Project name: R54C_5

Status: done

Started: 2026-05-21 00:23:58
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGCCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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             (00:00:00)
[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.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:40:48)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/3880fca688cc55a/tmp/folded.pdb                (00:40:48)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:09)
Show buried residues

Minimal score value
-2.6311
Maximal score value
2.2618
Average score
-0.2807
Total score value
-651.5524

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 0.9670
2 G A -0.3185
3 P A -0.4309
4 G A -0.5044
5 A A -0.4693
6 R A -1.9229
7 G A -1.1796
8 R A -2.3642
9 R A -2.6058
10 R A -2.5080
11 R A -2.6188
12 R A -2.6311
13 R A -2.2380
14 P A -0.4047
15 M A 0.9606
16 S A -0.0309
17 P A -0.3500
18 P A -0.3606
19 P A -0.3538
20 P A -0.3543
21 P A -0.3572
22 P A -0.3512
23 P A 0.0260
24 V A 1.3935
25 R A -1.5141
26 A A 0.0085
27 L A 1.5124
28 P A 0.3107
29 L A 1.7859
30 L A 2.1184
31 L A 2.1212
32 L A 2.1215
33 L A 1.8442
34 A A 0.2602
35 G A -0.5016
36 P A -0.4262
37 G A -0.5031
38 A A -0.0167
39 A A 0.0772
40 A A 0.0195
41 P A -0.2185
42 P A -0.1790
43 C A 0.4693
44 L A 1.2672
45 D A -1.5964
46 G A -0.8271
47 S A -0.2923
48 P A -0.0476
49 C A -0.0621
50 A A -0.1301
51 N A -1.0060
52 G A -0.6325
53 G A 0.0000
54 C A 0.7519
55 C A 0.2529
56 T A -0.2070
57 Q A -0.9920
58 L A 0.4855
59 P A -0.1608
60 S A -0.5846
61 R A -2.2156
62 E A -2.1569
63 A A -0.4659
64 A A 0.0270
65 C A 0.3869
66 L A 1.6079
67 C A 0.5145
68 P A -0.0714
69 P A -0.2814
70 G A -0.0832
71 W A 0.1478
72 V A 0.3029
73 G A -0.3592
74 E A -2.0236
75 R A -1.3826
76 C A 0.0000
77 Q A -0.5489
78 L A -0.2007
79 E A -1.7748
80 D A -0.5793
81 P A -0.0708
82 C A -0.0777
83 H A -1.0093
84 S A -0.4763
85 G A -0.5159
86 P A -0.1334
87 C A -0.0016
88 A A -0.0419
89 G A -0.7846
90 R A -1.9374
91 G A -0.0652
92 V A 1.6853
93 C A 0.2757
94 Q A -0.9133
95 S A -0.1856
96 S A -0.1050
97 V A 0.8763
98 V A 1.8653
99 A A 0.2934
100 G A -0.4645
101 T A -0.1324
102 A A 0.0000
103 R A -1.5620
104 F A 0.2591
105 S A -0.0814
106 C A -0.2847
107 R A -1.7860
108 C A -0.1305
109 P A -0.3299
110 R A -1.8500
111 G A 0.0000
112 F A 0.8809
113 R A -0.2624
114 G A -0.2639
115 P A -0.3982
116 D A -0.6948
117 C A 0.0000
118 S A -0.0669
119 L A 0.6554
120 P A -0.0300
121 D A -0.2759
122 P A -0.0571
123 C A 0.3000
124 L A 1.2512
125 S A -0.0176
126 S A -0.2589
127 P A -0.0686
128 C A 0.0733
129 A A -0.1230
130 H A -0.9107
131 G A -0.6139
132 A A -0.3988
133 R A -1.8290
134 C A -0.3008
135 S A -0.0168
