Project name: R558C

Status: done

Started: 2026-05-08 07:37:32
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGCCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:30)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:51)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/81ac832b3a974a5/tmp/folded.pdb                (00:29:51)
[INFO]       Main:     Simulation completed successfully.                                          (01:01:31)
Show buried residues

Minimal score value
-4.8098
Maximal score value
5.4784
Average score
-0.7703
Total score value
-1787.9046

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 0.7160
2 G A -0.1720
3 P A -0.6445
4 G A -1.0681
5 A A -1.2884
6 R A -2.5971
7 G A -2.9994
8 R A -4.0296
9 R A -4.1334
10 R A -4.6170
11 R A -4.8098
12 R A -4.1216
13 R A -3.0250
14 P A -1.0956
15 M A 0.0846
16 S A -0.1580
17 P A -0.3824
18 P A -0.5310
19 P A -0.6792
20 P A -0.6651
21 P A -0.4390
22 P A -0.3348
23 P A -0.0680
24 V A 0.8606
25 R A -0.6769
26 A A 0.4883
27 L A 1.7870
28 P A 1.6603
29 L A 3.2003
30 L A 3.8335
31 L A 3.8461
32 L A 3.6638
33 L A 2.7903
34 A A 1.1124
35 G A -0.0434
36 P A -0.4524
37 G A -0.6605
38 A A -0.2757
39 A A -0.4569
40 A A -1.0766
41 P A -0.5052
42 P A -0.9644
43 C A -0.6578
44 L A 0.3898
45 D A -1.3029
46 G A -0.9526
47 S A -1.0747
48 P A -0.9947
49 C A -1.3681
50 A A -1.3925
51 N A -1.6856
52 G A -1.2882
53 G A 0.0000
54 R A -1.7038
55 C A 0.0000
56 T A -0.9502
57 Q A -1.7521
58 L A -1.1447
59 P A -1.2209
60 S A -1.7235
61 R A -3.0022
62 E A -2.9235
63 A A -1.8613
64 A A -1.3415
65 C A -0.8916
66 L A 0.4648
67 C A -0.3433
68 P A -0.1948
69 P A -0.4468
70 G A -1.0141
71 W A -0.8969
72 V A -0.8583
73 G A -1.0395
74 E A -2.0970
75 R A -2.1845
76 C A 0.0000
77 Q A -1.7710
78 L A -1.5181
79 E A -2.2711
80 D A -1.5909
81 P A -1.3367
82 C A -0.9250
83 H A -1.6055
84 S A -1.1448
85 G A -0.8527
86 P A -0.4135
87 C A -0.7701
88 A A -0.6051
89 G A -1.2001
90 R A -1.9227
91 G A -1.0915
92 V A 0.4946
93 C A -0.1638
94 Q A -0.6247
95 S A -0.4132
96 S A -0.0313
97 V A 0.6400
98 V A 1.5698
99 A A 0.6263
100 G A -0.2142
101 T A -0.1061
102 A A 0.0000
103 R A -1.1630
104 F A -0.5290
105 S A -0.7613
106 C A -0.8850
107 R A -1.6709
108 C A -1.1028
109 P A -1.3011
110 R A -1.9547
111 G A -0.3644
112 F A -0.1897
113 R A -0.5400
114 G A -0.5303
115 P A -0.7318
116 D A -0.7556
117 C A 0.0000
118 S A -0.1137
119 L A 0.4329
120 P A 0.1066
121 D A -0.1159
122 P A 0.1040
123 C A 0.2913
124 L A 0.5916
125 S A 0.1857
126 S A -0.1749
127 P A -0.3696
128 C A -1.1251
