Project name: C484R_5

Status: done

Started: 2026-06-12 13:53:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVRKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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             (00:00:01)
[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.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:25)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:37:27)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/60c9e67c2f9875b/tmp/folded.pdb                (00:37:27)
[INFO]       Main:     Simulation completed successfully.                                          (01:23:06)
Show buried residues

Minimal score value
-2.526
Maximal score value
2.622
Average score
-0.2797
Total score value
-649.0851

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 0.9687
2 G A -0.3206
3 P A -0.4275
4 G A -0.5041
5 A A -0.3607
6 R A -1.9182
7 G A -1.1347
8 R A -2.2753
9 R A -2.5260
10 R A -2.5191
11 R A -2.5191
12 R A -2.5212
13 R A -2.2319
14 P A -0.3914
15 M A 0.9670
16 S A -0.0643
17 P A -0.3396
18 P A -0.3475
19 P A -0.3474
20 P A -0.3477
21 P A -0.3478
22 P A -0.3474
23 P A 0.0271
24 V A 1.3873
25 R A -1.5080
26 A A -0.0881
27 L A 1.0340
28 P A 0.1933
29 L A 1.6447
30 L A 2.0836
31 L A 2.1093
32 L A 2.1145
33 L A 1.8431
34 A A 0.2723
35 G A -0.4320
36 P A -0.4122
37 G A -0.5024
38 A A -0.0169
39 A A 0.0788
40 A A 0.0434
41 P A -0.1275
42 P A -0.1646
43 C A 0.3709
44 L A 1.2450
45 D A -1.5932
46 G A -0.8270
47 S A -0.2833
48 P A -0.0838
49 C A -0.1371
50 A A -0.1186
51 N A -0.9374
52 G A -0.6220
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1264
57 Q A -0.4470
58 L A 0.5883
59 P A -0.1595
60 S A -0.5859
61 R A -2.2166
62 E A -2.1552
63 A A -0.3842
64 A A 0.0298
65 C A 0.3733
66 L A 1.6074
67 C A 0.5121
68 P A -0.0702
69 P A -0.2772
70 G A -0.0786
71 W A 0.0634
72 V A 0.2809
73 G A -0.3679
74 E A -2.1145
75 R A -1.8780
76 C A 0.0000
77 Q A -1.1551
78 L A -0.3144
79 E A -1.7882
80 D A -0.5853
81 P A -0.0694
82 C A -0.0762
83 H A -1.0087
84 S A -0.4767
85 G A -0.5154
86 P A -0.1308
87 C A -0.0173
88 A A 0.0007
89 G A -0.5428
90 R A -1.8942
91 G A -0.0362
92 V A 1.7841
93 C A 0.3743
94 Q A -0.4646
95 S A -0.0874
96 S A -0.0637
97 V A 1.0699
98 V A 1.9094
99 A A 0.2951
100 G A -0.4653
101 T A -0.1366
102 A A 0.0000
103 R A -1.7072
104 F A 0.3392
105 S A -0.0603
106 C A -0.2786
107 R A -1.7842
108 C A -0.1330
109 P A -0.3700
110 R A -1.8671
111 G A -0.2284
112 F A 0.9257
113 R A -0.2197
114 G A -0.2673
115 P A -0.4073
116 D A -0.7336
117 C A 0.0000
118 S A -0.0354
119 L A 0.7359
120 P A -0.0203
121 D A -0.3384
122 P A -0.0834
123 C A 0.2796
124 L A 1.1796
125 S A -0.0325
126 S A -0.2593
127 P A -0.0715
128 C A 0.0695
129 A A -0.1210
130 H A -0.8904
131 G A -0.6111
132 A A -0.3986
