Project name: C484R_10

Status: done

Started: 2026-06-12 13:54:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVRKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:23)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:24)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:38:56)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/bb41758c9daf7b2/tmp/folded.pdb                (00:38:56)
[INFO]       Main:     Simulation completed successfully.                                          (01:22:55)
Show buried residues

Minimal score value
-4.865
Maximal score value
5.5483
Average score
-0.7581
Total score value
-1759.6226

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 0.7144
2 G A -0.2006
3 P A -0.6633
4 G A -1.1259
5 A A -1.5420
6 R A -2.9175
7 G A -2.9771
8 R A -4.0688
9 R A -4.6834
10 R A -4.7521
11 R A -4.8650
12 R A -4.2568
13 R A -3.2906
14 P A -1.3851
15 M A -0.0172
16 S A -0.1994
17 P A -0.3646
18 P A -0.5071
19 P A -0.6916
20 P A -0.6954
21 P A -0.3874
22 P A -0.3494
23 P A -0.1014
24 V A 0.8100
25 R A -0.7755
26 A A 0.4529
27 L A 1.6012
28 P A 1.7042
29 L A 3.4828
30 L A 4.0400
31 L A 3.9539
32 L A 3.7815
33 L A 3.2720
34 A A 1.6271
35 G A 0.3240
36 P A -0.4302
37 G A -0.6512
38 A A -0.2982
39 A A -0.1321
40 A A -0.0114
41 P A -0.6458
42 P A -0.9506
43 C A -0.6778
44 L A 0.4263
45 D A -1.3291
46 G A -0.9637
47 S A -1.0901
48 P A -1.2544
49 C A -1.6738
50 A A -1.7141
51 N A -1.8591
52 G A -1.3883
53 G A 0.0000
54 R A -1.6988
55 C A 0.0000
56 T A -0.7214
57 Q A -1.4143
58 L A -0.9169
59 P A -1.1109
60 S A -1.6568
61 R A -2.8728
62 E A -2.7799
63 A A -1.8702
64 A A -1.2339
65 C A -0.9870
66 L A 0.5148
67 C A -0.3343
68 P A -0.1985
69 P A -0.5018
70 G A -1.0234
71 W A -1.2761
72 V A -1.0764
73 G A -1.3272
74 E A -2.3838
75 R A -2.8249
76 C A 0.0000
77 Q A -2.5331
78 L A -1.8881
79 E A -2.4690
80 D A -1.6721
81 P A -1.3563
82 C A -0.9178
83 H A -1.5473
84 S A -1.1482
85 G A -0.8632
86 P A -0.5658
87 C A -0.7241
88 A A -0.5110
89 G A -0.9492
90 R A -1.6396
91 G A -1.0082
92 V A 0.5429
93 C A -0.1181
94 Q A -0.5069
95 S A -0.3916
96 S A 0.0098
97 V A 0.7786
98 V A 1.6065
99 A A 0.6420
100 G A -0.2556
101 T A -0.2635
102 A A 0.0000
103 R A -1.3328
104 F A -0.4687
105 S A -0.7049
106 C A -0.8208
107 R A -1.6478
108 C A -1.0352
109 P A -1.2223
110 R A -1.7061
111 G A -0.2712
112 F A -0.1278
113 R A -0.5780
114 G A -0.5038
115 P A -0.7329
116 D A -0.7513
117 C A 0.0000
118 S A -0.2321
119 L A 0.5104
120 P A -0.0349
121 D A -0.1139
122 P A 0.0602
123 C A 0.2666
124 L A 0.7820
125 S A 0.2715
126 S A -0.1314
