Project name: R332C

Status: done

Started: 2026-05-08 01:44:04
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDCVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:25:49)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/1683692d227cafd/tmp/folded.pdb                (00:25:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:55:26)
Show buried residues

Minimal score value
-4.7396
Maximal score value
5.458
Average score
-0.7562
Total score value
-1755.2329

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 0.7143
2 G A -0.1935
3 P A -0.6289
4 G A -0.9976
5 A A -1.2977
6 R A -2.5575
7 G A -2.7282
8 R A -3.8140
9 R A -4.1818
10 R A -4.5623
11 R A -4.5056
12 R A -4.0333
13 R A -3.0492
14 P A -1.0923
15 M A 0.1161
16 S A -0.1194
17 P A -0.3847
18 P A -0.6414
19 P A -0.6587
20 P A -0.6667
21 P A -0.4392
22 P A -0.3302
23 P A -0.0816
24 V A 0.8621
25 R A -0.6734
26 A A 0.5342
27 L A 1.8131
28 P A 1.6866
29 L A 3.2723
30 L A 3.8788
31 L A 3.8975
32 L A 3.6906
33 L A 2.8078
34 A A 1.1451
35 G A 0.0005
36 P A -0.4171
37 G A -0.6614
38 A A -0.2913
39 A A -0.4579
40 A A -0.8838
41 P A -0.2534
42 P A -0.8268
43 C A -0.5701
44 L A 0.4258
45 D A -1.2862
46 G A -0.9194
47 S A -1.0541
48 P A 0.0000
49 C A -1.3790
50 A A -1.3984
51 N A -1.6794
52 G A -1.2848
53 G A 0.0000
54 R A -1.6849
55 C A 0.0000
56 T A -0.8786
57 Q A -1.6389
58 L A -1.0451
59 P A -1.1782
60 S A -1.7037
61 R A -2.9454
62 E A -2.8733
63 A A -1.8003
64 A A -1.3132
65 C A -0.8811
66 L A 0.4602
67 C A -0.3662
68 P A -0.2003
69 P A -0.4527
70 G A -1.0189
71 W A -0.9189
72 V A -0.8953
73 G A -1.0660
74 E A -2.1288
75 R A -2.2406
76 C A 0.0000
77 Q A -1.8098
78 L A -1.5528
79 E A -2.2907
80 D A -1.6681
81 P A -1.4201
82 C A -1.0456
83 H A -1.6493
84 S A -1.1454
85 G A -0.8558
86 P A -0.5998
87 C A -0.8343
88 A A -0.6261
89 G A -1.2051
90 R A -1.7471
91 G A -1.1532
92 V A 0.3793
93 C A -0.3875
94 Q A -1.1066
95 S A -0.6735
96 S A -0.1928
97 V A 0.5835
98 V A 1.5318
99 A A 0.6069
100 G A -0.2407
101 T A -0.1444
102 A A 0.0000
103 R A -1.3705
104 F A -0.7078
105 S A -0.9344
106 C A -1.0031
107 R A -1.7575
108 C A -1.1512
109 P A -1.3089
110 R A -1.6819
111 G A 0.0000
112 F A -0.1452
113 R A -0.5565
114 G A -0.5429
115 P A -0.7345
116 D A -0.7703
117 C A 0.0000
118 S A -0.1282
119 L A 0.4143
120 P A 0.1805
121 D A 0.0083
122 P A 0.2094
123 C A 0.4579
124 L A 0.9554
125 S A 0.3679
126 S A -0.0530
127 P A -0.3214
128 C A -1.1305
129 A A -1.6240
130 H A -1.7149
131 G A -1.2838
132 A A -1.5605
133 R A -1.8423
134 C A -0.2021
135 S A -0.1286
136 V A 0.0696
137 G A 0.0000
138 P A -1.2021
139 D A -2.2509
140 G A -1.5061
141 R A -1.9300
142 F A -0.4623
143 L A 0.0077
