Project name: R985C

Status: done

Started: 2026-05-09 14:38:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFCCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:40)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5e1753114a6153a/tmp/folded.pdb                (00:31:40)
[INFO]       Main:     Simulation completed successfully.                                          (01:10:37)
Show buried residues

Minimal score value
-4.6026
Maximal score value
5.5239
Average score
-0.739
Total score value
-1715.139

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 0.7154
2 G A -0.1925
3 P A -0.4484
4 G A -0.9531
5 A A -1.3203
6 R A -2.5592
7 G A -2.6880
8 R A -3.8536
9 R A -4.4260
10 R A -4.5106
11 R A -4.6026
12 R A -4.4589
13 R A -3.0387
14 P A -1.1165
15 M A 0.3085
16 S A 0.0348
17 P A -0.3338
18 P A -0.5413
19 P A -0.6619
20 P A -0.6792
21 P A -0.4672
22 P A -0.4030
23 P A 0.0264
24 V A 0.8666
25 R A -0.6480
26 A A 0.5104
27 L A 1.7789
28 P A 1.6506
29 L A 3.2799
30 L A 3.8917
31 L A 3.9899
32 L A 3.6762
33 L A 2.8631
34 A A 1.1371
35 G A 0.0106
36 P A -0.4584
37 G A -0.6485
38 A A -0.2917
39 A A -0.2772
40 A A -0.2964
41 P A -0.8013
42 P A -0.9103
43 C A -0.7372
44 L A 0.2121
45 D A -1.3084
46 G A -0.9008
47 S A -0.6674
48 P A -0.8401
49 C A -1.1285
50 A A -1.2161
51 N A -1.6407
52 G A -1.2456
53 G A -1.1828
54 R A -1.5359
55 C A -0.0144
56 T A -0.8168
57 Q A -1.8166
58 L A -1.1831
59 P A -1.3361
60 S A -1.7831
61 R A -3.0589
62 E A -2.8043
63 A A 0.0000
64 A A -0.9635
65 C A 0.0000
66 L A 0.2671
67 C A -0.2170
68 P A -0.3151
69 P A -0.4799
70 G A -0.9699
71 W A -0.7898
72 V A -0.8140
73 G A -0.9254
74 E A -1.9561
75 R A -1.6733
76 C A 0.0000
77 Q A -1.5187
78 L A -1.4093
79 E A -2.2569
80 D A -1.6138
81 P A -1.3924
82 C A -1.0074
83 H A -1.5258
84 S A -1.1373
85 G A -0.8419
86 P A -0.3827
87 C A -0.7734
88 A A -0.5236
89 G A -1.0216
90 R A -1.8353
91 G A -1.0882
92 V A 0.4292
93 C A -0.3268
94 Q A -0.9420
95 S A -0.6184
96 S A -0.1826
97 V A 0.4859
98 V A 1.3802
99 A A 0.5314
100 G A -0.2835
101 T A -0.1915
102 A A 0.0000
103 R A -1.4086
104 F A -0.7017
105 S A -0.9060
106 C A -0.9799
107 R A -1.7497
108 C A -1.1275
109 P A -1.2979
110 R A -1.9496
111 G A -0.3680
112 F A -0.2025
113 R A -0.5419
114 G A -0.5223
115 P A -0.7309
116 D A -0.7371
117 C A 0.0000
118 S A -0.0716
119 L A 0.4754
120 P A 0.1399
121 D A -0.1380
122 P A 0.1245
123 C A 0.3014
124 L A 0.5291
125 S A 0.1563
126 S A -0.2109
127 P A -0.3591
128 C A -1.1125
129 A A -1.6753
130 H A -1.7619
131 G A -1.3115
132 A A -1.5514
133 R A -1.8248
134 C A -0.2148
135 S A 0.0211
136 V A 0.1859
137 G A 0.0000
138 P A -1.1431
139 D A -2.1983
140 G A -1.4362
141 R A -1.8037
142 F A -0.3479
143 L A 0.5131
144 C A -0.5586
145 S A -0.8602
146 C A -1.3266
147 P A -0.8583
148 P A -0.5250
149 G A -0.9189
150 Y A -1.9209
151 Q A -2.4580
152 G A -2.4942
153 R A -2.2979
154 S A -1.8402
155 C A 0.0000
156 R A -2.9735
157 S A -2.3330
158 D A -2.0124
159 V A -1.1690
160 D A -1.1186
161 E A -1.4391
162 C A -1.4362
