Project name: R578C_5

Status: done

Started: 2026-05-22 01:13:01
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTCCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:51)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:51)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:59)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/7e9f07370399d1/tmp/folded.pdb                 (00:33:59)
[INFO]       Main:     Simulation completed successfully.                                          (01:24:37)
Show buried residues

Minimal score value
-2.6313
Maximal score value
2.2556
Average score
-0.2793
Total score value
-648.3456

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 0.9667
2 G A -0.3181
3 P A -0.4321
4 G A -0.5047
5 A A -0.4656
6 R A -1.9240
7 G A -1.1853
8 R A -2.3548
9 R A -2.6022
10 R A -2.5167
11 R A -2.6193
12 R A -2.6313
13 R A -2.2416
14 P A -0.4090
15 M A 0.9655
16 S A -0.0604
17 P A -0.3496
18 P A -0.3591
19 P A -0.3536
20 P A -0.3595
21 P A -0.3585
22 P A -0.3477
23 P A 0.1070
24 V A 1.3798
25 R A -1.5118
26 A A 0.0038
27 L A 1.5031
28 P A 0.3761
29 L A 1.7889
30 L A 2.1209
31 L A 2.1168
32 L A 2.1205
33 L A 1.8456
34 A A 0.2556
35 G A -0.5015
36 P A -0.4255
37 G A -0.5029
38 A A -0.0163
39 A A 0.0770
40 A A 0.0205
41 P A -0.2125
42 P A -0.1943
43 C A 0.4813
44 L A 1.2703
45 D A -1.5972
46 G A -0.8257
47 S A -0.2715
48 P A -0.0452
49 C A -0.0921
50 A A -0.1260
51 N A -0.9822
52 G A -0.6285
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.2224
57 Q A -0.9749
58 L A 0.4845
59 P A -0.1615
60 S A -0.5846
61 R A -2.2160
62 E A -2.1576
63 A A -0.4880
64 A A 0.0267
65 C A 0.3722
66 L A 1.6067
67 C A 0.5095
68 P A -0.0714
69 P A -0.2803
70 G A -0.0929
71 W A 0.0603
72 V A 0.2885
73 G A -0.3593
74 E A -2.0622
75 R A -1.5969
76 C A 0.0000
77 Q A -0.5740
78 L A -0.1863
79 E A -1.7811
80 D A -0.5903
81 P A -0.0728
82 C A -0.0782
83 H A -1.0094
84 S A -0.4769
85 G A -0.5155
86 P A -0.1311
87 C A -0.0048
88 A A -0.0033
89 G A -0.5710
90 R A -1.9000
91 G A -0.0486
92 V A 1.7832
93 C A 0.2841
94 Q A -0.9434
95 S A -0.1862
96 S A -0.1046
97 V A 0.8940
98 V A 1.8953
99 A A 0.2985
100 G A -0.4646
101 T A -0.1329
102 A A 0.0000
103 R A -1.7224
104 F A 0.2502
105 S A -0.0768
106 C A -0.2868
107 R A -1.7871
108 C A -0.1392
109 P A -0.3491
110 R A -1.8653
111 G A -0.2452
112 F A 0.8802
113 R A -0.1660
114 G A -0.3063
115 P A -0.4114
116 D A -0.7047
117 C A 0.0000
118 S A -0.0245
119 L A 0.9402
120 P A 0.0237
121 D A -0.1911
122 P A -0.0826
123 C A 0.2485
124 L A 0.9847
125 S A -0.0666
126 S A -0.2591
127 P A -0.0696
128 C A 0.0678
129 A A -0.1236
130 H A -0.9026
131 G A -0.6125
132 A A -0.3993
133 R A -1.8053
134 C A -0.1728
135 S A -0.0699
136 V A 0.5707
137 G A 0.0000
138 P A -0.5783
139 D A -1.8496
