Project name: C278Y_4D_5

Status: done

Started: 2026-06-01 07:15:34
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDEYQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:43)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:21:39)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/f154aa23dfc41d6/tmp/folded.pdb                (00:21:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:47:49)
Show buried residues

Minimal score value
-2.6032
Maximal score value
2.6102
Average score
-0.277
Total score value
-643.025

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 0.9686
2 G A -0.3225
3 P A -0.4384
4 G A -0.5063
5 A A -0.3894
6 R A -1.9242
7 G A -1.1718
8 R A -2.2642
9 R A -2.6032
10 R A -2.5906
11 R A -2.5869
12 R A -2.5945
13 R A -2.2178
14 P A -0.3906
15 M A 0.9674
16 S A -0.0670
17 P A -0.3385
18 P A -0.3462
19 P A -0.3459
20 P A -0.3465
21 P A -0.3465
22 P A -0.3142
23 P A -0.0472
24 V A 1.5266
25 R A -1.5162
26 A A 0.0026
27 L A 1.5127
28 P A 0.3028
29 L A 1.7806
30 L A 2.1071
31 L A 2.1112
32 L A 2.1072
33 L A 1.8346
34 A A 0.2567
35 G A -0.5011
36 P A -0.4241
37 G A -0.5024
38 A A -0.0176
39 A A 0.0800
40 A A 0.0541
41 P A -0.0971
42 P A -0.1214
43 C A 0.3859
44 L A 1.2465
45 D A -1.5930
46 G A -0.8308
47 S A -0.3112
48 P A -0.0921
49 C A -0.1486
50 A A -0.1228
51 N A -0.9645
52 G A -0.6268
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1211
57 Q A -0.4179
58 L A 0.5898
59 P A -0.1600
60 S A -0.5856
61 R A -2.2139
62 E A -2.1522
63 A A -0.3778
64 A A 0.0304
65 C A 0.3762
66 L A 1.6076
67 C A 0.5107
68 P A -0.0691
69 P A -0.2777
70 G A -0.0810
71 W A 0.0690
72 V A 0.2874
73 G A -0.3668
74 E A -2.1356
75 R A -1.9959
76 C A 0.0000
77 Q A -0.4444
78 L A -0.1763
79 E A -1.7852
80 D A -0.5852
81 P A -0.0718
82 C A -0.0774
83 H A -1.0087
84 S A -0.4762
85 G A -0.5155
86 P A -0.1316
87 C A -0.0127
88 A A 0.0088
89 G A -0.4993
90 R A -1.8865
91 G A -0.0435
92 V A 1.7838
93 C A 0.3735
94 Q A -0.4579
95 S A -0.0815
96 S A -0.0692
97 V A 1.0379
98 V A 1.8858
99 A A 0.2923
100 G A -0.4646
101 T A -0.1330
102 A A 0.0000
103 R A -1.6990
104 F A 0.3816
105 S A -0.0525
106 C A -0.2799
107 R A -1.7837
108 C A -0.1254
109 P A -0.3506
110 R A -1.8634
111 G A -0.2655
112 F A 0.7235
113 R A -0.2048
114 G A -0.2902
115 P A -0.4201
116 D A -0.7706
117 C A 0.0000
118 S A -0.0822
119 L A 0.6310
120 P A -0.0643
121 D A -0.3365
122 P A -0.0744
123 C A 0.2983
124 L A 1.1008
125 S A -0.0480
126 S A -0.2592
127 P A -0.0703
128 C A 0.0736
129 A A -0.1261
130 H A -0.9203
131 G A -0.6163
132 A A -0.3917
133 R A -1.8030
134 C A -0.1579
135 S A -0.0491
136 V A 0.6399
137 G A 0.0226
138 P A -0.5870
139 D A -1.8441