144 C A -0.7257
145 S A -0.9122
146 C A -1.2752
147 P A -0.8111
148 P A -0.5043
149 G A -0.9165
150 Y A -1.8140
151 Q A -2.3890
152 G A -2.3767
153 R A -2.2022
154 S A -1.8204
155 C A 0.0000
156 R A -2.9091
157 S A -2.2775
158 D A -1.9772
159 V A -1.2503
160 D A -1.2258
161 E A -1.4963
162 C A -1.4570
163 R A -1.7020
164 V A 0.1258
165 G A -1.0052
166 E A -2.3732
167 P A -1.7674
168 C A 0.0000
169 R A -2.9992
170 H A -2.1078
171 G A -1.7150
172 G A -1.7421
173 T A -1.2922
174 C A -1.4773
175 L A -0.7475
176 N A -1.2572
177 T A 0.0000
178 P A -0.9914
179 G A -1.1304
180 S A -0.8844
181 F A -1.0313
182 R A -1.9037
183 C A -1.6475
184 Q A -1.5484
185 C A -1.2546
186 P A -0.6405
187 A A 0.0257
188 G A 0.1022
189 Y A -0.3809
190 T A -0.6443
191 G A -0.8955
192 P A -1.0632
193 L A -1.3345
194 C A 0.0000
195 E A -1.7026
196 N A -1.5011
197 P A -0.3374
198 A A 0.3784
199 V A 1.0841
200 P A 0.0117
201 C A -0.1974
202 A A 0.2739
203 P A 0.0182
204 S A -0.6835
205 P A -1.0571
206 C A -2.0099
207 R A -2.7625
208 N A -1.8294
209 G A -1.2846
210 G A -1.4739
211 T A -1.1517
212 C A -1.7426
213 R A -2.8191
214 Q A -2.3307
215 S A -1.7233
216 G A -1.2859
217 D A -1.2599
218 L A 0.4221
219 T A -0.5669
220 Y A -1.4626
221 D A -2.5166
222 C A 0.0000
223 A A -0.8874
224 C A -0.8079
225 L A 0.0443
226 P A -0.0655
227 G A -0.5440
228 F A -0.9849
229 E A -2.1785
230 G A -1.9275
231 Q A -2.2317
232 N A -2.0674
233 C A 0.0000
234 E A -1.8133
235 V A -0.6309
236 N A -0.6431
237 V A -0.8978
238 D A -1.9716
239 D A -1.9804
240 C A -1.6054
241 P A -1.4302
242 G A -1.3760
243 H A -1.6814
244 R A -2.1188
245 C A 0.0000
246 L A 0.0288
247 N A -0.8807
248 G A -0.6273
249 G A -0.8271
250 T A -0.6557
251 C A -0.8970
252 V A -0.4645
253 D A -1.1021
254 G A -0.3547
255 V A 0.6185
256 N A -0.8668
257 T A -0.8248
258 Y A -1.4233
259 N A -1.8916
260 C A -1.3648
261 Q A -1.4141
262 C A -1.1422
263 P A -0.6845
264 P A -0.9330
265 E A -1.4926
266 W A -1.3064
267 T A -1.4583
268 G A -1.6402
269 Q A -1.9444
270 F A -1.4022
271 C A 0.0000
272 T A -1.2308
273 E A -2.1569
274 D A -1.5363
275 V A -1.3248
276 D A -1.7338
277 E A -1.5073
278 C A -1.0146
279 Q A -1.3314
280 L A -0.2438
281 Q A -1.6093
282 P A -1.5161
283 N A -2.1488
284 A A -1.4039
285 C A 0.0000
286 H A -2.0736
287 N A -1.5599
288 G A -0.9790
289 G A -0.2452
290 T A 0.6546
291 C A 0.3921
292 F A 1.5501
293 N A -0.1832
294 T A 0.3266
295 L A 0.6572
296 G A -0.5488
297 G A -0.3612
298 H A -0.4485
299 S A 0.1992
300 C A 0.6489
301 V A 1.8518
302 C A 0.2021
303 V A 0.1697
304 N A -0.6153
305 G A 0.0000
306 W A -0.6769
307 T A -0.9533
308 G A -1.3123
309 E A -2.0408
310 S A -1.5184
311 C A 0.0000