133 R A -1.8429
134 C A 0.0000
135 S A -0.0979
136 V A 0.6029
137 G A 0.0211
138 P A -0.5864
139 D A -1.8472
140 G A -0.7211
141 R A -1.7834
142 F A 0.2483
143 L A 0.7692
144 C A 0.1841
145 S A -0.1613
146 C A 0.1310
147 P A -0.0817
148 P A -0.2794
149 G A -0.0998
150 Y A -0.1665
151 Q A -1.2582
152 G A -1.0105
153 R A -1.8733
154 S A -0.3688
155 C A 0.0000
156 R A -1.8832
157 S A -0.6664
158 D A -0.5721
159 V A 0.1276
160 D A -0.7635
161 E A -1.0027
162 C A -0.3591
163 R A -1.4962
164 V A 1.3918
165 G A -0.2454
166 E A -1.8737
167 P A -0.3849
168 C A 0.0000
169 R A -2.0045
170 H A -1.3013
171 G A -0.6351
172 G A -0.1328
173 T A -0.0545
174 C A 0.2844
175 L A 0.6855
176 N A -0.6667
177 T A 0.0000
178 P A -0.2686
179 G A -0.1603
180 S A -0.0901
181 F A -0.0770
182 R A -1.7506
183 C A -0.4593
184 Q A -1.1479
185 C A -0.0681
186 P A -0.0685
187 A A 0.0013
188 G A -0.1153
189 Y A 0.3281
190 T A 0.0402
191 G A -0.1581
192 P A -0.1989
193 L A 0.3797
194 C A 0.0000
195 E A -0.6459
196 N A -0.8507
197 P A -0.3219
198 A A 0.2659
199 V A 1.4375
200 P A 0.2586
201 C A 0.1382
202 A A -0.0073
203 P A -0.2607
204 S A -0.1340
205 P A -0.0530
206 C A 0.0000
207 R A -0.9083
208 N A -0.3932
209 G A -0.2385
210 G A -0.0649
211 T A -0.0600
212 C A -0.2378
213 R A -2.0504
214 Q A -1.5287
215 S A -0.4208
216 G A -0.5637
217 D A -1.5465
218 L A 1.2136
219 T A 0.2610
220 Y A -0.1653
221 D A -1.7051
222 C A -0.2308
223 A A 0.0825
224 C A 0.3902
225 L A 0.8303
226 P A -0.1131
227 G A -0.2753
228 F A -0.1733
229 E A -1.8293
230 G A -0.8312
231 Q A -1.2976
232 N A -0.4842
233 C A 0.0000
234 E A -0.0814
235 V A 0.6918
236 N A -0.1100
237 V A 0.2649
238 D A -1.7526
239 D A -0.7938
240 C A -0.0430
241 P A -0.3245
242 G A -0.5989
243 H A -0.8915
244 R A -1.9170
245 C A 0.0269
246 L A 1.2680
247 N A -0.6338
248 G A -0.6202
249 G A -0.1194
250 T A -0.0619
251 C A 0.2895
252 V A 0.9802
253 D A -0.4847
254 G A 0.0788
255 V A 1.5246
256 N A -0.9218
257 T A -0.2537
258 Y A -0.1327
259 N A -1.2179
260 C A -0.3661
261 Q A -1.1517
262 C A -0.0696
263 P A -0.0734
264 P A -0.3838
265 E A -0.6726
266 W A -0.0381
267 T A -0.2359
268 G A -0.4302
269 Q A -1.1849
270 F A 0.0764
271 C A 0.0000
272 T A -0.3894
273 E A -1.9289
274 D A -0.7965
275 V A -0.0011
276 D A -0.5280
277 E A -0.2476
278 C A -0.1664
279 Q A -0.8970
280 L A 1.0781
281 Q A -0.9622
282 P A -0.7017
283 N A -1.3178
284 A A -0.2223
285 C A 0.0000
286 H A -0.8958
287 N A -0.9744
288 G A -0.6130
289 G A -0.1269
290 T A 0.0010
291 C A 0.2459
292 F A 0.5135
293 N A -0.5798
294 T A 0.0823
295 L A 1.5090
296 G A 0.1057
297 G A -0.1717
298 H A -0.5053
299 S A -0.2508
300 C A 0.1262
301 V A 0.3358
302 C A 0.2093
303 V A 0.1265
304 N A -0.3466
305 G A 0.0000
306 W A 0.1262
307 T A -0.0348
308 G A -0.5486
309 E A -1.8671