140 G A -0.6687
141 R A -1.6150
142 F A 0.3580
143 L A 1.6167
144 C A 0.3437
145 S A -0.1533
146 C A 0.1976
147 P A -0.0709
148 P A -0.2765
149 G A -0.0752
150 Y A -0.1091
151 Q A -1.2499
152 G A -1.0170
153 R A -1.9376
154 S A -0.3764
155 C A 0.0000
156 R A -1.8746
157 S A -0.5936
158 D A -0.4199
159 V A 0.1795
160 D A -0.4993
161 E A -0.7852
162 C A -0.3243
163 R A -1.4949
164 V A 1.3866
165 G A -0.2705
166 E A -1.8783
167 P A -0.3868
168 C A 0.0000
169 R A -2.0005
170 H A -1.2787
171 G A -0.6302
172 G A -0.1235
173 T A -0.0576
174 C A 0.2416
175 L A 0.5443
176 N A -0.3875
177 T A -0.1069
178 P A -0.2692
179 G A -0.1517
180 S A -0.0763
181 F A -0.0127
182 R A -1.7473
183 C A -0.4571
184 Q A -1.1398
185 C A -0.0227
186 P A -0.0606
187 A A -0.0224
188 G A -0.2457
189 Y A 0.2967
190 T A 0.0279
191 G A -0.2212
192 P A -0.2162
193 L A 0.3478
194 C A 0.0000
195 E A -0.7293
196 N A -1.2886
197 P A -0.4023
198 A A 0.2177
199 V A 1.2421
200 P A 0.2179
201 C A 0.1190
202 A A -0.0189
203 P A -0.2675
204 S A -0.1657
205 P A -0.0639
206 C A 0.0000
207 R A -1.6890
208 N A -1.1518
209 G A -0.6146
210 G A -0.1100
211 T A -0.0606
212 C A -0.2525
213 R A -2.0423
214 Q A -1.4622
215 S A -0.3929
216 G A -0.5399
217 D A -1.5417
218 L A 1.2145
219 T A 0.2913
220 Y A -0.0274
221 D A -1.6961
222 C A 0.0000
223 A A 0.0758
224 C A 0.3972
225 L A 0.8743
226 P A -0.1061
227 G A -0.2768
228 F A -0.1730
229 E A -1.8195
230 G A -0.7757
231 Q A -1.2814
232 N A -0.4512
233 C A 0.0000
234 E A -1.1492
235 V A 0.7507
236 N A -0.0225
237 V A 0.5519
238 D A -1.7753
239 D A -1.2042
240 C A -0.1151
241 P A -0.3243
242 G A -0.6023
243 H A -0.9105
244 R A -1.9201
245 C A 0.0315
246 L A 1.2157
247 N A -0.6550
248 G A -0.6214
249 G A -0.1195
250 T A -0.1828
251 C A 0.2852
252 V A 0.9695
253 D A -0.5095
254 G A 0.1060
255 V A 1.5218
256 N A -0.9710
257 T A -0.2525
258 Y A -0.1670
259 N A -1.2252
260 C A -0.3713
261 Q A -1.1629
262 C A -0.0880
263 P A -0.0714
264 P A -0.3732
265 E A -0.6143
266 W A 0.0078
267 T A -0.2431
268 G A -0.4970
269 Q A -1.1823
270 F A 0.1606
271 C A 0.0000
272 T A -0.4052
273 E A -1.8999
274 D A -0.6589
275 V A 0.0000
276 D A -0.6411
277 E A 0.0000
278 Y A 0.5800
279 Q A -0.7672
280 L A 1.1568
281 Q A -0.7081
282 P A -0.5513
283 N A -1.3143
284 A A -0.2207
285 C A 0.0000
286 H A -1.1335
287 N A -1.0523
288 G A -0.6165
289 G A -0.1085
290 T A -0.0273
291 C A 0.0000
292 F A 0.2380
293 N A -0.6406
294 T A 0.0684
295 L A 1.4918
296 G A 0.0080
297 G A -0.2371
298 H A -0.5630
299 S A -0.1993
300 C A 0.2060
301 V A 0.8067
302 C A 0.3861
303 V A 0.2462
304 N A -1.1898
305 G A 0.0000
306 W A 0.1130
307 T A -0.0442
308 G A -0.5787
309 E A -1.8717