312 S A -1.6136
313 Q A -1.8421
314 N A -1.0808
315 I A -0.6133
316 D A -1.7487
317 D A -0.6558
318 C A -0.2094
319 A A -0.2048
320 T A 0.0509
321 A A 0.8521
322 V A 2.2151
323 C A 1.7128
324 F A 1.1440
325 H A -0.5593
326 G A -0.3589
327 A A 0.2175
328 T A 0.1595
329 C A 0.5184
330 H A -0.7768
331 D A -0.6142
332 C A 0.3275
333 V A 0.4774
334 A A -0.0133
335 S A 0.1350
336 F A 0.8841
337 Y A 1.3781
338 C A 0.0000
339 A A 0.5371
340 C A 0.5696
341 P A 0.1556
342 M A 0.8133
343 G A -0.0073
344 K A -0.9175
345 T A -0.5144
346 G A 0.3579
347 L A 2.4529
348 L A 1.9846
349 C A 0.0000
350 H A -0.0006
351 L A -0.9053
352 D A -2.0549
353 D A -1.2668
354 A A -1.0198
355 C A -0.3022
356 V A 0.8479
357 S A 0.0047
358 N A -1.1000
359 P A -0.7334
360 C A -1.3462
361 H A -2.2010
362 E A -2.9016
363 D A -2.2237
364 A A -0.9477
365 I A 0.8675
366 C A -0.1172
367 D A -1.2455
368 T A 0.0000
369 N A 0.0000
370 P A -0.0096
371 V A 0.6512
372 N A -0.7556
373 G A -1.4306
374 R A -1.7653
375 A A -0.8724
376 I A -0.3306
377 C A -0.3779
378 T A 0.2169
379 C A -0.3700
380 P A -0.3187
381 P A -0.5139
382 G A -0.9156
383 F A -1.4822
384 T A -1.6212
385 G A -1.7337
386 G A -1.1967
387 A A -1.1075
388 C A 0.0000
389 D A -2.7729
390 Q A -2.6056
391 D A -2.0848
392 V A 0.0000
393 D A -1.6480
394 E A -1.0126
395 C A -0.7357
396 S A -0.7422
397 I A -0.5174
398 G A -0.7399
399 A A -0.8512
400 N A -1.9539
401 P A -1.2046
402 C A 0.0000
403 E A -1.9173
404 H A -1.4055
405 L A -1.2070
406 G A 0.0000
407 R A -2.2885
408 C A 0.0000
409 V A -0.0210
410 N A -0.5828
411 T A -0.5524
412 Q A -1.5915
413 G A -1.1841
414 S A -0.4017
415 F A 0.1771
416 L A 0.7002
417 C A -0.7889
418 Q A -1.5368
419 C A -1.4784
420 G A -1.3404
421 R A -1.8330
422 G A 0.0000
423 Y A -1.1138
424 T A -1.3068
425 G A -1.0930
426 P A -0.6767
427 R A -1.4550
428 C A 0.0000
429 E A -1.5029
430 T A -1.4115
431 D A -1.9104
432 V A -0.8481
433 N A -0.7144
434 E A -0.7395
435 C A -0.2556
436 L A 0.9478
437 S A 0.1844
438 G A -0.4840
439 P A -0.2995
440 C A -0.7950
441 R A -2.1502
442 N A -1.8774
443 Q A -1.7623
444 A A -0.5274
445 T A -0.0320
446 C A -0.0273
447 L A -0.5121
448 D A -2.0755
449 R A -2.0048
450 I A -0.2229
451 G A 0.0000
452 Q A -1.6537
453 F A -0.8678
454 T A -0.1614
455 C A 0.5232
456 I A 1.4875
457 C A 0.6744
458 M A 0.1900
459 A A 0.2993
460 G A 0.0000
461 F A -0.2243
462 T A -0.0109
463 G A 0.0370
464 T A 0.3048
465 Y A 0.3514
466 C A 0.0000
467 E A -0.8422
468 V A -0.2256
469 D A -1.8156
470 I A -1.3978
471 D A -3.0693
472 E A -2.9908
473 C A -2.1613
474 Q A -2.1474
475 S A -1.3424
476 S A -0.6542
477 P A -0.0202
478 C A 0.3958
479 V A 0.6122
480 N A -0.6660
481 G A -0.1996
