Project name: R141C

Status: done

Started: 2026-05-08 01:40:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGCFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:26:39)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/313a2706741777a/tmp/folded.pdb                (00:26:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:58:22)
Show buried residues

Minimal score value
-4.8334
Maximal score value
5.7135
Average score
-0.7365
Total score value
-1709.3019

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 0.7195
2 G A -0.1707
3 P A -0.6462
4 G A -1.0522
5 A A -1.4864
6 R A -2.8186
7 G A -2.8596
8 R A -4.0720
9 R A -4.6021
10 R A -4.8334
11 R A -4.7600
12 R A -4.2486
13 R A -3.2563
14 P A -1.3473
15 M A 0.0355
16 S A -0.1933
17 P A -0.3662
18 P A -0.5188
19 P A -0.6839
20 P A -0.6928
21 P A -0.4116
22 P A -0.3568
23 P A -0.1069
24 V A 0.8699
25 R A -0.6528
26 A A 0.5016
27 L A 1.7920
28 P A 1.7019
29 L A 3.2743
30 L A 3.8661
31 L A 3.9283
32 L A 3.7141
33 L A 2.8100
34 A A 1.1758
35 G A -0.0189
36 P A -0.4419
37 G A -0.6640
38 A A -0.2767
39 A A -0.1284
40 A A -0.0081
41 P A -0.6290
42 P A -0.9499
43 C A -0.6627
44 L A 0.4849
45 D A -1.3303
46 G A -0.9582
47 S A -1.1098
48 P A -1.2205
49 C A -1.5869
50 A A -1.5412
51 N A -1.7469
52 G A -1.3366
53 G A 0.0000
54 R A -1.7231
55 C A 0.0000
56 T A -0.7229
57 Q A -1.6026
58 L A -0.9305
59 P A -1.1121
60 S A -1.6549
61 R A -2.8790
62 E A -2.7865
63 A A -1.8700
64 A A -1.2315
65 C A -0.8713
66 L A 0.5257
67 C A -0.2433
68 P A -0.1883
69 P A -0.4388
70 G A -1.0102
71 W A -1.1233
72 V A -0.7511
73 G A -1.1761
74 E A -2.3145
75 R A -2.7243
76 C A 0.0000
77 Q A -1.9039
78 L A -1.5676
79 E A -2.3127
80 D A -1.5607
81 P A -1.3237
82 C A -0.8811
83 H A -1.5274
84 S A -1.1413
85 G A -0.8429
86 P A -0.3395
87 C A -0.7546
88 A A -0.5545
89 G A -0.9850
90 R A -1.8436
91 G A -1.0192
92 V A 0.5508
93 C A -0.0855
94 Q A -0.4333
95 S A -0.3209
96 S A 0.0744
97 V A 0.8559
98 V A 1.6520
99 A A 0.6563
100 G A -0.1469
101 T A -0.1455
102 A A 0.0000
103 R A -1.2779
104 F A -0.3473
105 S A -0.6554
106 C A -0.8312
107 R A -1.6645
108 C A -1.0768
109 P A -1.2515
110 R A -1.9356
111 G A -0.3217
112 F A -0.1117
113 R A -0.5752
114 G A -0.5780
115 P A -0.7949
116 D A -0.8815
117 C A 0.0000
118 S A -0.2218
119 L A 0.6415
120 P A 0.1910
121 D A 0.1122
122 P A 0.5274
123 C A 0.4863
124 L A 0.5317
125 S A 0.1649
126 S A -0.1835
127 P A -0.4382
128 C A -1.1827
129 A A -1.4866
130 H A -1.7142
131 G A -1.2918
132 A A -1.5956
133 R A -1.8773
134 C A -0.3787
135 S A -0.0455
136 V A 0.3841
137 G A -0.2210
138 P A -0.9359
139 D A -1.7234
140 G A -0.6850
141 C A -0.0195
142 F A 0.2477
143 L A 0.1655
144 C A -0.6862
145 S A -0.9966
146 C A -1.3380
147 P A -0.8212
148 P A -0.5164
149 G A -0.9571