310 S A -0.3696
311 C A 0.0000
312 S A -0.4329
313 Q A -1.3073
314 N A -0.4061
315 I A 0.5426
316 D A -1.7240
317 D A -0.9142
318 C A 0.0162
319 A A 0.0667
320 T A -0.0588
321 A A 0.3364
322 V A 1.7938
323 C A 0.6569
324 F A 0.8392
325 H A -0.8911
326 G A -0.6444
327 A A -0.0598
328 T A -0.0375
329 C A 0.0764
330 H A -0.3808
331 D A -0.8064
332 R A -1.6947
333 V A 0.9985
334 A A 0.2620
335 S A -0.2272
336 F A 0.4779
337 Y A 0.9197
338 C A 0.0000
339 A A 0.0759
340 C A 0.2696
341 P A 0.1589
342 M A 1.0193
343 G A -0.0400
344 K A -0.8093
345 T A -0.1231
346 G A 0.1940
347 L A 1.5948
348 L A 0.6379
349 C A 0.0000
350 H A -0.3847
351 L A -0.1983
352 D A -1.8850
353 D A -0.7788
354 A A -0.0422
355 C A 0.3154
356 V A 1.2087
357 S A -0.2154
358 N A -1.3291
359 P A -0.3159
360 C A 0.0332
361 H A -0.4641
362 E A -2.1712
363 D A -2.1179
364 A A 0.0769
365 I A 2.0464
366 C A 0.2305
367 D A -1.7572
368 T A 0.0000
369 N A -0.3832
370 P A 0.0043
371 V A 1.4945
372 N A -0.9673
373 G A -0.5998
374 R A -1.5214
375 A A -0.1432
376 I A 0.7376
377 C A 0.2243
378 T A -0.0187
379 C A 0.1852
380 P A 0.0000
381 P A -0.2651
382 G A -0.0529
383 F A 0.1552
384 T A -0.0669
385 G A -0.4667
386 G A -0.5310
387 A A -0.0516
388 C A 0.0000
389 D A -2.0089
390 Q A -1.6081
391 D A -0.5931
392 V A 0.0178
393 D A -0.8659
394 E A -0.8323
395 C A -0.0021
396 S A 0.2881
397 I A 1.9071
398 G A -0.0815
399 A A -0.2142
400 N A -1.0015
401 P A 0.0000
402 C A 0.0000
403 E A -1.7693
404 H A -0.4059
405 L A 1.4792
406 G A 0.0000
407 R A -1.8858
408 C A -0.1344
409 V A 0.5650
410 N A 0.0099
411 T A -0.2315
412 Q A -1.2163
413 G A -0.3311
414 S A -0.1086
415 F A 0.5707
416 L A 1.3244
417 C A 0.2066
418 Q A -0.7146
419 C A 0.0596
420 G A -0.5915
421 R A -1.8981
422 G A 0.0000
423 Y A -0.0995
424 T A -0.0453
425 G A -0.2101
426 P A -0.5483
427 R A -1.5272
428 C A 0.0000
429 E A -0.9761
430 T A -0.5500
431 D A -1.6256
432 V A 0.2872
433 N A -0.5553
434 E A -0.4185
435 C A 0.3180
436 L A 1.5266
437 S A -0.0154
438 G A -0.5121
439 P A -0.1078
440 C A -0.1426
441 R A -1.9446
442 N A -1.1888
443 Q A -1.3112
444 A A -0.2025
445 T A -0.0441
446 C A 0.2263
447 L A 0.3016
448 D A -1.4754
449 R A -1.6994
450 I A 1.6682
451 G A 0.0000
452 Q A -0.9035
453 F A -0.0781
454 T A 0.0159
455 C A 0.3951
456 I A 1.7526
457 C A 0.6230
458 M A 0.6363
459 A A 0.1545
460 G A -0.2566
461 F A -0.0398
462 T A -0.0433
463 G A -0.2474
464 T A 0.0497
465 Y A 0.8882
466 C A 0.0000
467 E A -0.4281
468 V A 0.6978
469 D A -1.4236
470 I A 0.0468
471 D A -1.6095
472 E A -1.1631
473 C A -0.2789
474 Q A -1.2195
475 S A -0.4700
476 S A -0.2584
477 P A -0.0657
478 C A 0.2332
479 V A 0.8336
480 N A -0.7318