129 A A -1.6366
130 H A -1.7141
131 G A -1.2994
132 A A -1.5792
133 R A -1.8462
134 C A -0.2338
135 S A -0.0948
136 V A 0.1103
137 G A 0.0000
138 P A -1.1878
139 D A -2.2399
140 G A -1.4959
141 R A -1.9109
142 F A -0.4669
143 L A 0.0965
144 C A -0.6973
145 S A -0.9198
146 C A -1.3327
147 P A -0.8476
148 P A -0.4910
149 G A -0.8448
150 Y A -1.7622
151 Q A -2.3625
152 G A -2.3599
153 R A -2.1887
154 S A -1.8159
155 C A 0.0000
156 R A -2.8752
157 S A -2.2033
158 D A -1.7940
159 V A -1.1070
160 D A -1.1257
161 E A -1.3573
162 C A -1.3683
163 R A -1.7446
164 V A 0.1426
165 G A -1.0002
166 E A -2.3579
167 P A -1.7473
168 C A 0.0000
169 R A -2.9793
170 H A -2.1274
171 G A -1.7724
172 G A -1.7326
173 T A -1.2493
174 C A -1.3664
175 L A -0.3681
176 N A -1.0847
177 T A 0.0000
178 P A -0.9160
179 G A -1.0528
180 S A -0.7827
181 F A -0.9111
182 R A -1.8368
183 C A -1.6504
184 Q A -1.5311
185 C A -1.3083
186 P A -0.6605
187 A A 0.0158
188 G A 0.1050
189 Y A -0.3903
190 T A -0.6621
191 G A -1.1381
192 P A -1.0957
193 L A -1.3712
194 C A 0.0000
195 E A -1.7688
196 N A -1.5433
197 P A -0.3248
198 A A 0.4213
199 V A 1.1902
200 P A 0.0319
201 C A -0.2177
202 A A 0.3173
203 P A 0.0374
204 S A -0.7020
205 P A -1.1071
206 C A -2.1973
207 R A -2.9715
208 N A -2.0017
209 G A -1.3479
210 G A -1.5759
211 T A -1.1810
212 C A -1.8452
213 R A -2.9326
214 Q A -2.4292
215 S A -1.8283
216 G A -1.3160
217 D A -1.2382
218 L A 0.4394
219 T A -0.6693
220 Y A -1.7222
221 D A -2.7724
222 C A 0.0000
223 A A -0.9386
224 C A -0.8893
225 L A 0.0960
226 P A -0.0143
227 G A -0.4436
228 F A -1.1195
229 E A -2.3191
230 G A -2.0524
231 Q A -2.4012
232 N A -2.3792
233 C A 0.0000
234 E A -2.4322
235 V A -0.9747
236 N A -0.7663
237 V A -0.8990
238 D A -1.7882
239 D A -1.5631
240 C A -1.4034
241 P A -1.3233
242 G A -1.3083
243 H A -1.5905
244 R A -2.1215
245 C A 0.0000
246 L A 0.0065
247 N A -0.8701
248 G A -0.6204
249 G A -0.8245
250 T A -0.6245
251 C A -0.7724
252 V A -0.2522
253 D A -0.9351
254 G A -0.2744
255 V A 0.7075
256 N A -0.6491
257 T A -0.6628
258 Y A -1.2695
259 N A -1.8081
260 C A -1.3271
261 Q A -1.3840
262 C A -1.1302
263 P A -0.6360
264 P A -0.6989
265 E A -1.2505
266 W A -1.2275
267 T A -1.4305
268 G A -1.5849
269 Q A -1.9301
270 F A -1.4175
271 C A 0.0000
272 T A -1.2102
273 E A -2.1479
274 D A -1.5543
275 V A -1.4522
276 D A -1.9953
277 E A -1.4949
278 C A -1.1814
279 Q A -1.6504
280 L A -0.4300
281 Q A -1.7148
282 P A -1.5623
283 N A -2.1742
284 A A -1.3577
285 C A 0.0000
286 H A -2.1517
287 N A -2.3789
288 G A -1.8390
289 G A -0.5497