482 G A 0.4289
483 V A 1.2217
484 C A -0.5491
485 K A -2.2671
486 D A -3.5203
487 R A -2.8433
488 V A -0.6029
489 N A -1.4679
490 G A -1.4507
491 F A -1.6914
492 S A -0.8178
493 C A 0.1264
494 T A 0.3830
495 C A 0.2595
496 P A -0.2289
497 S A -1.0592
498 G A -1.8737
499 F A -1.0219
500 S A -0.5503
501 G A -0.2305
502 S A -0.1153
503 T A 0.2051
504 C A 0.0000
505 Q A -0.8076
506 L A -0.8698
507 D A -2.3467
508 V A -1.6734
509 D A -2.4509
510 E A -2.2917
511 C A -1.3609
512 A A -0.7962
513 S A -0.6602
514 T A -0.9813
515 P A -1.2041
516 C A 0.0000
517 R A -3.5235
518 N A -2.9848
519 G A -2.4223
520 A A -3.0369
521 K A -2.9158
522 C A 0.0000
523 V A -1.5018
524 D A -2.3465
525 Q A -2.4569
526 P A -2.2035
527 D A -2.7223
528 G A -1.9657
529 Y A -1.8007
530 E A -2.3556
531 C A -2.6257
532 R A -3.2215
533 C A -3.1424
534 A A -2.0498
535 E A -1.9189
536 G A -1.1029
537 F A -2.4610
538 E A -3.4326
539 G A -2.4315
540 T A -1.7244
541 L A -2.2804
542 C A 0.0000
543 D A -3.7563
544 R A -3.4706
545 N A -2.0146
546 V A -1.3652
547 D A -1.6004
548 D A -1.1054
549 C A -1.4257
550 S A -1.4621
551 P A -1.5046
552 D A -2.6069
553 P A -1.9880
554 C A 0.0000
555 H A -2.6515
556 H A -2.0821
557 G A -1.8640
558 R A -2.1010
559 C A -1.1750
560 V A 0.3660
561 D A -0.3563
562 G A 0.6333
563 I A 1.0521
564 A A 0.1137
565 S A 0.1981
566 F A 0.0888
567 S A -0.1601
568 C A -1.0505
569 A A -0.4168
570 C A -1.1813
571 A A -0.9095
572 P A -0.6675
573 G A 0.0000
574 Y A -1.1000
575 T A -1.1472
576 G A -1.3617
577 T A -1.1325
578 R A -2.5268
579 C A 0.0000
580 E A -2.8499
581 S A -1.8634
582 Q A -1.2757
583 V A -1.3048
584 D A -2.4180
585 E A -2.1338
586 C A -2.2511
587 R A -2.9241
588 S A -1.9098
589 Q A -2.5891
590 P A -1.4482
591 C A -1.7579
592 R A -2.7809
593 H A -1.8927
594 G A -2.1469
595 G A -2.2648
596 K A -2.7678
597 C A -1.7150
598 L A -0.9413
599 D A -1.7215
600 L A -0.0298
601 V A 0.1808
602 D A -1.9318
603 K A -1.7075
604 Y A -0.4604
605 L A 0.5294
606 C A -0.9386
607 R A -2.0450
608 C A -1.2899
609 P A -1.3244
610 S A -0.5257
611 G A -0.7760
612 T A 0.0000
613 T A 0.1919
614 G A 0.4851
615 V A 1.4564
616 N A -0.4320
617 C A 0.0000
618 E A -0.5831
619 V A 0.6105
620 N A -0.7360
621 I A -0.0856
622 D A -2.2390
623 D A -2.8149
624 C A 0.0000
625 A A -1.0650
626 S A -1.2365
627 N A -1.2788
628 P A -0.6150
629 C A -0.1521
630 T A 0.3119
631 F A 0.8381
632 G A 0.4115
633 V A 1.0733
634 C A -0.6707
635 R A -2.4948
636 D A -2.5675
637 G A -2.1045
638 I A -1.0294
639 N A -2.2326
640 R A -3.1443
641 Y A -2.6894
642 D A -2.2884
643 C A 0.0000
644 V A 0.3328
645 C A 0.0674
646 Q A -0.9816
647 P A -1.4407
648 G A -1.9695
649 F A -0.7514