481 G A -0.6265
482 G A 0.2111
483 V A 1.7885
484 C A 0.1684
485 K A -1.7543
486 D A -1.0098
487 R A -1.5977
488 V A 1.2015
489 N A -0.9756
490 G A -0.2147
491 F A 0.5361
492 S A 0.0878
493 C A 0.0972
494 T A -0.0185
495 C A 0.1400
496 P A -0.1109
497 S A -0.2439
498 G A -0.3880
499 F A 0.0081
500 S A -0.1048
501 G A -0.3244
502 S A -0.2635
503 T A -0.0420
504 C A 0.0000
505 Q A -0.9692
506 L A 0.6862
507 D A -1.4041
508 V A -0.0075
509 D A -1.8104
510 E A -1.2747
511 C A -0.0709
512 A A 0.0367
513 S A -0.2148
514 T A -0.1170
515 P A -0.0585
516 C A 0.0000
517 R A -1.9142
518 N A -0.8042
519 G A -0.5340
520 A A -0.3586
521 K A -1.6838
522 C A -0.1383
523 V A 0.1904
524 D A -1.5842
525 Q A -1.1556
526 P A -0.7288
527 D A -1.8674
528 G A -0.3341
529 Y A 0.0903
530 E A -1.1736
531 C A -0.4857
532 R A -1.7827
533 C A -0.0922
534 A A -0.2602
535 E A -1.8264
536 G A -0.3435
537 F A -0.2440
538 E A -1.6555
539 G A -0.5887
540 T A 0.0125
541 L A 0.7258
542 C A 0.0000
543 D A -2.1208
544 R A -2.4037
545 N A -1.4489
546 V A 0.2158
547 D A -1.6931
548 D A -1.0223
549 C A -0.2759
550 S A -0.4472
551 P A -0.6348
552 D A -1.8489
553 P A -0.3495
554 C A 0.0000
555 H A -1.0688
556 H A -0.6393
557 G A -0.5156
558 R A -1.8520
559 C A 0.0480
560 V A 1.2857
561 D A -0.8799
562 G A -0.0722
563 I A 1.9821
564 A A 0.3548
565 S A -0.0659
566 F A 0.4447
567 S A -0.0725
568 C A 0.0837
569 A A 0.1218
570 C A 0.2877
571 A A 0.0311
572 P A -0.2620
573 G A -0.2777
574 Y A 0.0565
575 T A -0.0548
576 G A -0.2820
577 T A -0.2909
578 R A -0.9791
579 C A 0.0000
580 E A -1.2671
581 S A -0.5402
582 Q A -1.0227
583 V A 0.4059
584 D A -1.3613
585 E A -0.6552
586 C A 0.0000
587 R A -1.8837
588 S A -0.7697
589 Q A -1.2429
590 P A -0.2551
591 C A 0.0000
592 R A -1.9228
593 H A -0.8498
594 G A -0.5516
595 G A -0.4151
596 K A -1.7094
597 C A 0.0000
598 L A -0.0166
599 D A -1.5776
600 L A 0.5318
601 V A 1.5459
602 D A -1.7814
603 K A -1.9370
604 Y A 0.1854
605 L A 1.3070
606 C A -0.0331
607 R A -1.7839
608 C A -0.1100
609 P A -0.0820
610 S A -0.2431
611 G A -0.3231
612 T A 0.0000
613 T A -0.0936
614 G A 0.0980
615 V A 1.6864
616 N A 0.0703
617 C A 0.0000
618 E A -0.3869
619 V A 0.9515
620 N A -0.3975
621 I A 0.8553
622 D A -1.6943
623 D A -1.1322
624 C A -0.0561
625 A A 0.0358
626 S A -0.4302
627 N A -1.3203
628 P A -0.2636
629 C A 0.1220
630 T A 0.1333
631 F A 1.0093
632 G A 0.1759
633 V A 1.0770
634 C A -0.0520
635 R A -1.9621
636 D A -1.0272
637 G A -0.2915
638 I A 0.8209
639 N A -1.4304
640 R A -2.0236
641 Y A -0.3588
642 D A -1.6972
643 C A 0.0580
644 V A 1.5787
645 C A 0.1927
646 Q A -1.2279
647 P A -0.6510
648 G A 0.0000
649 F A -0.0203
650 T A -0.0131
651 G A -0.1969