150 Y A -1.7598
151 Q A -2.3854
152 G A -2.4727
153 R A -2.4698
154 S A -1.7837
155 C A 0.0000
156 R A -2.9384
157 S A -2.2698
158 D A -1.8455
159 V A -1.0207
160 D A -0.7940
161 E A -0.9376
162 C A -1.1149
163 R A -1.5931
164 V A 0.2832
165 G A -0.9244
166 E A -2.3106
167 P A -1.6169
168 C A 0.0000
169 R A -2.9842
170 H A -2.2282
171 G A -1.8390
172 G A -1.7782
173 T A -1.2412
174 C A -1.2041
175 L A -0.2376
176 N A -0.9812
177 T A 0.0000
178 P A -0.8911
179 G A -1.0114
180 S A -0.6530
181 F A -0.7023
182 R A -1.7220
183 C A -1.5806
184 Q A -1.3346
185 C A -1.3241
186 P A -0.6812
187 A A 0.0688
188 G A -0.0365
189 Y A -0.6276
190 T A -0.7441
191 G A -0.9614
192 P A -1.1129
193 L A -1.4404
194 C A 0.0000
195 E A -1.9360
196 N A -1.5277
197 P A -0.5623
198 A A 0.2277
199 V A 0.8327
200 P A -0.0665
201 C A -0.2950
202 A A 0.0314
203 P A -0.0623
204 S A -0.7394
205 P A -1.0281
206 C A 0.0000
207 R A -2.8863
208 N A -1.9421
209 G A -1.3583
210 G A -1.5800
211 T A -1.2273
212 C A -1.8393
213 R A -2.9197
214 Q A -2.3684
215 S A -1.7133
216 G A -1.2170
217 D A -1.1405
218 L A 0.7085
219 T A -0.4687
220 Y A -1.4902
221 D A -2.7633
222 C A 0.0000
223 A A -0.9733
224 C A -0.9031
225 L A -0.0069
226 P A -0.0973
227 G A -0.5257
228 F A -1.1064
229 E A -2.1106
230 G A -1.8890
231 Q A -2.3365
232 N A -2.2643
233 C A 0.0000
234 E A -2.1384
235 V A -0.8296
236 N A -0.7522
237 V A -0.8868
238 D A -1.7007
239 D A -1.5447
240 C A -1.4513
241 P A -1.3184
242 G A -1.3101
243 H A -1.5079
244 R A -2.0134
245 C A 0.0000
246 L A 0.0189
247 N A -0.9016
248 G A -0.6363
249 G A -0.8171
250 T A -0.5654
251 C A -0.4848
252 V A -0.4822
253 D A -0.9439
254 G A -0.4027
255 V A 0.6134
256 N A -0.7653
257 T A -0.5534
258 Y A -1.1590
259 N A -1.4824
260 C A 0.0000
261 Q A -1.4588
262 C A -1.0335
263 P A -0.7004
264 P A -0.7962
265 E A -1.3494
266 W A -1.2198
267 T A -1.5629
268 G A -1.5755
269 Q A -2.0230
270 F A -1.2332
271 C A 0.0000
272 T A -1.1059
273 E A -2.1165
274 D A -1.4522
275 V A 0.0000
276 D A -0.9888
277 E A -0.7860
278 C A -0.5777
279 Q A -0.9351
280 L A 0.1954
281 Q A -0.9199
282 P A -0.9783
283 N A -1.0792
284 A A -0.7364
285 C A 0.0000
286 H A -0.9034
287 N A -0.8207
288 G A -0.6655
289 G A 0.3961
290 T A 0.8438
291 C A 0.5684
292 F A 1.5011
293 N A -0.1364
294 T A 0.3599
295 L A 0.6535
296 G A -0.4792
297 G A -0.2556
298 H A -0.3741
299 S A 0.0314
300 C A 0.5961
301 V A 1.6474
302 C A 0.6252
303 V A 0.9370
304 N A 0.2159
305 G A 0.0000
306 W A -0.3430
307 T A -0.7560
308 G A -1.3044
309 E A -1.9645
310 S A -1.1387
311 C A 0.0000
312 S A -1.0776
313 Q A -1.8535
314 N A -1.6155
315 I A -1.2521
316 D A -2.2927
317 D A 0.0000
318 C A -0.4462
319 A A -0.2763
320 T A 0.1857
321 A A 0.9197
322 V A 2.0012
323 C A 1.5963
324 F A 0.9830
325 H A -0.8017
