Project name: R54C

Status: done

Started: 2026-05-06 05:33:42
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGCCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:06)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/80ae8959704cad9/tmp/folded.pdb                (00:18:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:54:49)
Show buried residues

Minimal score value
-4.8099
Maximal score value
5.3154
Average score
-0.7612
Total score value
-1766.8524

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 0.7150
2 G A -0.1937
3 P A -0.6404
4 G A -0.9704
5 A A -1.3574
6 R A -2.5355
7 G A -2.6936
8 R A -4.0251
9 R A -4.4799
10 R A -4.4558
11 R A -4.8099
12 R A -4.4728
13 R A -3.0515
14 P A -1.0819
15 M A 0.2965
16 S A -0.1000
17 P A -0.3237
18 P A -0.6195
19 P A -0.6483
20 P A -0.6491
21 P A -0.4351
22 P A -0.3074
23 P A -0.0617
24 V A 0.8594
25 R A -0.6892
26 A A 0.5370
27 L A 1.8197
28 P A 1.6610
29 L A 3.2418
30 L A 3.8400
31 L A 3.8396
32 L A 3.6578
33 L A 2.7603
34 A A 1.1243
35 G A -0.0268
36 P A -0.4426
37 G A -0.6596
38 A A -0.2808
39 A A -0.4299
40 A A -0.8102
41 P A -0.2949
42 P A -0.9088
43 C A -0.2790
44 L A 0.4117
45 D A -1.2858
46 G A -0.9388
47 S A -0.5048
48 P A -0.5992
49 C A -0.6791
50 A A -1.0133
51 N A -1.3865
52 G A -0.6357
53 G A 0.0000
54 C A 0.9341
55 C A 0.5183
56 T A -0.2439
57 Q A -1.4842
58 L A -1.1702
59 P A -1.2473
60 S A -1.7520
61 R A -3.0070
62 E A -2.9418
63 A A -1.6457
64 A A -0.8937
65 C A 0.0015
66 L A 1.4308
67 C A 0.5057
68 P A 0.2554
69 P A -0.4219
70 G A -0.9774
71 W A -0.8192
72 V A -0.8253
73 G A -1.0118
74 E A -2.0683
75 R A -1.7835
76 C A 0.0000
77 Q A -1.7549
78 L A -1.5141
79 E A -2.2812
80 D A -1.6258
81 P A -1.3948
82 C A -1.0369
83 H A -1.6335
84 S A -1.1472
85 G A -0.8666
86 P A -0.4182
87 C A -0.8398
88 A A -0.6273
89 G A -1.2183
90 R A -1.9475
91 G A -1.1892
92 V A 0.3014
93 C A -0.4097
94 Q A -1.0881
95 S A -0.6505
96 S A -0.1747
97 V A 0.5894
98 V A 1.5233
99 A A 0.6032
100 G A -0.2333
101 T A -0.1320
102 A A 0.0000
103 R A -1.3223
104 F A -0.6848
105 S A -0.9165
106 C A -1.0151
107 R A -1.7817
108 C A -1.1197
109 P A -1.2847
110 R A -1.8840
111 G A 0.0000
112 F A -0.1842
113 R A -0.6524
114 G A -0.5537
115 P A -0.7466
116 D A -0.7899
117 C A 0.0000
118 S A -0.1348
119 L A 0.3949
120 P A 0.1347
121 D A 0.0047
122 P A 0.3008
123 C A 0.5131
124 L A 0.8874
125 S A 0.3236
126 S A -0.1054
127 P A -0.3065
128 C A -1.1211
129 A A -1.5572
130 H A -1.7238
131 G A -1.3300
132 A A -1.5624
133 R A -1.8386
134 C A -0.1747
135 S A 0.0736
136 V A 0.3436
137 G A -0.4102
138 P A -1.1100
139 D A -2.1371