652 P A -0.1728
653 L A 0.5654
654 C A 0.0000
655 N A -0.6940
656 V A 0.6807
657 E A -1.3940
658 I A 0.3362
659 N A -1.1486
660 E A -0.4867
661 C A 0.0628
662 A A 0.0375
663 S A -0.2411
664 S A -0.2603
665 P A -0.0694
666 C A 0.1348
667 G A -0.3476
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1953 E A -1.7280
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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 -0.5373
1982 E A -0.4265
1983 G A -0.2178
1984 S A 0.0000
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1986 E A -1.5518
1987 A A 0.0000
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1990 L A -0.1677
1991 L A 0.0000
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1993 D A -1.7717
1994 H A -0.1774
1995 F A 1.9254
1996 A A 0.0000
1997 N A -0.4333
1998 R A -0.7462
1999 E A -1.3081
2000 I A 0.0785
2001 T A -0.0771
2002 D A 0.0000
2003 H A -0.7124
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2006 R A -0.4714
2007 L A 0.3697
2008 P A 0.0000
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2010 D A -0.9852
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.1855
2015 R A -1.0882
2016 L A 1.2216
2017 H A -0.1250
2018 Q A -1.3833
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2264 S A -0.2312
2265 D A -1.5985
2266 W A 0.7979
2267 S A -0.3127
2268 E A -1.9077
2269 S A -0.6409
2270 T A -0.1581
2271 P A -0.3073
2272 S A -0.3128
2273 P A -0.2882
2274 A A -0.0023
2275 T A -0.0456
2276 A A 0.0266
2277 T A -0.1496
2278 G A -0.4686
2279 A A 0.1664
2280 M A 1.0777
2281 A A 0.2841
2282 T A -0.0728
2283 T A -0.1017
2284 T A -0.1754
2285 G A -0.4642
2286 A A 0.2282
2287 L A 1.5070
2288 P A 0.0702
2289 A A -0.2685
2290 Q A -1.2334
2291 P A -0.1877
2292 L A 1.4456
2293 P A 0.3770
2294 L A 1.4517
2295 S A 0.4799
2296 V A 1.6798
2297 P A 0.0388
2298 S A -0.3110
2299 S A 0.1200
2300 L A 1.5074
2301 A A 0.0606
2302 Q A -1.1735
2303 A A -0.4424
2304 Q A -1.1982
2305 T A -0.5281
2306 Q A -0.8476
2307 L A 1.1805
2308 G A -0.2461
2309 P A -0.5946
2310 Q A -1.2989
2311 P A -0.8634
2312 E A -1.5215
2313 V A 1.3996
2314 T A 0.2570
2315 P A -0.6603
2316 K A -2.1008
2317 R A -2.3842
2318 Q A -1.1897
2319 V A 1.8216
2320 L A 1.8920
2321 A A 0.4240
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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 -0.0035 4.6651 View CSV PDB
4.5 -0.0352 4.6651 View CSV PDB
5.0 -0.074 4.6651 View CSV PDB
5.5 -0.1142 4.6651 View CSV PDB
6.0 -0.1506 4.6651 View CSV PDB
6.5 -0.1801 4.6651 View CSV PDB
7.0 -0.2027 4.6651 View CSV PDB
7.5 -0.2205 4.6651 View CSV PDB
8.0 -0.2351 4.6651 View CSV PDB
8.5 -0.2464 4.6651 View CSV PDB
9.0 -0.2529 4.6651 View CSV PDB