326 G A -0.4890
327 A A 0.2576
328 T A 0.2184
329 C A 0.3690
330 H A -1.0020
331 D A -1.8463
332 R A -2.3084
333 V A -1.0018
334 A A -0.9320
335 S A 0.0000
336 F A 0.0000
337 Y A 0.7723
338 C A 0.0000
339 A A 0.6091
340 C A 0.5870
341 P A 0.1789
342 M A 0.8022
343 G A -0.0946
344 K A -0.8351
345 T A -0.7025
346 G A 0.1918
347 L A 1.5756
348 L A 1.6101
349 C A 0.0000
350 H A -0.2851
351 L A -1.1885
352 D A -2.4935
353 D A -1.5971
354 A A -1.4282
355 C A -0.6090
356 V A 0.5622
357 S A -0.2321
358 N A -1.0378
359 P A -1.0868
360 C A -1.3192
361 H A -2.1530
362 E A -2.8428
363 D A -2.2072
364 A A -0.8935
365 I A 0.9253
366 C A -0.1271
367 D A -1.4301
368 T A 0.0000
369 N A -1.4103
370 P A -0.5123
371 V A 0.6267
372 N A -1.3354
373 G A -2.0075
374 R A -2.5396
375 A A 0.0000
376 I A -0.4294
377 C A 0.0000
378 T A 0.0788
379 C A -0.3810
380 P A -0.3571
381 P A -0.4572
382 G A -0.7347
383 F A -1.4361
384 T A -1.3215
385 G A -1.7675
386 G A -1.4111
387 A A -1.3060
388 C A 0.0000
389 D A -2.9179
390 Q A -2.5654
391 D A -1.9942
392 V A -0.8774
393 D A -0.7235
394 E A -0.0719
395 C A -0.0299
396 S A 0.2088
397 I A 1.2910
398 G A 0.1980
399 A A -0.4589
400 N A -1.4582
401 P A -1.0637
402 C A 0.0000
403 E A -2.4015
404 H A -1.3132
405 L A -0.0536
406 G A 0.0000
407 R A -2.0813
408 C A 0.0000
409 V A 0.2752
410 N A -0.3232
411 T A -0.3880
412 Q A -1.8205
413 G A -1.4271
414 S A -0.2092
415 F A 0.5149
416 L A 1.0454
417 C A -0.8260
418 Q A -1.4674
419 C A -1.5914
420 G A -1.3246
421 R A -1.8726
422 G A 0.0000
423 Y A -1.0076
424 T A -1.3574
425 G A -1.2769
426 P A -1.0090
427 R A -2.2367
428 C A 0.0000
429 E A -2.2282
430 T A -1.5840
431 D A -1.2838
432 V A -0.3490
433 N A -0.4233
434 E A -0.4766
435 C A -0.0980
436 L A 1.0982
437 S A 0.2098
438 G A -0.4847
439 P A -0.3368
440 C A -0.8725
441 R A -2.3165
442 N A -1.9617
443 Q A -1.9204
444 A A -0.8062
445 T A -0.3272
446 C A -0.2160
447 L A 0.0000
448 D A -1.3554
449 R A -1.3744
450 I A 0.1560
451 G A 0.0000
452 Q A -1.4345
453 F A -0.6752
454 T A -0.2610
455 C A 0.1936
456 I A 0.8409
457 C A 0.2024
458 M A 0.0162
459 A A 0.2036
460 G A 0.0000
461 F A -0.3830
462 T A -0.1586
463 G A -0.1260
464 T A 0.1241
465 Y A 0.0836
466 C A 0.0000
467 E A -1.1935
468 V A -0.3537
469 D A -1.7509
470 I A -1.2783
471 D A -2.9884
472 E A -2.4285
473 C A -1.9214
474 Q A -2.0679
475 S A -1.2207
476 S A -0.5673
477 P A -0.0059
478 C A 0.3985
479 V A 0.6483
480 N A -0.6358
481 G A -0.2006
482 G A 0.4294
483 V A 1.2520
484 C A -0.2611
485 K A -2.1620
486 D A -3.4323
487 R A -2.7697
488 V A -0.5548
489 N A -1.3766
490 G A -1.3090
491 F A -1.4107
492 S A -0.6747
493 C A 0.2502
494 T A 0.3988
495 C A 0.4138
496 P A -0.3590
497 S A -0.8940
498 G A -1.8275
499 F A -0.8067
500 S A -0.3773
501 G A -0.2220