290 T A 0.6247
291 C A 0.3956
292 F A 1.5025
293 N A -0.1583
294 T A 0.3236
295 L A 0.6213
296 G A -0.4936
297 G A -0.2990
298 H A -0.2301
299 S A 0.2171
300 C A 0.6426
301 V A 1.8054
302 C A 0.1465
303 V A -0.5832
304 N A -1.2055
305 G A 0.0000
306 W A -0.7829
307 T A -0.9524
308 G A -1.3104
309 E A -2.0282
310 S A -1.5324
311 C A 0.0000
312 S A -1.6472
313 Q A -1.8876
314 N A -1.4885
315 I A -0.8612
316 D A -1.9060
317 D A -0.9567
318 C A -0.3338
319 A A -0.1849
320 T A 0.1627
321 A A 0.8968
322 V A 2.0139
323 C A 1.6921
324 F A 1.0843
325 H A -0.5765
326 G A -0.3791
327 A A 0.2569
328 T A 0.2734
329 C A 0.4879
330 H A -0.7455
331 D A -1.4326
332 R A -1.8617
333 V A -1.2423
334 A A -1.0773
335 S A -0.7097
336 F A 0.1700
337 Y A 1.0193
338 C A 0.0000
339 A A 0.6096
340 C A 0.5529
341 P A 0.1420
342 M A 0.7862
343 G A -0.0449
344 K A -0.8993
345 T A -0.4735
346 G A 0.4849
347 L A 2.3574
348 L A 1.9996
349 C A 0.0000
350 H A 0.1173
351 L A -1.0428
352 D A -2.2513
353 D A -1.4996
354 A A -1.2504
355 C A -0.4135
356 V A 0.8174
357 S A -0.0084
358 N A -1.0749
359 P A -1.0617
360 C A -1.2896
361 H A -2.0731
362 E A -2.8368
363 D A -2.2044
364 A A -0.9011
365 I A 0.8997
366 C A -0.1034
367 D A -1.4018
368 T A 0.0000
369 N A -0.9129
370 P A -0.0302
371 V A 1.0394
372 N A -1.3546
373 G A -1.9448
374 R A -2.5254
375 A A -1.3291
376 I A -0.5068
377 C A -0.4181
378 T A 0.2501
379 C A -0.3239
380 P A -0.3592
381 P A -0.5282
382 G A -0.9475
383 F A -1.4290
384 T A -1.1657
385 G A -1.3646
386 G A -1.2263
387 A A -1.3047
388 C A 0.0000
389 D A -2.7168
390 Q A -2.5436
391 D A -2.0270
392 V A -1.3193
393 D A -1.6915
394 E A -1.3381
395 C A -1.0059
396 S A -1.0344
397 I A -0.8359
398 G A -0.8597
399 A A -0.9433
400 N A -1.6609
401 P A -1.1798
402 C A 0.0000
403 E A -2.4060
404 H A -1.5302
405 L A -0.0067
406 G A 0.0000
407 R A -2.0698
408 C A 0.0000
409 V A -0.0758
410 N A -0.7024
411 T A -0.6649
412 Q A -1.6407
413 G A -1.2538
414 S A -0.5728
415 F A -0.0317
416 L A 0.4217
417 C A -1.0684
418 Q A -1.5709
419 C A -1.6673
420 G A -1.3591
421 R A -2.1253
422 G A 0.0000
423 Y A -1.5398
424 T A -1.6712
425 G A -1.4515
426 P A -1.2869
427 R A -2.5955
428 C A 0.0000
429 E A -2.7769
430 T A -1.9660
431 D A -2.2985
432 V A -0.9925
433 N A -0.7350
434 E A -0.6625
435 C A -0.0295
436 L A 1.0947
437 S A 0.2024
438 G A -0.4444
439 P A -0.3191
440 C A -1.0245
441 R A -2.3017
442 N A -1.8764
443 Q A -2.0404
444 A A -1.0446
445 T A 0.0000
446 C A -0.3021
447 L A -0.4736
448 D A -1.4381
449 R A -2.1453
450 I A -0.9743
451 G A 0.0000