136 V A 0.7290
137 G A 0.0364
138 P A -0.5879
139 D A -1.8480
140 G A -0.6816
141 R A -1.5695
142 F A 0.3663
143 L A 1.6008
144 C A 0.0000
145 S A -0.1788
146 C A 0.1351
147 P A -0.0806
148 P A -0.2794
149 G A -0.1012
150 Y A -0.1576
151 Q A -1.2604
152 G A -1.0324
153 R A -1.9310
154 S A 0.0000
155 C A 0.0000
156 R A -1.8837
157 S A -0.6504
158 D A -0.4559
159 V A 0.2204
160 D A -0.5334
161 E A -0.9269
162 C A -0.3567
163 R A -1.4979
164 V A 1.3983
165 G A -0.2152
166 E A -1.8693
167 P A -0.3898
168 C A 0.0000
169 R A -1.9975
170 H A -1.2619
171 G A -0.6285
172 G A -0.1272
173 T A -0.0585
174 C A 0.2419
175 L A 0.5611
176 N A -0.3438
177 T A -0.1046
178 P A -0.2698
179 G A -0.1599
180 S A -0.0984
181 F A -0.0472
182 R A -1.7538
183 C A -0.4580
184 Q A -1.1399
185 C A -0.0251
186 P A -0.0534
187 A A 0.0182
188 G A -0.0312
189 Y A 0.3324
190 T A 0.0164
191 G A -0.2317
192 P A -0.2096
193 L A 0.3933
194 C A 0.0000
195 E A -1.0252
196 N A -1.3195
197 P A -0.3995
198 A A 0.2651
199 V A 1.3920
200 P A 0.2527
201 C A 0.1282
202 A A -0.0127
203 P A -0.2693
204 S A -0.1840
205 P A -0.0547
206 C A -0.2280
207 R A -1.6516
208 N A -1.2294
209 G A -0.6308
210 G A -0.1186
211 T A -0.0605
212 C A -0.2468
213 R A -2.0512
214 Q A -1.5387
215 S A -0.4205
216 G A -0.5215
217 D A -1.5938
218 L A 0.9110
219 T A 0.2056
220 Y A -0.2334
221 D A -1.7309
222 C A 0.0000
223 A A 0.0641
224 C A 0.3524
225 L A 0.8402
226 P A -0.1100
227 G A -0.2996
228 F A -0.2796
229 E A -1.8203
230 G A -0.7658
231 Q A -1.2589
232 N A -0.3290
233 C A 0.0000
234 E A -1.4988
235 V A 1.2031
236 N A -0.5848
237 V A 0.3780
238 D A -1.7724
239 D A -1.1554
240 C A -0.1078
241 P A -0.3247
242 G A -0.6005
243 H A -0.9029
244 R A -1.9320
245 C A 0.0000
246 L A 1.2689
247 N A -0.6346
248 G A -0.6205
249 G A -0.1206
250 T A -0.0612
251 C A 0.3110
252 V A 1.1082
253 D A -0.2881
254 G A 0.1434
255 V A 1.5221
256 N A -0.9710
257 T A -0.2448
258 Y A -0.1263
259 N A -1.2221
260 C A -0.3680
261 Q A -1.1526
262 C A -0.0745
263 P A -0.0747
264 P A -0.3685
265 E A -0.6019
266 W A 0.0058
267 T A -0.0523
268 G A -0.5177
269 Q A -1.2020
270 F A 0.0624
271 C A 0.0000
272 T A -0.4053
273 E A -1.9008
274 D A -0.6870
275 V A 0.0000
276 D A -0.5021
277 E A -0.2108
278 C A -0.1612
279 Q A -0.8966
280 L A 1.0788
281 Q A -0.9616
282 P A -0.6998
283 N A -1.3179
284 A A -0.2218
285 C A 0.0000
286 H A -0.8894
287 N A -0.8054
288 G A -0.3302
289 G A -0.0790
290 T A -0.0429
291 C A 0.4632
292 F A 1.7469
293 N A -0.2985
294 T A 0.0746
295 L A 1.5061
296 G A 0.0482
297 G A -0.1789
298 H A -0.4854
299 S A -0.2146
300 C A 0.3947
301 V A 1.8218
302 C A 0.6371
303 V A 0.5194
304 N A -1.1409
305 G A 0.0000
306 W A 0.0862
307 T A -0.0438
308 G A -0.5655
309 E A -1.8723