140 G A -1.3344
141 R A -1.5909
142 F A -0.1854
143 L A 0.5532
144 C A 0.0000
145 S A -0.8814
146 C A -1.3273
147 P A -0.8559
148 P A -0.4928
149 G A -0.8151
150 Y A -1.7801
151 Q A -2.3517
152 G A -2.4531
153 R A -2.3016
154 S A 0.0000
155 C A 0.0000
156 R A -2.8916
157 S A -2.2096
158 D A -1.7786
159 V A -1.0872
160 D A -1.0613
161 E A -1.4981
162 C A -1.4667
163 R A -1.7882
164 V A 0.0972
165 G A -1.0351
166 E A -2.3916
167 P A -1.7304
168 C A 0.0000
169 R A -3.1054
170 H A -2.1909
171 G A -1.7262
172 G A -1.7813
173 T A -1.2737
174 C A -1.4472
175 L A -0.4988
176 N A -1.1489
177 T A -0.7765
178 P A -0.9307
179 G A -1.0666
180 S A -0.8232
181 F A -0.9729
182 R A -1.8704
183 C A -1.6305
184 Q A -1.5453
185 C A -1.3085
186 P A -0.6510
187 A A 0.0167
188 G A 0.0591
189 Y A -0.4989
190 T A -0.7787
191 G A -1.0032
192 P A -1.1410
193 L A -1.4660
194 C A 0.0000
195 E A -2.0209
196 N A -1.6764
197 P A -0.4490
198 A A 0.2679
199 V A 0.9426
200 P A -0.0841
201 C A -0.3064
202 A A 0.2487
203 P A 0.0024
204 S A -0.6630
205 P A -1.1337
206 C A -2.0841
207 R A -2.6441
208 N A -1.9400
209 G A -1.2957
210 G A -1.5283
211 T A -1.1500
212 C A -1.8295
213 R A -2.9807
214 Q A -2.4964
215 S A -1.8538
216 G A -1.3434
217 D A -1.2686
218 L A 0.4267
219 T A -0.6975
220 Y A -1.7817
221 D A -2.9023
222 C A 0.0000
223 A A -0.9622
224 C A -0.8419
225 L A 0.0410
226 P A -0.1155
227 G A -0.6054
228 F A -1.2286
229 E A -2.2908
230 G A -2.0048
231 Q A -2.3247
232 N A -2.2008
233 C A 0.0000
234 E A -2.5242
235 V A -0.7866
236 N A -1.2153
237 V A -1.0206
238 D A -1.9184
239 D A -1.9374
240 C A -1.4697
241 P A -1.3899
242 G A -1.3748
243 H A -1.6201
244 R A -2.0995
245 C A 0.0000
246 L A 0.0975
247 N A -0.8361
248 G A -0.5945
249 G A -0.7856
250 T A -0.5649
251 C A -0.7040
252 V A -0.0985
253 D A -0.8717
254 G A -0.3168
255 V A 0.5020
256 N A -0.9223
257 T A -0.7335
258 Y A -1.2872
259 N A -1.7704
260 C A -1.2608
261 Q A -1.3618
262 C A -1.1347
263 P A -0.7932
264 P A -0.7424
265 E A -1.1910
266 W A -1.1458
267 T A -1.3762
268 G A -1.6670
269 Q A -1.9441
270 F A -1.3948
271 C A 0.0000
272 T A -1.2484
273 E A -2.0869
274 D A -1.3984
275 V A 0.0000
276 D A -0.9060
277 E A -1.0583
278 C A -0.7874
279 Q A -1.1079
280 L A -0.0433
281 Q A -1.4730
282 P A -1.5327
283 N A -2.0881
284 A A -1.4329
285 C A 0.0000
286 H A -1.8654
287 N A -1.5964
288 G A -0.7752
289 G A -0.0259
290 T A 0.7536
291 C A 0.4840
292 F A 1.5500
293 N A -0.0247
294 T A 0.4108
295 L A 0.7430
296 G A -0.4217
297 G A -0.2124
298 H A -0.1399
299 S A 0.1852
300 C A 0.6944
301 V A 1.8872
302 C A 0.3750
303 V A 0.4224
304 N A -0.5674