452 Q A -1.7098
453 F A -0.7434
454 T A -0.2395
455 C A 0.0377
456 I A 0.3063
457 C A -0.1245
458 M A -0.2130
459 A A 0.0993
460 G A -0.8715
461 F A -0.4488
462 T A -0.2487
463 G A -0.1740
464 T A 0.0940
465 Y A 0.0628
466 C A 0.0000
467 E A -1.1685
468 V A -0.3639
469 D A -1.8941
470 I A -1.5585
471 D A -3.2635
472 E A -3.0674
473 C A -2.2296
474 Q A -2.2728
475 S A -1.3515
476 S A -0.6528
477 P A -0.0551
478 C A 0.3092
479 V A 0.5196
480 N A -0.7189
481 G A -0.2471
482 G A 0.3717
483 V A 1.2312
484 C A -0.5480
485 K A -2.2752
486 D A -3.6428
487 R A -2.9133
488 V A -0.6694
489 N A -1.5373
490 G A -1.4990
491 F A -1.5924
492 S A -0.7966
493 C A 0.1968
494 T A 0.3748
495 C A 0.3739
496 P A -0.2612
497 S A -1.0317
498 G A -2.0608
499 F A -1.1385
500 S A -0.6127
501 G A -0.3980
502 S A -0.2159
503 T A 0.0692
504 C A 0.0000
505 Q A -0.9583
506 L A -0.3046
507 D A -2.5072
508 V A -1.9718
509 D A -2.9740
510 E A -2.8163
511 C A -1.7935
512 A A -1.0172
513 S A -0.7090
514 T A -0.9616
515 P A -1.0420
516 C A 0.0000
517 R A -3.4877
518 N A -3.0664
519 G A -2.4408
520 A A -2.9947
521 K A -2.9822
522 C A -2.3977
523 V A -2.1171
524 D A -3.5031
525 Q A -3.1840
526 P A -2.6729
527 D A -2.9764
528 G A -2.3311
529 Y A -2.2861
530 E A -2.6092
531 C A -2.4532
532 R A -3.1485
533 C A -3.0867
534 A A -2.0667
535 E A -1.9275
536 G A -1.2579
537 F A -2.5806
538 E A -3.3537
539 G A -2.2068
540 T A -1.5100
541 L A -1.9889
542 C A 0.0000
543 D A -3.7858
544 R A -3.6708
545 N A -2.4690
546 V A -1.7389
547 D A -2.2406
548 D A -1.3718
549 C A -1.2465
550 S A -1.6324
551 P A -1.5827
552 D A -2.2082
553 P A 0.0000
554 C A 0.0000
555 H A -2.1501
556 H A -1.4972
557 G A -0.4733
558 C A 0.5467
559 C A 0.1800
560 V A 1.1754
561 D A -0.2027
562 G A 0.5368
563 I A 0.8912
564 A A -0.0217
565 S A 0.2107
566 F A 0.1745
567 S A 0.3756
568 C A -0.0831
569 A A 0.6282
570 C A -0.4291
571 A A -0.4098
572 P A -0.7112
573 G A 0.0000
574 Y A -1.1644
575 T A -1.1412
576 G A -1.2642
577 T A -0.9831
578 R A -1.9591
579 C A 0.0000
580 E A -2.5776
581 S A -1.8578
582 Q A -1.7494
583 V A -1.6587
584 D A -2.6239
585 E A -2.3355
586 C A 0.0000
587 R A -3.0107
588 S A -1.9500
589 Q A -2.6422
590 P A -1.4804
591 C A -1.7674
592 R A -2.7342
593 H A -1.7905
594 G A -2.0518
595 G A -2.2457
596 K A -2.7789
597 C A 0.0000
598 L A -1.0301
599 D A -2.0020
600 L A -0.2924
601 V A -0.0218
602 D A -2.1164
603 K A -1.8500
604 Y A -0.5853
605 L A 0.5002
606 C A -0.9559
607 R A -2.0357
608 C A -1.3006
609 P A -1.3092
610 S A -0.5966
611 G A -0.8867
612 T A 0.0000