127 P A -0.4140
128 C A -1.2317
129 A A -1.5379
130 H A -1.7106
131 G A -1.3169
132 A A -1.6568
133 R A -1.9847
134 C A 0.0000
135 S A -0.3633
136 V A -0.1290
137 G A -0.8045
138 P A -1.2699
139 D A -2.3034
140 G A -1.5571
141 R A -2.0495
142 F A -0.6959
143 L A -0.3636
144 C A -0.9804
145 S A -1.0710
146 C A -1.4126
147 P A -0.8456
148 P A -0.5065
149 G A -0.8917
150 Y A -1.8529
151 Q A -2.4353
152 G A -2.4368
153 R A -2.4011
154 S A -1.9703
155 C A 0.0000
156 R A -2.9223
157 S A -2.2930
158 D A -2.0019
159 V A -1.3412
160 D A -1.5293
161 E A -1.7360
162 C A -1.6207
163 R A -1.9201
164 V A 0.0254
165 G A -1.0771
166 E A -2.4055
167 P A -1.6619
168 C A 0.0000
169 R A -2.8451
170 H A -2.1282
171 G A -1.7927
172 G A -1.7339
173 T A -1.2592
174 C A -1.4486
175 L A -0.5092
176 N A -1.4859
177 T A 0.0000
178 P A -1.0762
179 G A -1.1888
180 S A -0.9364
181 F A -1.0971
182 R A -1.9064
183 C A -1.6740
184 Q A -1.3256
185 C A -1.2660
186 P A -0.6881
187 A A 0.0708
188 G A 0.2588
189 Y A -0.4436
190 T A -0.5398
191 G A -0.9413
192 P A -1.0110
193 L A -1.2422
194 C A 0.0000
195 E A -1.4710
196 N A -1.0938
197 P A -0.3079
198 A A 0.4753
199 V A 1.1574
200 P A -0.0169
201 C A -0.2061
202 A A 0.2764
203 P A 0.0373
204 S A -0.4869
205 P A -0.5879
206 C A 0.0000
207 R A -1.4748
208 N A -0.8174
209 G A -0.6421
210 G A -0.8586
211 T A -0.9082
212 C A -1.7071
213 R A -2.9500
214 Q A -2.4318
215 S A -1.7856
216 G A -1.4179
217 D A -1.1247
218 L A 0.7100
219 T A -0.5453
220 Y A -1.6648
221 D A -2.8390
222 C A -2.0343
223 A A -0.8947
224 C A -0.4445
225 L A 0.3972
226 P A -0.0622
227 G A -0.3924
228 F A -0.6993
229 E A -1.8198
230 G A -1.6225
231 Q A -2.1398
232 N A -1.5498
233 C A 0.0000
234 E A -0.6117
235 V A -0.3326
236 N A -0.4326
237 V A -0.8941
238 D A -1.6828
239 D A -1.6087
240 C A -1.5120
241 P A -1.3179
242 G A -1.2972
243 H A -1.5522
244 R A -2.0564
245 C A -0.9190
246 L A 0.1310
247 N A -0.8435
248 G A -0.6208
249 G A -0.7738
250 T A -0.6113
251 C A -0.7313
252 V A -0.2253
253 D A -0.9269
254 G A -0.2925
255 V A 0.7262
256 N A -0.7598
257 T A -0.7028
258 Y A -1.2417
259 N A -1.7728
260 C A -1.2618
261 Q A -1.3552
262 C A -1.1197
263 P A -0.6614
264 P A -0.8215
265 E A -1.2860
266 W A -1.1898
267 T A -1.5025
268 G A -1.5723
269 Q A -1.8786
270 F A -1.2679
271 C A 0.0000
272 T A -1.2162
273 E A -2.1067
274 D A -1.4844
275 V A -0.9681
276 D A -1.1422
277 E A -1.2937
278 C A -1.0951
279 Q A -1.2329
280 L A -0.0305
281 Q A -1.4852
282 P A -1.4989
283 N A -2.1350
284 A A -1.5388
285 C A 0.0000
286 H A -2.0355
287 N A -1.6049
288 G A -1.3439