650 T A 0.1238
651 G A 0.1617
652 P A -0.2193
653 L A 0.4071
654 C A 0.0000
655 N A -0.4460
656 V A 0.5657
657 E A -1.7192
658 I A -1.3281
659 N A -2.1761
660 E A -2.3647
661 C A -1.1660
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1973 E A 0.0000
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1976 L A 0.0000
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1982 E A -1.2437
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1990 L A -0.7934
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1993 D A -1.8304
1994 H A -1.0106
1995 F A -0.6289
1996 A A 0.0000
1997 N A -0.9029
1998 R A -1.2665
1999 E A -1.2198
2000 I A -1.0415
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2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.0922
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2016 L A -0.8597
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2018 Q A -2.3623
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2247 P A -0.0146
2248 S A -0.7770
2249 P A -1.3785
2250 E A -2.5444
2251 S A -2.0701
2252 P A -1.9589
2253 E A -2.3633
2254 H A -1.4819
2255 W A -0.0406
2256 A A -0.2776
2257 S A -0.3709
2258 P A -0.3352
2259 S A -0.8324
2260 P A -0.4279
2261 P A -0.1584
2262 S A 0.0086
2263 L A 0.8733
2264 S A -0.0917
2265 D A -1.2061
2266 W A -0.2264
2267 S A -1.1723
2268 E A -1.9587
2269 S A -1.1383
2270 T A -0.9692
2271 P A -0.7430
2272 S A -0.5024
2273 P A -0.4133
2274 A A -0.1653
2275 T A -0.1113
2276 A A -0.1244
2277 T A -0.2916
2278 G A -0.2525
2279 A A 0.3468
2280 M A 1.0026
2281 A A 0.5470
2282 T A 0.1068
2283 T A -0.2399
2284 T A -0.3540
2285 G A -0.1862
2286 A A 0.5350
2287 L A 1.2308
2288 P A 0.1503
2289 A A -0.1212
2290 Q A -0.7977
2291 P A 0.0104
2292 L A 1.3784
2293 P A 1.1870
2294 L A 2.1402
2295 S A 1.4517
2296 V A 1.8741
2297 P A 0.5471
2298 S A 0.2090
2299 S A 0.2810
2300 L A 1.1654
2301 A A 0.2253
2302 Q A -1.1049
2303 A A -1.2135
2304 Q A -1.5971
2305 T A -0.8972
2306 Q A -0.8893
2307 L A 0.4057
2308 G A -0.4782
2309 P A -0.9579
2310 Q A -1.5359
2311 P A -1.4010
2312 E A -1.3459
2313 V A 0.3813
2314 T A -0.4396
2315 P A -1.3560
2316 K A -2.7415
2317 R A -2.8424
2318 Q A -1.2819
2319 V A 1.3982
2320 L A 1.9947
2321 A A 1.0791
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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 -0.0739 7.3963 View CSV PDB
4.5 -0.1604 7.3211 View CSV PDB
5.0 -0.2638 7.2172 View CSV PDB
5.5 -0.37 7.1021 View CSV PDB
6.0 -0.4666 6.9935 View CSV PDB
6.5 -0.5461 6.9101 View CSV PDB
7.0 -0.6087 6.9101 View CSV PDB
7.5 -0.6595 6.9101 View CSV PDB
8.0 -0.7021 6.9101 View CSV PDB
8.5 -0.7346 6.9101 View CSV PDB
9.0 -0.7533 6.9101 View CSV PDB