 -0.5254 6.1371 View CSV PDB
7.0 -0.589 6.1371 View CSV PDB
7.5 -0.6409 6.1371 View CSV PDB
8.0 -0.6849 6.1371 View CSV PDB
8.5 -0.7194 6.1371 View CSV PDB
9.0 -0.7408 6.1371 View CSV PDB