310 S A -0.3859
311 C A 0.0000
312 S A -0.4319
313 Q A -1.3266
314 N A -0.5196
315 I A 0.4985
316 D A -1.6635
317 D A -0.7348
318 C A 0.0599
319 A A 0.0688
320 T A -0.0587
321 A A 0.3377
322 V A 1.7960
323 C A 0.6840
324 F A 0.9073
325 H A -0.8803
326 G A -0.6436
327 A A -0.0606
328 T A -0.0383
329 C A 0.0873
330 H A -0.4673
331 D A -0.8152
332 R A -1.0183
333 V A 0.1038
334 A A 0.0591
335 S A -0.0619
336 F A 0.4720
337 Y A 0.8022
338 C A 0.0000
339 A A 0.0763
340 C A 0.2639
341 P A 0.1406
342 M A 1.0198
343 G A -0.0301
344 K A -0.8571
345 T A -0.1251
346 G A 0.1227
347 L A 1.1202
348 L A 0.6051
349 C A 0.0000
350 H A -0.3262
351 L A -0.1664
352 D A -1.8849
353 D A -0.7562
354 A A -0.0382
355 C A 0.4101
356 V A 1.7502
357 S A -0.1173
358 N A -1.3334
359 P A -0.3398
360 C A 0.0292
361 H A -0.4974
362 E A -2.1762
363 D A -2.1166
364 A A 0.0744
365 I A 2.0410
366 C A 0.2023
367 D A -1.7625
368 T A 0.0000
369 N A 0.0000
370 P A 0.0531
371 V A 0.4838
372 N A -1.1579
373 G A -0.5954
374 R A -1.5285
375 A A -0.1720
376 I A 0.5731
377 C A 0.1935
378 T A -0.0201
379 C A 0.1704
380 P A -0.0388
381 P A -0.2684
382 G A -0.0352
383 F A 0.2004
384 T A -0.1733
385 G A -0.4490
386 G A -0.5269
387 A A -0.0468
388 C A 0.0000
389 D A -2.0061
390 Q A -1.5802
391 D A -0.4368
392 V A -0.0043
393 D A -1.2144
394 E A -0.4914
395 C A 0.0912
396 S A 0.1363
397 I A 1.6240
398 G A -0.1332
399 A A -0.2387
400 N A -1.1480
401 P A -0.2383
402 C A 0.0000
403 E A -0.7059
404 H A -0.1720
405 L A 1.4877
406 G A 0.0000
407 R A -1.9708
408 C A 0.0000
409 V A 0.4568
410 N A -0.2133
411 T A -0.2579
412 Q A -1.2197
413 G A -0.3422
414 S A -0.0645
415 F A 0.7311
416 L A 1.3584
417 C A 0.0781
418 Q A -1.3359
419 C A -0.0370
420 G A -0.5807
421 R A -1.9055
422 G A -0.1425
423 Y A 0.0320
424 T A -0.0390
425 G A -0.2012
426 P A -0.5415
427 R A -1.5041
428 C A 0.0000
429 E A -0.6517
430 T A -0.3089
431 D A -0.8234
432 V A 0.2003
433 N A -0.8811
434 E A -0.8422
435 C A 0.2498
436 L A 1.5271
437 S A -0.0149
438 G A -0.5105
439 P A -0.0992
440 C A -0.1629
441 R A -1.9482
442 N A -1.2071
443 Q A -1.3142
444 A A -0.1985
445 T A -0.0406
446 C A 0.2686
447 L A 0.5031
448 D A -0.9550
449 R A -1.2596
450 I A 1.7588
451 G A 0.0000
452 Q A -1.2666
453 F A 0.0405
454 T A 0.0571
455 C A 0.3850
456 I A 1.6884
457 C A 0.6232
458 M A 0.5735
459 A A 0.1459
460 G A -0.2562
461 F A 0.0000
462 T A -0.0842
463 G A -0.2561
464 T A 0.0193
465 Y A 0.7319
466 C A 0.0000
467 E A -0.4855
468 V A 0.7351
469 D A -1.3339
470 I A 0.1735
471 D A -1.6808
472 E A -1.3153
473 C A -0.3103
474 Q A -1.2203
475 S A -0.4682
476 S A -0.2589
477 P A -0.0695
478 C A 0.2566
479 V A 0.9142
480 N A -0.8002
481 G A -0.6412
482 G A 0.2019
483 V A 1.7870
484 C A 0.2231