310 S A -0.3749
311 C A 0.0000
312 S A -0.4146
313 Q A -1.2986
314 N A -0.3694
315 I A 0.6419
316 D A -1.3970
317 D A -0.8202
318 C A 0.0226
319 A A 0.0665
320 T A -0.0585
321 A A 0.3024
322 V A 1.6108
323 C A 0.6134
324 F A 0.8038
325 H A -0.8981
326 G A -0.6453
327 A A -0.0586
328 T A -0.0358
329 C A 0.0611
330 H A -0.5550
331 D A -1.2889
332 R A -1.7958
333 V A 0.8500
334 A A 0.2067
335 S A -0.1940
336 F A 0.5821
337 Y A 1.4028
338 C A 0.0000
339 A A 0.0670
340 C A 0.2779
341 P A 0.1528
342 M A 1.0190
343 G A -0.0231
344 K A -0.7218
345 T A -0.1271
346 G A 0.0975
347 L A 1.5700
348 L A 0.5966
349 C A 0.0000
350 H A -0.4338
351 L A -0.2223
352 D A -1.8873
353 D A -0.8294
354 A A -0.0517
355 C A 0.3118
356 V A 1.1358
357 S A -0.2289
358 N A -1.3295
359 P A -0.3184
360 C A 0.0048
361 H A -0.5911
362 E A -2.1962
363 D A -2.1203
364 A A 0.0759
365 I A 2.0426
366 C A 0.2114
367 D A -1.7609
368 T A 0.0000
369 N A -0.3087
370 P A 0.0170
371 V A 1.5243
372 N A -0.8091
373 G A -0.6474
374 R A -1.8622
375 A A -0.1234
376 I A 1.1584
377 C A 0.3021
378 T A -0.0176
379 C A 0.1846
380 P A -0.0357
381 P A -0.2689
382 G A -0.0347
383 F A 0.1908
384 T A -0.1839
385 G A -0.4851
386 G A -0.5343
387 A A -0.0524
388 C A 0.0000
389 D A -2.0090
390 Q A -1.5876
391 D A -0.4504
392 V A 0.0743
393 D A -0.7713
394 E A -0.4310
395 C A 0.0496
396 S A 0.1794
397 I A 1.8872
398 G A -0.0815
399 A A -0.2421
400 N A -1.1598
401 P A -0.2396
402 C A 0.0000
403 E A -1.7368
404 H A -0.4146
405 L A 1.4774
406 G A 0.0000
407 R A -1.9362
408 C A 0.0000
409 V A 0.4619
410 N A -0.2722
411 T A -0.2709
412 Q A -1.2147
413 G A -0.3178
414 S A -0.0658
415 F A 0.7132
416 L A 1.4966
417 C A 0.0000
418 Q A -1.0457
419 C A 0.0049
420 G A -0.5953
421 R A -1.9136
422 G A -0.0831
423 Y A 0.0099
424 T A -0.0346
425 G A -0.1990
426 P A -0.5494
427 R A -1.5504
428 C A 0.0000
429 E A -1.3253
430 T A -0.5138
431 D A -1.1232
432 V A 0.1467
433 N A -0.6238
434 E A -0.5936
435 C A 0.3045
436 L A 1.5300
437 S A -0.0146
438 G A -0.5109
439 P A -0.1020
440 C A -0.1628
441 R A -1.9532
442 N A -1.2308
443 Q A -1.3187
444 A A -0.2031
445 T A -0.0426
446 C A 0.3002
447 L A 0.7844
448 D A -0.6907
449 R A -1.3704
450 I A 1.6951
451 G A -0.1303
452 Q A -1.1578
453 F A -0.0328
454 T A 0.0439
455 C A 0.4004
456 I A 1.7434
457 C A 0.5947
458 M A 0.5077
459 A A 0.1289
460 G A -0.2643
461 F A -0.0531
462 T A -0.0473
463 G A -0.2585
464 T A 0.0259
465 Y A 0.7669
466 C A 0.0000
467 E A -0.5506
468 V A 0.7041
469 D A -1.3507
470 I A 0.3737
471 D A -1.8277
472 E A -1.6046
473 C A 0.0000
474 Q A -1.2371
475 S A -0.4531
476 S A -0.1673
477 P A -0.0502
478 C A 0.2325
479 V A 0.7868
480 N A -0.7990
481 G A -0.6350
482 G A 0.2132
483 V A 1.5774
484 R A -0.9858
485 K A -2.1649
486 D A -2.3700
487 R A -1.9112
488 V A 0.8132