289 G A -0.8699
290 T A -0.5321
291 C A -0.5362
292 F A 0.0049
293 N A -0.7004
294 T A 0.0641
295 L A 0.7131
296 G A -0.4592
297 G A -0.4016
298 H A -0.7330
299 S A -0.6336
300 C A -0.4637
301 V A -0.2907
302 C A -0.7082
303 V A -0.4379
304 N A -0.1449
305 G A 0.0000
306 W A -0.3851
307 T A -1.0112
308 G A -1.4485
309 E A -2.2485
310 S A -1.6955
311 C A 0.0000
312 S A -1.5751
313 Q A -1.8728
314 N A -1.2099
315 I A -0.5991
316 D A -1.8427
317 D A -1.0328
318 C A -0.5020
319 A A -0.2357
320 T A 0.1223
321 A A 0.7566
322 V A 1.7817
323 C A 1.5657
324 F A 0.9158
325 H A -0.8476
326 G A -0.5192
327 A A 0.2364
328 T A 0.1960
329 C A 0.2175
330 H A -0.8918
331 D A -1.6895
332 R A -1.6646
333 V A -0.0811
334 A A -0.1161
335 S A -0.3103
336 F A 0.2120
337 Y A 1.1789
338 C A 0.0000
339 A A 0.7057
340 C A 0.6106
341 P A 0.1901
342 M A 0.7976
343 G A -0.2073
344 K A -0.8089
345 T A -0.5727
346 G A 0.0437
347 L A 1.9438
348 L A 1.6943
349 C A 0.0000
350 H A -0.3168
351 L A -1.1829
352 D A -2.5075
353 D A -1.6484
354 A A -1.4192
355 C A -0.5896
356 V A 0.4180
357 S A -0.3230
358 N A -1.1235
359 P A -1.0852
360 C A -1.2918
361 H A -2.2277
362 E A -2.8825
363 D A -2.2250
364 A A -0.8479
365 I A 1.0126
366 C A -0.1516
367 D A -1.2541
368 T A 0.0000
369 N A -1.1569
370 P A -0.4080
371 V A 0.7364
372 N A -1.1789
373 G A -1.8267
374 R A -2.3497
375 A A -1.2513
376 I A 0.2886
377 C A -0.0704
378 T A 0.4016
379 C A -0.2857
380 P A -0.3642
381 P A -0.4505
382 G A -0.6935
383 F A -1.4127
384 T A -1.1899
385 G A -1.3849
386 G A -0.8948
387 A A -1.2551
388 C A 0.0000
389 D A -2.9312
390 Q A -2.5585
391 D A -1.9243
392 V A -0.8236
393 D A -0.7031
394 E A -0.1289
395 C A -0.1237
396 S A 0.1830
397 I A 1.2804
398 G A 0.1824
399 A A -0.4982
400 N A -1.5489
401 P A -1.2322
402 C A 0.0000
403 E A -2.7359
404 H A -1.4419
405 L A -0.2028
406 G A 0.0000
407 R A -2.0926
408 C A 0.0000
409 V A 0.1457
410 N A -0.4029
411 T A -0.4030
412 Q A -1.6554
413 G A -1.4311
414 S A -0.2502
415 F A 0.4073
416 L A 0.7410
417 C A 0.0000
418 Q A -1.2858
419 C A -1.7227
420 G A -1.3978
421 R A -1.9203
422 G A -1.2027
423 Y A -1.2858
424 T A -1.5656
425 G A -1.4781
426 P A -1.2016
427 R A -2.6084
428 C A 0.0000
429 E A -2.5677
430 T A -1.7838
431 D A -1.6734
432 V A -0.8327
433 N A -0.6612
434 E A -0.6471
435 C A -0.0005
436 L A 0.8100
437 S A 0.1431
438 G A -0.5283
439 P A -0.3575
440 C A -0.6088
441 R A -2.3608
442 N A -1.9861
443 Q A -1.8151
444 A A -0.4198
445 T A 0.3245
446 C A 0.4841
447 L A 0.4383
448 D A -0.8209
449 R A -1.3545
450 I A -0.0498
451 G A -1.1748
452 Q A -1.4886