485 K A -1.6889
486 D A -2.2889
487 R A -1.8429
488 V A 1.2028
489 N A -0.9778
490 G A -0.2115
491 F A 0.4664
492 S A 0.1126
493 C A 0.1027
494 T A 0.0057
495 C A 0.1390
496 P A -0.1055
497 S A -0.2417
498 G A -0.2893
499 F A 0.0078
500 S A 0.0235
501 G A -0.4087
502 S A -0.2792
503 T A -0.0429
504 C A 0.0000
505 Q A -0.9627
506 L A 0.7458
507 D A -1.3921
508 V A 0.0090
509 D A -1.8402
510 E A -1.2681
511 C A -0.0643
512 A A 0.0380
513 S A -0.2150
514 T A -0.1145
515 P A -0.0432
516 C A 0.0000
517 R A -1.5504
518 N A -1.3515
519 G A -0.6465
520 A A -0.3537
521 K A -1.6853
522 C A -0.1314
523 V A 0.2291
524 D A -1.7854
525 Q A -1.2367
526 P A -0.7336
527 D A -1.8627
528 G A -0.3364
529 Y A -0.0210
530 E A -1.2711
531 C A -0.5058
532 R A -1.7816
533 C A -0.0820
534 A A -0.2615
535 E A -1.8270
536 G A -0.1365
537 F A -0.1400
538 E A -1.6921
539 G A -0.5780
540 T A -0.0474
541 L A 0.3784
542 C A 0.0000
543 D A -2.1227
544 R A -2.2759
545 N A -0.7572
546 V A 0.3093
547 D A -1.7233
548 D A -0.9301
549 C A -0.2572
550 S A -0.2661
551 P A -0.6328
552 D A -1.8306
553 P A -0.3617
554 C A 0.0000
555 H A -1.0703
556 H A -0.6441
557 G A -0.4926
558 R A -1.8611
559 C A 0.0000
560 V A 1.5914
561 D A -0.5221
562 G A 0.0396
563 I A 1.9887
564 A A 0.3637
565 S A -0.0627
566 F A 0.4194
567 S A -0.0841
568 C A 0.0622
569 A A -0.0801
570 C A 0.2418
571 A A 0.0115
572 P A -0.2503
573 G A 0.0000
574 Y A 0.1469
575 T A -0.0529
576 G A -0.3013
577 T A -0.2713
578 R A -0.8480
579 C A 0.0000
580 E A -1.5002
581 S A -0.6123
582 Q A -1.0524
583 V A 0.3646
584 D A -0.8713
585 E A -0.4587
586 C A -0.2803
587 R A -1.8638
588 S A -0.7661
589 Q A -1.2416
590 P A -0.2299
591 C A -0.3063
592 R A -1.9300
593 H A -0.9567
594 G A -0.5707
595 G A -0.4085
596 K A -1.6977
597 C A -0.1700
598 L A 0.0377
599 D A -1.5264
600 L A 0.6286
601 V A 1.5969
602 D A -1.7803
603 K A -1.8565
604 Y A 0.1498
605 L A 1.2531
606 C A -0.0489
607 R A -1.7815
608 C A -0.0807
609 P A -0.0749
610 S A -0.2467
611 G A -0.3118
612 T A 0.0000
613 T A 0.0378
614 G A 0.0810
615 V A 1.6920
616 N A 0.1169
617 C A 0.0000
618 E A -0.5448
619 V A 0.8929
620 N A -0.0932
621 I A 1.3020
622 D A -1.6269
623 D A -1.2067
624 C A -0.0760
625 A A 0.0331
626 S A -0.4284
627 N A -1.3208
628 P A -0.2731
629 C A 0.1294
630 T A 0.1068
631 F A 0.8581
632 G A 0.2951
633 V A 1.5757
634 C A 0.0697
635 R A -1.9147
636 D A -0.7587
637 G A -0.1901
638 I A 0.8132
639 N A -1.4234
640 R A -1.9877
641 Y A -0.1550
642 D A -1.4462
643 C A -0.0453
644 V A 0.8143
645 C A 0.0962
646 Q A -1.0014
647 P A -0.5642
648 G A 0.0000
649 F A -0.0771
650 T A 0.1479
651 G A -0.2121
652 P A -0.1666
653 L A 0.6111
654 C A 0.0000
655 N A -0.9183
656 V A 1.1753
657 E A -1.2795
658 I A 0.5338