305 G A 0.0000
306 W A -0.7709
307 T A -0.9423
308 G A -1.3198
309 E A -2.0153
310 S A -1.4803
311 C A 0.0000
312 S A -1.5839
313 Q A -1.9826
314 N A -1.5649
315 I A -0.9729
316 D A -2.0231
317 D A -0.9803
318 C A -0.3470
319 A A -0.2195
320 T A 0.1369
321 A A 0.8460
322 V A 2.1513
323 C A 1.6299
324 F A 1.0628
325 H A -0.5682
326 G A -0.4282
327 A A 0.2375
328 T A 0.2191
329 C A 0.4895
330 H A -0.7265
331 D A -1.3385
332 R A -1.5654
333 V A -1.0824
334 A A -0.7069
335 S A -0.8372
336 F A 0.1679
337 Y A 0.8546
338 C A 0.0000
339 A A 0.5017
340 C A 0.4762
341 P A 0.1508
342 M A 0.8078
343 G A -0.0032
344 K A -0.9553
345 T A -0.6159
346 G A 0.0783
347 L A 1.6103
348 L A 1.6864
349 C A 0.0000
350 H A -0.0533
351 L A -1.1754
352 D A -2.1736
353 D A -1.3165
354 A A -1.0877
355 C A -0.3029
356 V A 0.8389
357 S A 0.0056
358 N A -1.0778
359 P A -0.8158
360 C A -1.2805
361 H A -2.0837
362 E A -2.8329
363 D A -2.1928
364 A A -0.8804
365 I A 0.9258
366 C A -0.0401
367 D A -1.2298
368 T A 0.0000
369 N A 0.0000
370 P A -0.4359
371 V A 0.0067
372 N A -1.6793
373 G A -1.9471
374 R A -2.2256
375 A A -1.0281
376 I A -0.3079
377 C A -0.2835
378 T A 0.0906
379 C A -0.3279
380 P A -0.3348
381 P A -0.4491
382 G A -0.7840
383 F A -1.3895
384 T A -1.2125
385 G A -1.3549
386 G A -0.9999
387 A A -1.2904
388 C A 0.0000
389 D A -2.7437
390 Q A -2.5631
391 D A -1.9755
392 V A -1.0653
393 D A -1.1914
394 E A -0.4011
395 C A -0.2557
396 S A -0.2366
397 I A 0.4956
398 G A -0.8100
399 A A -0.6807
400 N A -1.3309
401 P A -0.8249
402 C A 0.0000
403 E A -1.4732
404 H A -0.8956
405 L A 0.2425
406 G A 0.0000
407 R A -2.0464
408 C A 0.0000
409 V A 0.0364
410 N A -0.4927
411 T A -0.4978
412 Q A -1.6584
413 G A -1.3008
414 S A -0.3364
415 F A 0.3187
416 L A 0.7166
417 C A -0.8783
418 Q A -1.5919
419 C A -1.4740
420 G A -1.2122
421 R A -1.9016
422 G A -1.1057
423 Y A -0.8536
424 T A -1.2497
425 G A -1.2398
426 P A -1.0099
427 R A -2.0780
428 C A 0.0000
429 E A -1.7654
430 T A -1.3602
431 D A -1.2469
432 V A -0.7113
433 N A -0.8928
434 E A -0.9585
435 C A -0.2898
436 L A 0.6132
437 S A -0.1216
438 G A -0.5536
439 P A -0.3794
440 C A -0.7676
441 R A -2.1835
442 N A -1.9276
443 Q A -1.7297
444 A A -0.4544
445 T A 0.2118
446 C A 0.3700
447 L A 0.0664
448 D A -1.1136
449 R A -1.2719
450 I A 0.1320
451 G A 0.0000
452 Q A -1.4783
453 F A -0.4730
454 T A 0.2107
455 C A 0.8265
456 I A 1.8205
457 C A 0.7988
458 M A 0.2384
459 A A 0.2717
460 G A -0.7367
461 F A 0.0000
462 T A -0.0874
463 G A -0.0052
464 T A 0.2928
465 Y A 0.2698
466 C A 0.0000
467 E A -0.9603
468 V A -0.2949
469 D A -1.8688
470 I A -1.5691