453 F A -0.3925
454 T A 0.2910
455 C A 0.9349
456 I A 2.1353
457 C A 0.6455
458 M A 0.1620
459 A A 0.2970
460 G A -1.0335
461 F A -0.4466
462 T A 0.0148
463 G A 0.0392
464 T A 0.3017
465 Y A 0.2791
466 C A 0.0000
467 E A -1.1079
468 V A -0.2697
469 D A -1.9045
470 I A -1.5012
471 D A -3.4023
472 E A -3.4983
473 C A 0.0000
474 Q A -2.4612
475 S A -1.4405
476 S A -0.5798
477 P A -0.6386
478 C A -0.1381
479 V A 0.3219
480 N A -0.7791
481 G A -0.3965
482 G A 0.0012
483 V A 0.5830
484 R A -1.7702
485 K A -3.2781
486 D A -4.2398
487 R A -3.3857
488 V A -1.0602
489 N A -1.7299
490 G A -1.8546
491 F A -2.3579
492 S A -1.5505
493 C A -0.5742
494 T A -0.0290
495 C A 0.1685
496 P A -0.3372
497 S A -0.9906
498 G A -2.0237
499 F A -1.2417
500 S A -0.6597
501 G A -0.5542
502 S A -0.2601
503 T A -0.1754
504 C A 0.0000
505 Q A -1.0235
506 L A -0.4146
507 D A -2.6170
508 V A -2.0454
509 D A -2.9578
510 E A -2.7486
511 C A -1.6909
512 A A -1.0112
513 S A -0.7221
514 T A -1.0268
515 P A -1.0452
516 C A 0.0000
517 R A -3.3304
518 N A -3.0799
519 G A -2.4373
520 A A -2.9771
521 K A -2.9812
522 C A -2.2725
523 V A -1.8898
524 D A -3.1848
525 Q A -2.8800
526 P A -2.6111
527 D A -2.9364
528 G A -2.1784
529 Y A -2.0532
530 E A -2.2767
531 C A -2.3492
532 R A -2.9205
533 C A -3.0214
534 A A -2.0001
535 E A -1.7395
536 G A 0.0000
537 F A -2.3138
538 E A -3.1734
539 G A -2.1185
540 T A -1.4956
541 L A -1.9064
542 C A 0.0000
543 D A -3.5896
544 R A -3.6019
545 N A -2.0383
546 V A -1.4265
547 D A -1.9883
548 D A -1.2627
549 C A -1.5471
550 S A -1.6109
551 P A -1.5790
552 D A -2.7228
553 P A -2.1357
554 C A 0.0000
555 H A -2.7742
556 H A -2.0986
557 G A -1.8883
558 R A -2.1549
559 C A 0.0000
560 V A 0.4780
561 D A -0.4750
562 G A 0.5636
563 I A 1.2852
564 A A 0.0715
565 S A 0.1972
566 F A 0.0434
567 S A -0.1866
568 C A -1.1458
569 A A -0.4417
570 C A -1.1081
571 A A -0.8525
572 P A -0.6706
573 G A -0.9562
574 Y A -1.3244
575 T A -1.3331
576 G A -1.5283
577 T A -1.3449
578 R A -2.9929
579 C A 0.0000
580 E A -3.0717
581 S A -2.1163
582 Q A -1.8817
583 V A -1.7380
584 D A -2.7452
585 E A -2.4034
586 C A 0.0000
587 R A -3.0681
588 S A -1.9991
589 Q A -2.7710
590 P A -1.5852
591 C A -1.8753
592 R A -2.6698
593 H A -1.9332
594 G A -2.0647
595 G A -2.2825
596 K A -2.8882
597 C A 0.0000
598 L A -1.0180
599 D A -2.0053
600 L A -0.2014
601 V A 0.0180
602 D A -2.0982
603 K A -1.8815
604 Y A -0.7312
605 L A 0.2190
606 C A -1.1073
607 R A -1.9065
608 C A -1.3947
609 P A -1.3763
610 S A -0.8267
611 G A -0.8698
612 T A 0.0000
613 T A 0.0606
614 G A 0.3957
615 V A 1.3741
616 N A -0.4910