613 T A 0.0299
614 G A 0.3786
615 V A 1.4278
616 N A -0.4486
617 C A 0.0000
618 E A -0.7133
619 V A 0.4585
620 N A -0.9274
621 I A -0.5282
622 D A -2.2742
623 D A -2.7354
624 C A 0.0000
625 A A -1.1021
626 S A -1.2029
627 N A -1.0854
628 P A -0.4083
629 C A -0.0080
630 T A 0.4003
631 F A 1.0266
632 G A 0.6344
633 V A 1.2539
634 C A -0.4831
635 R A -2.2930
636 D A -2.4934
637 G A -1.9728
638 I A -0.9228
639 N A -2.1790
640 R A -2.9759
641 Y A -2.4587
642 D A -1.8042
643 C A -0.2700
644 V A 0.6909
645 C A 0.2800
646 Q A -0.9678
647 P A -1.3243
648 G A -1.6596
649 F A -0.6727
650 T A 0.2183
651 G A 0.2361
652 P A -0.0857
653 L A 0.5575
654 C A 0.0000
655 N A -0.3664
656 V A 0.6355
657 E A -1.5707
658 I A -0.9838
659 N A -1.8222
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2244 Y A 1.2976
2245 L A 1.5710
2246 T A 0.6763
2247 P A -0.1907
2248 S A -0.8047
2249 P A -1.4212
2250 E A -2.4829
2251 S A -1.9726
2252 P A -1.9742
2253 E A -2.6153
2254 H A -1.7605
2255 W A -0.7649
2256 A A -0.3973
2257 S A -0.3085
2258 P A -0.4466
2259 S A -0.6034
2260 P A -0.4377
2261 P A -0.1853
2262 S A 0.0384
2263 L A 0.9222
2264 S A -0.1336
2265 D A -1.2165
2266 W A -0.1598
2267 S A -1.1247
2268 E A -1.9834
2269 S A -1.1256
2270 T A -0.9218
2271 P A -0.7377
2272 S A -0.4979
2273 P A -0.4122
2274 A A -0.1837
2275 T A -0.1737
2276 A A -0.1375
2277 T A -0.1578
2278 G A -0.2233
2279 A A 0.4162
2280 M A 0.9861
2281 A A 0.5485
2282 T A 0.1102
2283 T A -0.2342
2284 T A -0.3734
2285 G A -0.1661
2286 A A 0.5402
2287 L A 1.2392
2288 P A 0.2694
2289 A A -0.4113
2290 Q A -0.8352
2291 P A 0.0343
2292 L A 1.3969
2293 P A 1.1393
2294 L A 2.1310
2295 S A 1.4689
2296 V A 1.8852
2297 P A 0.3910
2298 S A 0.2187
2299 S A 0.4015
2300 L A 1.1667
2301 A A 0.2764
2302 Q A -1.0704
2303 A A -1.2190
2304 Q A -1.7296
2305 T A -0.9102
2306 Q A -0.8540
2307 L A 0.6497
2308 G A -0.3972
2309 P A -0.9595
2310 Q A -1.7560
2311 P A -1.4472
2312 E A -1.3369
2313 V A 0.3885
2314 T A -0.1512
2315 P A -1.2295
2316 K A -2.9336
2317 R A -3.0476
2318 Q A -1.2653
2319 V A 1.5990
2320 L A 2.2121
2321 A A 1.0914
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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 -0.0732 6.5951 View CSV PDB
4.5 -0.1591 6.5951 View CSV PDB
5.0 -0.2634 6.5951 View CSV PDB
5.5 -0.3715 6.5951 View CSV PDB
6.0 -0.4706 6.5951 View CSV PDB
6.5 -0.5528 6.5951 View CSV PDB
7.0 -0.6172 6.5951 View CSV PDB
7.5 -0.6693 6.5951 View CSV PDB
8.0 -0.7129 6.5951 View CSV PDB
8.5 -0.7464 6.5951 View CSV PDB
9.0 -0.7663 6.5951 View CSV PDB