659 N A -1.1224
660 E A -0.5043
661 C A 0.1065
662 A A 0.0478
663 S A -0.2409
664 S A -0.2619
665 P A -0.0816
666 C A 0.0400
667 G A -0.4972
668 E A -1.9381
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1950 N A -0.4034
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1953 E A -1.7272
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5884
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1967 M A -0.0767
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1969 D A 0.0000
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1971 K A -1.4158
1972 E A -1.6228
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 -0.4141
1982 E A -0.3968
1983 G A -0.2197
1984 S A 0.0000
1985 Y A 0.1363
1986 E A -1.1976
1987 A A 0.0000
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1989 K A -1.0365
1990 L A -0.1640
1991 L A 0.0000
1992 L A 0.0658
1993 D A -1.7533
1994 H A -0.4014
1995 F A 0.7737
1996 A A 0.0000
1997 N A -0.5256
1998 R A -1.0239
1999 E A -1.8740
2000 I A -0.0100
2001 T A -0.1508
2002 D A 0.0000
2003 H A -0.6161
2004 L A 1.0667
2005 D A -1.5906
2006 R A -0.6894
2007 L A 0.2679
2008 P A 0.0000
2009 R A -0.9379
2010 D A -1.1769
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2420
2015 R A -1.3224
2016 L A 1.1739
2017 H A -0.0849
2018 Q A -1.1834
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2266 W A 0.8051
2267 S A -0.3201
2268 E A -1.9135
2269 S A -0.6836
2270 T A -0.1648
2271 P A -0.3115
2272 S A -0.3115
2273 P A -0.2811
2274 A A -0.0186
2275 T A -0.0480
2276 A A 0.0312
2277 T A -0.1628
2278 G A -0.4679
2279 A A 0.1329
2280 M A 1.0775
2281 A A 0.2930
2282 T A -0.0769
2283 T A -0.1003
2284 T A -0.2000
2285 G A -0.4736
2286 A A 0.3215
2287 L A 1.5133
2288 P A 0.0444
2289 A A -0.2231
2290 Q A -1.2348
2291 P A -0.1903
2292 L A 1.4537
2293 P A 0.3108
2294 L A 1.4604
2295 S A 0.4111
2296 V A 1.6859
2297 P A 0.0309
2298 S A -0.3072
2299 S A 0.0420
2300 L A 1.5182
2301 A A 0.1160
2302 Q A -1.1752
2303 A A -0.4566
2304 Q A -1.1976
2305 T A -0.5159
2306 Q A -0.9129
2307 L A 1.2310
2308 G A -0.2342
2309 P A -0.5781
2310 Q A -1.2947
2311 P A -0.8394
2312 E A -1.5130
2313 V A 1.3933
2314 T A 0.2027
2315 P A -0.6547
2316 K A -2.0835
2317 R A -2.4140
2318 Q A -1.2843
2319 V A 1.8341
2320 L A 1.8873
2321 A A 0.4359
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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 -0.0005 4.9455 View CSV PDB
4.5 -0.0328 4.9455 View CSV PDB
5.0 -0.0722 4.9455 View CSV PDB
5.5 -0.1128 4.9455 View CSV PDB
6.0 -0.1495 4.9455 View CSV PDB
6.5 -0.1791 4.9455 View CSV PDB
7.0 -0.2016 4.9455 View CSV PDB
7.5 -0.2194 4.9455 View CSV PDB
8.0 -0.234 4.9455 View CSV PDB
8.5 -0.2452 4.9455 View CSV PDB
9.0 -0.2516 4.9455 View CSV PDB