502 S A -0.0794
503 T A 0.2404
504 C A 0.0000
505 Q A -0.4616
506 L A -0.0101
507 D A -2.2376
508 V A -1.4688
509 D A -2.7312
510 E A -2.7007
511 C A -1.6535
512 A A -0.9626
513 S A -0.7350
514 T A -1.0371
515 P A -0.8393
516 C A 0.0000
517 R A -3.3949
518 N A -2.8333
519 G A -2.3602
520 A A -2.8511
521 K A -2.8738
522 C A -2.2423
523 V A -1.8538
524 D A -3.1353
525 Q A -2.8259
526 P A -2.5301
527 D A -2.8737
528 G A -2.1357
529 Y A -2.1732
530 E A -2.2403
531 C A -2.2212
532 R A -2.9985
533 C A -2.8667
534 A A -1.9399
535 E A -1.8587
536 G A -1.2487
537 F A -2.3969
538 E A -2.8551
539 G A -2.0700
540 T A -1.3683
541 L A -1.6465
542 C A 0.0000
543 D A -3.6729
544 R A -3.5255
545 N A -2.4931
546 V A -1.7523
547 D A -2.3809
548 D A -1.8100
549 C A -1.9793
550 S A -1.7719
551 P A -1.5889
552 D A -2.7752
553 P A -1.9489
554 C A -2.0889
555 H A -2.5249
556 H A -2.0304
557 G A -1.8106
558 R A -2.2532
559 C A 0.0000
560 V A -0.2851
561 D A -1.5893
562 G A -0.0127
563 I A 0.6588
564 A A -0.2506
565 S A -0.2109
566 F A -0.5134
567 S A -0.5047
568 C A -1.2041
569 A A -0.4071
570 C A -1.1213
571 A A -0.8811
572 P A -0.6629
573 G A -0.8262
574 Y A -1.0606
575 T A -0.9601
576 G A -1.2903
577 T A -1.0392
578 R A -2.3361
579 C A 0.0000
580 E A -2.6647
581 S A -1.7764
582 Q A -1.4098
583 V A -1.2756
584 D A -2.1921
585 E A -2.4147
586 C A -2.3724
587 R A -2.9203
588 S A -1.9716
589 Q A -2.7152
590 P A -1.6740
591 C A 0.0000
592 R A -2.7977
593 H A -1.4098
594 G A -2.1155
595 G A -2.4373
596 K A -2.7803
597 C A -1.8492
598 L A -0.9491
599 D A -1.8570
600 L A -0.3939
601 V A -0.0142
602 D A -2.0873
603 K A -1.9083
604 Y A -0.6262
605 L A 0.1698
606 C A -0.9875
607 R A -2.0745
608 C A -1.2609
609 P A -1.0871
610 S A -0.3785
611 G A -0.2413
612 T A 0.0000
613 T A 0.1346
614 G A 0.2651
615 V A 1.3039
616 N A -0.5704
617 C A 0.0000
618 E A -0.5749
619 V A 0.8165
620 N A -0.1125
621 I A 0.0937
622 D A -2.0309
623 D A -2.4904
624 C A -2.1305
625 A A -1.1089
626 S A -1.1293
627 N A -1.1056
628 P A -0.4030
629 C A 0.0857
630 T A 0.3929
631 F A 1.0457
632 G A 0.6905
633 V A 0.9855
634 C A -0.6931
635 R A -2.9532
636 D A -3.3095
637 G A -1.8799
638 I A 0.2893
639 N A -1.6089
640 R A -2.7704
641 Y A -2.5141
642 D A -2.3098
643 C A -0.4502
644 V A 0.8305
645 C A 0.5625
646 Q A -0.6379
647 P A -1.1713
648 G A -1.6719
649 F A -0.5139
650 T A 0.2143
651 G A 0.2130
652 P A -0.1780
653 L A 0.6636
654 C A 0.0000
655 N A -0.3765
656 V A 0.3178
657 E A -1.4471
658 I A -1.0071
659 N A -1.9829
660 E A -2.2358
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1949 V A 0.5945
1950 N A -0.7685
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1952 V A -0.7540
1953 E A -1.8910
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.5170