489 N A -1.0508
490 G A -0.2517
491 F A 0.2125
492 S A -0.0409
493 C A -0.0621
494 T A 0.0069
495 C A 0.1392
496 P A -0.1125
497 S A -0.2428
498 G A -0.3861
499 F A 0.0099
500 S A 0.0190
501 G A -0.4016
502 S A -0.2781
503 T A -0.0421
504 C A 0.0000
505 Q A -0.9689
506 L A 0.6767
507 D A -1.4236
508 V A -0.1330
509 D A -1.8654
510 E A -1.2623
511 C A -0.0660
512 A A 0.0369
513 S A -0.2149
514 T A -0.1156
515 P A -0.0492
516 C A 0.0000
517 R A -2.0424
518 N A -1.5003
519 G A -0.6576
520 A A -0.3590
521 K A -1.6850
522 C A -0.1388
523 V A 0.2360
524 D A -1.4894
525 Q A -1.1334
526 P A -0.7370
527 D A -1.8661
528 G A -0.3417
529 Y A -0.0443
530 E A -1.2856
531 C A -0.5105
532 R A -1.7834
533 C A -0.0983
534 A A -0.2577
535 E A -1.8152
536 G A 0.0000
537 F A -0.0513
538 E A -1.6567
539 G A -0.5597
540 T A -0.0549
541 L A 0.3218
542 C A 0.0000
543 D A -1.9305
544 R A -2.1887
545 N A -0.4530
546 V A 0.4609
547 D A -1.5901
548 D A -0.9704
549 C A -0.2472
550 S A -0.4412
551 P A -0.6350
552 D A -1.8480
553 P A -0.3554
554 C A 0.0000
555 H A -1.0559
556 H A -0.5630
557 G A -0.4859
558 R A -1.8624
559 C A 0.0000
560 V A 1.6103
561 D A -0.5228
562 G A 0.0407
563 I A 1.9923
564 A A 0.3647
565 S A -0.0768
566 F A 0.3598
567 S A -0.0945
568 C A 0.0660
569 A A -0.0700
570 C A 0.2491
571 A A 0.0102
572 P A -0.2600
573 G A -0.3313
574 Y A 0.0232
575 T A -0.0459
576 G A -0.2847
577 T A -0.4010
578 R A -1.5899
579 C A 0.0000
580 E A -1.8420
581 S A -0.6773
582 Q A -1.1099
583 V A -0.0041
584 D A -1.2749
585 E A -0.5559
586 C A 0.0000
587 R A -1.8837
588 S A -0.7737
589 Q A -1.2433
590 P A -0.2403
591 C A -0.3165
592 R A -1.9182
593 H A -0.8948
594 G A -0.5600
595 G A -0.4223
596 K A -1.7105
597 C A 0.0000
598 L A 0.0242
599 D A -1.5233
600 L A 0.7243
601 V A 1.6099
602 D A -1.7870
603 K A -1.8723
604 Y A -0.0247
605 L A 0.9935
606 C A -0.0922
607 R A -1.7867
608 C A -0.1344
609 P A -0.0851
610 S A -0.2442
611 G A -0.3047
612 T A 0.0000
613 T A -0.0822
614 G A 0.0738
615 V A 1.6828
616 N A 0.0741
617 C A 0.0000
618 E A -0.3797
619 V A 0.8715
620 N A -0.2333
621 I A 0.9777
622 D A -1.6569
623 D A -1.0730
624 C A -0.0529
625 A A 0.0339
626 S A -0.4322
627 N A -1.3184
628 P A -0.2565
629 C A 0.1511
630 T A 0.1516
631 F A 1.0237
632 G A 0.3232
633 V A 1.7388
634 C A 0.1016
635 R A -1.9312
636 D A -0.8593
637 G A -0.3220
638 I A 0.5113
639 N A -1.3901
640 R A -1.9692
641 Y A -0.1626
642 D A -1.6642
643 C A -0.1462
644 V A 0.5837
645 C A 0.0156
646 Q A -1.2266
647 P A -0.6316
648 G A 0.0000
649 F A 0.0524
650 T A -0.0189
651 G A -0.2025
652 P A -0.1459
653 L A 0.7173
654 C A 0.0000
655 N A -0.8323
656 V A 1.0846
657 E A -1.2932
658 I A 0.4362
659 N A -1.1327
660 E A -0.5064
661 C A 0.0719
662 A A 0.0406
663 S A -0.2416
664 S A -0.2615
665 P A -0.0759