471 D A -3.2679
472 E A -3.0953
473 C A -2.2454
474 Q A -2.2884
475 S A -1.3686
476 S A -0.5260
477 P A -0.0572
478 C A 0.3082
479 V A 0.5767
480 N A -0.7345
481 G A -0.2514
482 G A 0.3656
483 V A 1.2208
484 C A -0.5729
485 K A -2.3047
486 D A -3.6481
487 R A -2.9069
488 V A -0.6789
489 N A -1.5592
490 G A -1.5063
491 F A -1.5871
492 S A -0.8002
493 C A 0.1820
494 T A 0.3614
495 C A 0.3742
496 P A -0.3769
497 S A -1.1178
498 G A -2.0198
499 F A -1.1260
500 S A -0.5949
501 G A -0.5189
502 S A -0.2257
503 T A 0.0657
504 C A 0.0000
505 Q A -0.9595
506 L A -0.2770
507 D A -2.4444
508 V A -1.8709
509 D A -2.9516
510 E A -2.8187
511 C A -1.7540
512 A A -1.0304
513 S A -0.7182
514 T A -0.8905
515 P A -0.7471
516 C A 0.0000
517 R A -2.8456
518 N A -3.0438
519 G A -2.2833
520 A A -2.8243
521 K A -2.9214
522 C A -2.2403
523 V A -1.9640
524 D A -3.4043
525 Q A -2.9536
526 P A -2.5934
527 D A -2.9355
528 G A -2.2275
529 Y A -2.1432
530 E A -2.2996
531 C A -2.2849
532 R A -2.8983
533 C A -2.9242
534 A A -1.9919
535 E A -1.9242
536 G A -1.2364
537 F A -2.5186
538 E A -3.3877
539 G A -2.2004
540 T A -1.4671
541 L A -1.7848
542 C A 0.0000
543 D A -3.6769
544 R A -3.8266
545 N A -2.4765
546 V A -1.7423
547 D A -2.2065
548 D A -1.3236
549 C A -1.5819
550 S A -1.6374
551 P A -1.5879
552 D A -2.6444
553 P A -1.9110
554 C A 0.0000
555 H A -2.4948
556 H A -1.9631
557 G A -1.7716
558 R A -2.0860
559 C A 0.0000
560 V A 0.4565
561 D A -0.5488
562 G A 0.4918
563 I A 1.1825
564 A A -0.0014
565 S A 0.2124
566 F A 0.1592
567 S A -0.0387
568 C A -0.9158
569 A A -0.3402
570 C A -1.0681
571 A A -0.8711
572 P A -0.6287
573 G A 0.0000
574 Y A -0.9546
575 T A -0.9858
576 G A -1.1942
577 T A -0.9267
578 R A -2.1520
579 C A 0.0000
580 E A -2.4660
581 S A -1.6950
582 Q A -1.5064
583 V A -1.1895
584 D A -2.1803
585 E A -2.0589
586 C A -2.1696
587 R A -2.8341
588 S A -1.8742
589 Q A -2.7628
590 P A -1.4701
591 C A -1.8009
592 R A -2.8821
593 H A -1.8207
594 G A -2.0668
595 G A -2.2823
596 K A -2.7670
597 C A -1.7409
598 L A -0.9327
599 D A -1.9284
600 L A -0.1181
601 V A 0.1211
602 D A -1.9840
603 K A -1.7237
604 Y A -0.4406
605 L A 0.5393
606 C A -0.9446
607 R A -2.0404
608 C A -1.3105
609 P A -1.2728
610 S A -0.4563
611 G A -0.6304
612 T A 0.0000
613 T A 0.1620
614 G A 0.4369
615 V A 1.4093
616 N A -0.4930
617 C A 0.0000
618 E A -0.6855
619 V A 0.6380
620 N A -0.5920
621 I A 0.0886
622 D A -1.9770
623 D A -2.6097
624 C A -1.8746
625 A A -1.0047
626 S A -1.1943
627 N A -1.1026
628 P A -0.4731
629 C A -0.1016
630 T A 0.3051
631 F A 0.8239
632 G A 0.4559
633 V A 1.0175
634 C A -0.6270