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1962 G A -1.9503
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1968 Q A -2.0757
1969 D A 0.0000
1970 S A -1.5945
1971 K A -2.0395
1972 E A -2.7843
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 -2.2330
1982 E A -2.1883
1983 G A -1.5294
1984 S A 0.0000
1985 Y A -1.1004
1986 E A -1.6767
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.7903
1990 L A -1.1308
1991 L A 0.0000
1992 L A -1.0941
1993 D A -1.7441
1994 H A -0.7782
1995 F A -0.1306
1996 A A 0.0000
1997 N A -0.9289
1998 R A -1.4653
1999 E A -2.0079
2000 I A -1.4816
2001 T A -1.6983
2002 D A 0.0000
2003 H A -1.6688
2004 L A -0.1539
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2006 R A -1.4606
2007 L A -1.1816
2008 P A 0.0000
2009 R A -2.9204
2010 D A -2.6765
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.3065
2015 R A -2.9346
2016 L A -0.9875
2017 H A -2.0445
2018 Q A -2.4756
2019 D A -2.1025
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2021 V A 0.0000
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2246 T A 0.7859
2247 P A -0.0912
2248 S A -0.8315
2249 P A -1.3773
2250 E A -2.4104
2251 S A -1.9993
2252 P A -1.7494
2253 E A -2.3837
2254 H A -1.4252
2255 W A 0.1443
2256 A A -0.0556
2257 S A -0.1929
2258 P A -0.3986
2259 S A -0.5987
2260 P A -0.4492
2261 P A -0.2234
2262 S A 0.3138
2263 L A 0.8448
2264 S A -0.1893
2265 D A -1.0215
2266 W A -0.2986
2267 S A -0.8909
2268 E A -1.7854
2269 S A -1.2523
2270 T A -0.7824
2271 P A -0.5075
2272 S A -0.4766
2273 P A -0.4161
2274 A A -0.1414
2275 T A -0.0797
2276 A A -0.1044
2277 T A -0.2695
2278 G A -0.2229
2279 A A 0.3121
2280 M A 0.9937
2281 A A 0.5470
2282 T A 0.1433
2283 T A -0.2361
2284 T A -0.3738
2285 G A -0.1706
2286 A A 0.5227
2287 L A 1.3581
2288 P A 0.3108
2289 A A -0.4543
2290 Q A -1.0507
2291 P A -0.1448
2292 L A 1.4034
2293 P A 1.1978
2294 L A 2.0593
2295 S A 1.3619
2296 V A 1.8436
2297 P A 0.4224
2298 S A 0.2412
2299 S A 0.4967
2300 L A 1.1608
2301 A A 0.1154
2302 Q A -1.0709
2303 A A -1.2080
2304 Q A -1.7057
2305 T A -0.9110
2306 Q A -0.7205
2307 L A 0.5832
2308 G A -0.3298
2309 P A -0.8883
2310 Q A -1.9409
2311 P A -1.4025
2312 E A -1.2567
2313 V A 0.6472
2314 T A -0.0790
2315 P A -1.3172
2316 K A -3.0909
2317 R A -2.8629
2318 Q A -1.2454
2319 V A 1.5630
2320 L A 1.9227
2321 A A 1.0592
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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 -0.0507 7.5327 View CSV PDB
4.5 -0.1353 7.4739 View CSV PDB
5.0 -0.2367 7.3794 View CSV PDB
5.5 -0.3411 7.2633 View CSV PDB
6.0 -0.4367 7.1445 View CSV PDB
6.5 -0.5158 7.0415 View CSV PDB
7.0 -0.5779 6.9714 View CSV PDB
7.5 -0.628 6.9638 View CSV PDB
8.0 -0.6695 6.9638 View CSV PDB
8.5 -0.7007 6.9638 View CSV PDB
9.0 -0.7182 6.9638 View CSV PDB