666 C A 0.0458
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1949 V A 0.8219
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1953 E A -1.7330
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6167
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1968 Q A -0.6958
1969 D A 0.0000
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1971 K A -0.8109
1972 E A -1.3303
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
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1980 A A 0.0000
1981 R A -0.6219
1982 E A -0.8499
1983 G A -0.2953
1984 S A 0.0000
1985 Y A 0.0385
1986 E A -1.3710
1987 A A 0.0000
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1989 K A -0.7914
1990 L A 0.0503
1991 L A 0.0000
1992 L A -0.0135
1993 D A -1.7998
1994 H A -0.2882
1995 F A 1.3628
1996 A A 0.0000
1997 N A -0.3259
1998 R A -0.6283
1999 E A -1.6970
2000 I A -0.0682
2001 T A -0.1606
2002 D A 0.0000
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2004 L A 0.9676
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2006 R A -0.6545
2007 L A 0.2926
2008 P A 0.0000
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2010 D A -1.3285
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2744
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2016 L A 1.1501
2017 H A -0.1178
2018 Q A -1.3554
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2264 S A -0.2556
2265 D A -1.6089
2266 W A 0.8176
2267 S A -0.3323
2268 E A -1.9019
2269 S A -0.5915
2270 T A -0.1580
2271 P A -0.3100
2272 S A -0.3104
2273 P A -0.2839
2274 A A -0.0017
2275 T A -0.0487
2276 A A 0.0291
2277 T A -0.1436
2278 G A -0.4686
2279 A A 0.1905
2280 M A 1.0768
2281 A A 0.2483
2282 T A -0.0764
2283 T A -0.1010
2284 T A -0.1804
2285 G A -0.4687
2286 A A 0.2604
2287 L A 1.5100
2288 P A 0.0537
2289 A A -0.2730
2290 Q A -1.2327
2291 P A -0.1785
2292 L A 1.4484
2293 P A 0.3341
2294 L A 1.4496
2295 S A 0.5005
2296 V A 1.6827
2297 P A 0.0337
2298 S A -0.3106
2299 S A 0.1226
2300 L A 1.5071
2301 A A 0.0608
2302 Q A -1.1733
2303 A A -0.4473
2304 Q A -1.1980
2305 T A -0.5266
2306 Q A -0.8478
2307 L A 1.1807
2308 G A -0.2473
2309 P A -0.5957
2310 Q A -1.2964
2311 P A -0.9186
2312 E A -1.5556
2313 V A 1.4247
2314 T A 0.2661
2315 P A -0.6594
2316 K A -2.1116
2317 R A -2.3941
2318 Q A -1.1362
2319 V A 1.7791
2320 L A 1.8847
2321 A A 0.4279
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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 -0.0025 4.6637 View CSV PDB
4.5 -0.0344 4.6637 View CSV PDB
5.0 -0.0732 4.6637 View CSV PDB
5.5 -0.1131 4.6637 View CSV PDB
6.0 -0.1493 4.6637 View CSV PDB
6.5 -0.179 4.6637 View CSV PDB
7.0 -0.2019 4.6637 View CSV PDB
7.5 -0.2199 4.6637 View CSV PDB
8.0 -0.2345 4.6637 View CSV PDB
8.5 -0.2453 4.6637 View CSV PDB
9.0 -0.2512 4.6637 View CSV PDB