140 G A -0.7329
141 R A -1.7928
142 F A 0.2236
143 L A 0.8406
144 C A 0.2196
145 S A -0.1628
146 C A 0.1253
147 P A -0.0837
148 P A -0.2762
149 G A -0.0817
150 Y A -0.1733
151 Q A -1.2596
152 G A -1.0024
153 R A -1.7750
154 S A -0.3441
155 C A 0.0000
156 R A -1.8837
157 S A -0.6844
158 D A -0.6433
159 V A 0.1627
160 D A -0.3559
161 E A -0.7726
162 C A -0.3428
163 R A -1.4993
164 V A 1.3845
165 G A -0.2911
166 E A -1.8796
167 P A -0.3709
168 C A 0.0000
169 R A -1.6847
170 H A -1.2179
171 G A -0.6308
172 G A -0.1279
173 T A -0.0586
174 C A 0.2454
175 L A 0.5778
176 N A -0.3752
177 T A -0.1095
178 P A -0.2697
179 G A -0.1563
180 S A -0.0906
181 F A -0.0511
182 R A -1.7534
183 C A -0.4593
184 Q A -1.1407
185 C A -0.0292
186 P A -0.0535
187 A A 0.0243
188 G A 0.0023
189 Y A 0.3397
190 T A 0.0183
191 G A -0.2216
192 P A -0.2062
193 L A 0.4026
194 C A 0.0000
195 E A -0.9332
196 N A -1.3666
197 P A -0.4106
198 A A 0.3215
199 V A 1.6802
200 P A 0.3097
201 C A 0.1402
202 A A -0.0045
203 P A -0.2638
204 S A -0.1586
205 P A -0.0536
206 C A -0.3056
207 R A -1.9818
208 N A -1.2428
209 G A -0.6223
210 G A -0.1155
211 T A -0.0609
212 C A -0.2476
213 R A -2.0525
214 Q A -1.5215
215 S A -0.4087
216 G A -0.5280
217 D A -1.6294
218 L A 0.7206
219 T A 0.1927
220 Y A -0.1115
221 D A -1.7078
222 C A 0.0000
223 A A 0.0725
224 C A 0.3849
225 L A 0.8767
226 P A -0.1044
227 G A -0.2967
228 F A -0.1631
229 E A -1.8334
230 G A -0.8635
231 Q A -1.2990
232 N A -0.4523
233 C A 0.0000
234 E A -0.8966
235 V A 0.9103
236 N A -0.0354
237 V A 0.3252
238 D A -1.8084
239 D A -1.1643
240 C A -0.1080
241 P A -0.3244
242 G A -0.5991
243 H A -0.8969
244 R A -1.9309
245 C A 0.0000
246 L A 1.1849
247 N A -0.6424
248 G A -0.6191
249 G A -0.1168
250 T A -0.0620
251 C A 0.2517
252 V A 0.7731
253 D A -0.4974
254 G A 0.1271
255 V A 1.5240
256 N A -0.9709
257 T A -0.2416
258 Y A -0.1248
259 N A -1.2186
260 C A -0.3669
261 Q A -1.1462
262 C A -0.0387
263 P A -0.0680
264 P A -0.3870
265 E A -0.7042
266 W A -0.0186
267 T A -0.0594
268 G A -0.5273
269 Q A -1.2039
270 F A 0.0608
271 C A 0.0000
272 T A -0.4035
273 E A -1.9043
274 D A -0.6721
275 V A 0.0293
276 D A -0.5187
277 E A -0.2519
278 C A -0.1700
279 Q A -0.8971
280 L A 1.0770
281 Q A -0.9629
282 P A -0.7006
283 N A -1.3177
284 A A -0.2227
285 C A 0.0000
286 H A -1.0996
287 N A -1.0574
288 G A -0.6211
289 G A -0.1283
290 T A -0.0476
291 C A 0.4675
292 F A 1.8063
293 N A -0.3175
294 T A 0.0863
295 L A 1.5088
296 G A 0.0432
297 G A -0.1570
298 H A -0.4433
299 S A -0.2362
300 C A 0.3855
301 V A 1.8223
302 C A 0.6711
303 V A 0.6972
304 N A -1.1093
305 G A 0.0000
306 W A 0.1234
307 T A -0.0348
308 G A -0.5471
309 E A -1.8729
310 S A -0.4088
311 C A 0.0000
312 S A -0.4314
313 Q A -1.3066
314 N A -0.4133
315 I A 0.4944