635 R A -2.3897
636 D A -2.3174
637 G A -1.8053
638 I A -0.5314
639 N A -1.9656
640 R A -2.9387
641 Y A -2.5277
642 D A -2.0215
643 C A -0.4168
644 V A 0.5184
645 C A 0.1881
646 Q A -0.8984
647 P A -1.3550
648 G A 0.0000
649 F A -0.6948
650 T A 0.1016
651 G A 0.2312
652 P A -0.1074
653 L A 0.5032
654 C A 0.0000
655 N A -0.3765
656 V A 0.6091
657 E A -1.5626
658 I A -1.0228
659 N A -1.8119
660 E A -1.7220
661 C A -0.8146
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1993 D A -1.8037
1994 H A -0.9540
1995 F A -0.5763
1996 A A 0.0000
1997 N A -1.2141
1998 R A -1.7917
1999 E A -2.1576
2000 I A -1.5579
2001 T A -1.7104
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2010 D A -2.5282
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2012 A A 0.0000
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2016 L A -0.7060
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2246 T A 0.8558
2247 P A -0.3201
2248 S A -0.8343
2249 P A -1.4117
2250 E A -2.3993
2251 S A -1.8488
2252 P A -1.9899
2253 E A -2.4444
2254 H A -1.4739
2255 W A 0.2275
2256 A A 0.1484
2257 S A -0.1415
2258 P A -0.4246
2259 S A -0.5808
2260 P A -0.6285
2261 P A -0.2415
2262 S A 0.4237
2263 L A 0.8935
2264 S A -0.2264
2265 D A -1.2284
2266 W A -0.2876
2267 S A -1.0393
2268 E A -1.9992
2269 S A -1.2747
2270 T A -0.7712
2271 P A -0.6917
2272 S A -0.4716
2273 P A -0.3939
2274 A A -0.1813
2275 T A -0.0851
2276 A A -0.1289
2277 T A -0.2938
2278 G A -0.2407
2279 A A 0.2981
2280 M A 1.0019
2281 A A 0.6009
2282 T A 0.1292
2283 T A -0.2327
2284 T A -0.3720
2285 G A -0.1781
2286 A A 0.5969
2287 L A 1.3721
2288 P A 0.2818
2289 A A -0.3707
2290 Q A -1.0015
2291 P A -0.1297
2292 L A 1.4070
2293 P A 1.1422
2294 L A 2.1202
2295 S A 1.3026
2296 V A 1.8678
2297 P A 0.4101
2298 S A 0.2651
2299 S A 0.4121
2300 L A 1.1631
2301 A A 0.1819
2302 Q A -1.0623
2303 A A -1.2055
2304 Q A -1.7015
2305 T A -0.8555
2306 Q A -0.8098
2307 L A 0.6543
2308 G A -0.3916
2309 P A -0.8367
2310 Q A -1.7701
2311 P A -1.4491
2312 E A -1.3480
2313 V A 0.3859
2314 T A -0.1575
2315 P A -1.3529
2316 K A -2.7857
2317 R A -2.9865
2318 Q A -1.3178
2319 V A 1.5661
2320 L A 2.1772
2321 A A 1.1997
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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 -0.0575 7.2677 View CSV PDB
4.5 -0.1421 7.1918 View CSV PDB
5.0 -0.2449 7.088 View CSV PDB
5.5 -0.3514 6.9739 View CSV PDB
6.0 -0.4487 6.8669 View CSV PDB
6.5 -0.5292 6.785 View CSV PDB
7.0 -0.5926 6.7379 View CSV PDB
7.5 -0.6443 6.7177 View CSV PDB
8.0 -0.6881 6.7105 View CSV PDB
8.5 -0.7223 6.7081 View CSV PDB
9.0 -0.7433 6.7074 View CSV PDB