617 C A 0.0000
618 E A -0.6090
619 V A 0.4917
620 N A -0.8906
621 I A -0.2693
622 D A -2.1317
623 D A -2.6518
624 C A -1.9060
625 A A -1.0144
626 S A -1.1755
627 N A -1.2083
628 P A -0.5038
629 C A -0.0492
630 T A 0.4306
631 F A 0.9553
632 G A 0.4571
633 V A 1.0426
634 C A -0.6604
635 R A -2.6562
636 D A -2.6016
637 G A -2.1479
638 I A -0.9308
639 N A -2.1450
640 R A -3.0995
641 Y A -2.6131
642 D A -2.2812
643 C A -0.5619
644 V A 0.3349
645 C A 0.1653
646 Q A -1.0840
647 P A -1.5209
648 G A 0.0000
649 F A -0.7844
650 T A 0.0627
651 G A 0.2777
652 P A -0.0854
653 L A 0.6681
654 C A 0.0000
655 N A -0.2654
656 V A 0.5639
657 E A -1.6040
658 I A -1.1678
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1998 R A -1.4045
1999 E A -1.8608
2000 I A -1.3340
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2244 Y A 1.5697
2245 L A 1.9624
2246 T A 0.8731
2247 P A -0.1192
2248 S A -0.9165
2249 P A -1.3936
2250 E A -2.3594
2251 S A -1.9408
2252 P A -1.8950
2253 E A -2.4050
2254 H A -1.3609
2255 W A 0.1569
2256 A A -0.0607
2257 S A -0.2065
2258 P A -0.4070
2259 S A -0.6058
2260 P A -0.4563
2261 P A -0.2653
2262 S A 0.0586
2263 L A 0.9685
2264 S A -0.1245
2265 D A -1.2078
2266 W A -0.0503
2267 S A -1.0929
2268 E A -2.0191
2269 S A -1.1513
2270 T A -0.7651
2271 P A -0.6790
2272 S A -0.4741
2273 P A -0.3987
2274 A A -0.1674
2275 T A -0.1096
2276 A A -0.1006
2277 T A -0.2692
2278 G A -0.2462
2279 A A 0.3726
2280 M A 1.0036
2281 A A 0.5458
2282 T A 0.1188
2283 T A -0.2285
2284 T A -0.3487
2285 G A -0.1364
2286 A A 0.5153
2287 L A 1.3572
2288 P A 0.3001
2289 A A -0.4413
2290 Q A -1.0021
2291 P A -0.1152
2292 L A 1.3667
2293 P A 1.1721
2294 L A 2.0479
2295 S A 1.4259
2296 V A 1.8456
2297 P A 0.4198
2298 S A 0.2541
2299 S A 0.5061
2300 L A 1.1502
2301 A A 0.1189
2302 Q A -1.0680
2303 A A -1.1929
2304 Q A -1.7104
2305 T A -0.8884
2306 Q A -0.7207
2307 L A 0.5900
2308 G A -0.3789
2309 P A -0.8310
2310 Q A -1.9794
2311 P A -1.5306
2312 E A -1.3931
2313 V A 0.7422
2314 T A -0.0043
2315 P A -1.2488
2316 K A -3.0369
2317 R A -2.9127
2318 Q A -1.1516
2319 V A 1.4446
2320 L A 2.1618
2321 A A 1.1984
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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 -0.0708 7.0098 View CSV PDB
4.5 -0.1536 7.0098 View CSV PDB
5.0 -0.2535 7.0098 View CSV PDB
5.5 -0.3567 7.0098 View CSV PDB
6.0 -0.4514 7.0098 View CSV PDB
6.5 -0.5305 7.0098 View CSV PDB
7.0 -0.5935 7.0098 View CSV PDB
7.5 -0.6446 7.0098 View CSV PDB
8.0 -0.6871 7.0098 View CSV PDB
8.5 -0.7195 7.0098 View CSV PDB
9.0 -0.7385 7.0098 View CSV PDB