316 D A -1.7075
317 D A -0.7570
318 C A 0.0552
319 A A 0.0684
320 T A -0.0587
321 A A 0.3368
322 V A 1.7952
323 C A 0.6667
324 F A 0.8789
325 H A -0.8854
326 G A -0.6440
327 A A -0.0609
328 T A -0.0387
329 C A 0.0859
330 H A -0.4159
331 D A -0.7493
332 R A -1.6430
333 V A 0.9813
334 A A 0.2561
335 S A -0.1738
336 F A 0.2795
337 Y A 1.1292
338 C A 0.0000
339 A A 0.0754
340 C A 0.2625
341 P A 0.1476
342 M A 1.0154
343 G A -0.0677
344 K A -0.8919
345 T A -0.1305
346 G A 0.2102
347 L A 1.5970
348 L A 0.6258
349 C A 0.0000
350 H A -0.4034
351 L A -0.1744
352 D A -1.8878
353 D A -0.7638
354 A A -0.0381
355 C A 0.4083
356 V A 1.7500
357 S A -0.1177
358 N A -1.3336
359 P A -0.3406
360 C A 0.0074
361 H A -0.6054
362 E A -2.1961
363 D A -2.1172
364 A A 0.0758
365 I A 2.0345
366 C A 0.2014
367 D A -1.7627
368 T A 0.0000
369 N A 0.0000
370 P A 0.2390
371 V A 1.4761
372 N A -0.9796
373 G A -0.6637
374 R A -1.8627
375 A A 0.0000
376 I A 0.7636
377 C A 0.2288
378 T A 0.1892
379 C A 0.1742
380 P A -0.0363
381 P A -0.2680
382 G A -0.0331
383 F A 0.2197
384 T A -0.1292
385 G A -0.3367
386 G A -0.5073
387 A A -0.0471
388 C A 0.0000
389 D A -2.0064
390 Q A -1.5774
391 D A -0.4343
392 V A -0.0166
393 D A -1.1698
394 E A -0.4890
395 C A 0.0845
396 S A 0.1843
397 I A 1.8881
398 G A -0.0847
399 A A -0.2400
400 N A -1.1540
401 P A -0.2395
402 C A 0.0000
403 E A -1.8662
404 H A -0.3564
405 L A 1.4924
406 G A 0.0000
407 R A -1.9710
408 C A 0.0000
409 V A 0.5604
410 N A -0.2083
411 T A -0.2606
412 Q A -1.2179
413 G A -0.3327
414 S A -0.0621
415 F A 0.6950
416 L A 1.3094
417 C A 0.0701
418 Q A -1.3381
419 C A -0.0504
420 G A -0.5905
421 R A -1.8980
422 G A 0.0000
423 Y A 0.0367
424 T A 0.0026
425 G A -0.1416
426 P A -0.3982
427 R A -1.3348
428 C A 0.0000
429 E A -0.3628
430 T A -0.2986
431 D A -1.0289
432 V A 0.3056
433 N A -0.7735
434 E A -0.4248
435 C A 0.3476
436 L A 1.5312
437 S A -0.0149
438 G A -0.5107
439 P A -0.1001
440 C A -0.1712
441 R A -1.9478
442 N A -1.2050
443 Q A -1.3139
444 A A -0.1992
445 T A -0.0421
446 C A 0.2421
447 L A 0.4002
448 D A -1.0441
449 R A -1.7649
450 I A 1.2720
451 G A 0.0000
452 Q A -1.2907
453 F A 0.1436
454 T A 0.0740
455 C A 0.3356
456 I A 1.4154
457 C A 0.5636
458 M A 0.5512
459 A A 0.1419
460 G A -0.2258
461 F A -0.0384
462 T A -0.0467
463 G A -0.2537
464 T A 0.0103
465 Y A 0.6801
466 C A 0.0000
467 E A -0.5702
468 V A 0.6622
469 D A -1.4082
470 I A 0.1712
471 D A -1.5716
472 E A -1.3593
473 C A -0.3222
474 Q A -1.2202
475 S A -0.4685
476 S A -0.2596
477 P A -0.0728
478 C A 0.2611
479 V A 0.9316
480 N A -0.7975
481 G A -0.6412
482 G A 0.2010
483 V A 1.7869
484 C A 0.2209
485 K A -1.6975
486 D A -2.2940
487 R A -1.7723
488 V A 1.2016
489 N A -0.9771
490 G A -0.2116
491 F A 0.2589
492 S A 0.1069
493 C A 0.0991
494 T A 0.0038
495 C A 0.1351
496 P A -0.1065
497 S A -0.2414
498 G A -0.3014
499 F A 0.0099
500 S A 0.0342
501 G A -0.3993
502 S A -0.2776
503 T A -0.0425
504 C A 0.0000
505 Q A -0.9521
506 L A 0.8006
507 D A -1.3997
508 V A -0.0976
509 D A -1.8381
510 E A -1.1473
511 C A -0.0422
512 A A 0.0379
513 S A -0.2150
514 T A -0.1138
515 P A -0.0391
516 C A 0.0000
517 R A -1.6164
518 N A -1.4056
519 G A -0.6545
520 A A -0.3549
521 K A -1.6988
522 C A 0.0000
523 V A 0.2096
524 D A -1.8195
525 Q A -1.4383
526 P A -0.7697
527 D A -1.8653
528 G A -0.3467
529 Y A -0.0206
530 E A -1.3781
531 C A -0.5371
532 R A -1.7825
533 C A -0.0859
534 A A -0.2610
535 E A -1.8269
536 G A -0.3418
537 F A -0.1074
538 E A -1.7389
539 G A -0.7774
540 T A -0.0821
541 L A 0.3845
542 C A 0.0000
543 D A -2.1002
544 R A -2.0827
545 N A -0.3648
546 V A 0.6543
547 D A -0.9345
548 D A -0.9039
549 C A -0.2655
550 S A -0.4432
551 P A -0.6332
552 D A -1.8539
553 P A -0.3876
554 C A 0.0000
555 H A -1.0722
556 H A -0.6566
557 G A -0.5029
558 R A -1.8622
559 C A 0.0000
560 V A 1.6032
561 D A -0.5240
562 G A 0.0332
563 I A 1.9923
564 A A 0.3628
565 S A -0.0847
566 F A 0.2860
567 S A -0.1093
568 C A 0.0633
569 A A -0.0801
570 C A 0.2410
571 A A 0.0116
572 P A -0.2502
573 G A 0.0000
574 Y A 0.0702
575 T A -0.0469
576 G A -0.2574
577 T A -0.0892
578 C A 0.1239
579 C A 0.0000
580 E A -1.3054
581 S A -0.5374
582 Q A -1.0453
583 V A 0.3626
584 D A -0.7309
585 E A -0.4390
586 C A -0.2906
587 R A -1.8654
588 S A -0.7633
589 Q A -1.2418
590 P A -0.2314
591 C A -0.3053
592 R A -1.9143
593 H A -0.8754
594 G A -0.5567
595 G A -0.4109
596 K A -1.6971
597 C A -0.1635
598 L A 0.0387
599 D A -1.5329
600 L A 0.6369
601 V A 1.5984
602 D A -1.7798
603 K A -1.8680
604 Y A 0.0841
605 L A 1.3137
606 C A -0.0329
607 R A -1.7836
608 C A -0.0915
609 P A -0.0879
610 S A -0.2483
611 G A -0.3198
612 T A 0.0000
613 T A -0.0773
614 G A 0.0829
615 V A 1.6882
616 N A 0.0946
617 C A 0.0000
618 E A -0.6358
619 V A 0.8387
620 N A -0.1646
621 I A 1.1897
622 D A -1.6677
623 D A -1.3154
624 C A -0.0950
625 A A 0.0331
626 S A -0.4274
627 N A -1.3199
628 P A -0.2688
629 C A 0.1430
630 T A 0.1460
631 F A 1.0868
632 G A 0.3761
633 V A 1.7821
634 C A 0.1212
635 R A -1.9189
636 D A -0.8084
637 G A -0.2732
638 I A 0.3252
639 N A -1.5162
640 R A -1.9929
641 Y A -0.2368
642 D A -1.6963
643 C A 0.0000
644 V A 0.5285
645 C A 0.0505
646 Q A -1.0149
647 P A -0.4371
648 G A 0.0000
649 F A -0.0660
650 T A 0.1449
651 G A -0.2109
652 P A -0.1498
653 L A 0.7056
654 C A 0.0000
655 N A -0.8848
656 V A 1.1903
657 E A -1.2720
658 I A 0.5761
659 N A -1.1178
660 E A -0.5134
661 C A 0.0935
662 A A 0.0456
663 S A -0.2408
664 S A -0.2618
665 P A -0.0805
666 C A 0.0472
667 G A -0.4932
668 E A -1.9380
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1950 N A -0.3493
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1952 V A 0.0871
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1954 A A 0.0000
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1956 L A 0.6362
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1967 M A 0.0476
1968 Q A 0.0000
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1971 K A -0.9573
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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
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1980 A A 0.0000
1981 R A -0.8674
1982 E A -1.9475
1983 G A -0.4941
1984 S A 0.0000
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1986 E A -1.3255
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1989 K A -1.3259
1990 L A -0.0151
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8322
1994 H A -0.2139
1995 F A 1.8988
1996 A A 0.0000
1997 N A -0.5196
1998 R A -0.8299
1999 E A -1.8453
2000 I A -0.0518
2001 T A -0.1590
2002 D A 0.0000
2003 H A -0.7137
2004 L A 1.0504
2005 D A -1.5902
2006 R A -0.6933
2007 L A 0.2214
2008 P A 0.0000
2009 R A -1.2124
2010 D A -1.2581
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2502
2015 R A -1.5462
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2017 H A -0.1408
2018 Q A -1.3810
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2264 S A -0.2582
2265 D A -1.6115
2266 W A 0.8208
2267 S A -0.3258
2268 E A -1.8981
2269 S A -0.5636
2270 T A -0.1552
2271 P A -0.3065
2272 S A -0.3049
2273 P A -0.2823
2274 A A -0.0010
2275 T A -0.0497
2276 A A 0.0329
2277 T A -0.1453
2278 G A -0.4687
2279 A A 0.1671
2280 M A 1.0752
2281 A A 0.2461
2282 T A -0.0738
2283 T A -0.0982
2284 T A -0.1705
2285 G A -0.4687
2286 A A 0.2729
2287 L A 1.5127
2288 P A 0.0373
2289 A A -0.2138
2290 Q A -1.2340
2291 P A -0.1880
2292 L A 1.4541
2293 P A 0.3131
2294 L A 1.4602
2295 S A 0.4137
2296 V A 1.6861
2297 P A 0.0301
2298 S A -0.3075
2299 S A 0.0264
2300 L A 1.5196
2301 A A 0.1115
2302 Q A -1.1750
2303 A A -0.4592
2304 Q A -1.1979
2305 T A -0.5186
2306 Q A -0.9166
2307 L A 1.2335
2308 G A -0.2318
2309 P A -0.5751
2310 Q A -1.2943
2311 P A -0.8354
2312 E A -1.5097
2313 V A 1.3904
2314 T A 0.2026
2315 P A -0.5909
2316 K A -2.1250
2317 R A -2.4437
2318 Q A -1.2522
2319 V A 1.8395
2320 L A 1.8959
2321 A A 0.3944
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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 4.6672 View CSV PDB
4.5 -0.0352 4.6672 View CSV PDB
5.0 -0.0747 4.6672 View CSV PDB
5.5 -0.1153 4.6672 View CSV PDB
6.0 -0.1521 4.6672 View CSV PDB
6.5 -0.1816 4.6672 View CSV PDB
7.0 -0.2041 4.6672 View CSV PDB
7.5 -0.2217 4.6672 View CSV PDB
8.0 -0.2363 4.6672 View CSV PDB
8.5 -0.2472 4.6672 View CSV PDB
9.0 -0.2532 4.6672 View CSV PDB