163 R A -1.6920
164 V A 0.1087
165 G A -1.0787
166 E A -2.3718
167 P A -1.7658
168 C A 0.0000
169 R A -2.9248
170 H A -2.1133
171 G A -1.6587
172 G A -1.7263
173 T A -1.2522
174 C A -1.4300
175 L A -0.7043
176 N A -1.2018
177 T A -0.8184
178 P A -0.9869
179 G A -1.1248
180 S A -0.8447
181 F A -0.9673
182 R A -1.8842
183 C A -1.6134
184 Q A -1.5299
185 C A -1.2853
186 P A -0.6201
187 A A 0.0128
188 G A 0.0867
189 Y A -0.4595
190 T A -0.7373
191 G A -1.0123
192 P A -1.1398
193 L A -1.4389
194 C A 0.0000
195 E A -2.0511
196 N A -1.6965
197 P A -0.4192
198 A A 0.3675
199 V A 1.1962
200 P A -0.0046
201 C A -0.2410
202 A A 0.3479
203 P A 0.0589
204 S A -0.6968
205 P A -1.1285
206 C A -2.2468
207 R A -3.0159
208 N A -2.0872
209 G A -1.3748
210 G A -1.6084
211 T A -1.2098
212 C A -1.8909
213 R A -2.9835
214 Q A -2.4881
215 S A -1.8916
216 G A -1.3737
217 D A -1.2946
218 L A 0.3398
219 T A -0.7494
220 Y A -1.8192
221 D A -2.9378
222 C A 0.0000
223 A A -0.9619
224 C A -0.8984
225 L A 0.1302
226 P A -0.0091
227 G A -0.4719
228 F A -1.1365
229 E A -2.3228
230 G A -2.0750
231 Q A -2.4493
232 N A -2.4499
233 C A 0.0000
234 E A -2.4749
235 V A -1.0139
236 N A -0.7967
237 V A -0.9000
238 D A -1.8014
239 D A -1.6003
240 C A -1.5123
241 P A -1.3212
242 G A -1.3102
243 H A -1.5690
244 R A -2.0865
245 C A 0.0000
246 L A 0.0833
247 N A -0.8383
248 G A -0.5955
249 G A -0.7919
250 T A -0.6004
251 C A -0.7429
252 V A -0.2192
253 D A -0.9083
254 G A -0.2561
255 V A 0.6728
256 N A -0.7324
257 T A -0.6916
258 Y A -1.2392
259 N A -1.7771
260 C A -1.2920
261 Q A -1.3741
262 C A -1.1284
263 P A -0.6443
264 P A -0.7358
265 E A -1.2855
266 W A -1.1976
267 T A -1.3955
268 G A -1.6313
269 Q A -1.9155
270 F A -1.3478
271 C A 0.0000
272 T A -1.2266
273 E A -2.1195
274 D A -1.4733
275 V A -1.1306
276 D A -1.3553
277 E A -1.1458
278 C A -0.9314
279 Q A -1.2312
280 L A -0.1498
281 Q A -1.5511
282 P A -1.5050
283 N A -2.1491
284 A A -1.3808
285 C A 0.0000
286 H A -2.1114
287 N A -1.8766
288 G A -1.4487
289 G A -0.2653
290 T A 0.6255
291 C A 0.3835
292 F A 1.4946
293 N A -0.1196
294 T A 0.3468
295 L A 0.6633
296 G A -0.4769
297 G A -0.3002
298 H A -0.4184
299 S A 0.1499
300 C A 0.6302
301 V A 1.8529
302 C A 0.2196
303 V A -0.1218
304 N A -0.9533
305 G A 0.0000
306 W A -0.8065
307 T A -0.9478
308 G A -1.3074
309 E A -2.0378
310 S A -1.5327
311 C A 0.0000
312 S A -1.6379
313 Q A -1.9222
314 N A -1.5480
315 I A -1.0010
316 D A -2.1346
317 D A -1.1123
318 C A -0.4058
319 A A -0.2727
320 T A 0.0124
321 A A 0.8201
322 V A 1.9252
323 C A 1.6200
324 F A 0.9667
325 H A -0.6450
326 G A -0.3986
327 A A 0.2157
328 T A 0.2637
329 C A 0.5029
330 H A -0.7279
331 D A -1.4542
332 R A -2.0079
333 V A -1.4906
334 A A -1.3407
335 S A -0.9755
336 F A 0.0628
337 Y A 1.1008
338 C A 0.0000
339 A A 0.6050
340 C A 0.5148
341 P A 0.1247
342 M A 0.7900
343 G A -0.0557
344 K A -1.0134
345 T A -0.6978
346 G A 0.4925
347 L A 2.2818
348 L A 1.7119
349 C A 0.0000
350 H A -0.0207
351 L A -0.9957
352 D A -2.1469
353 D A -1.4331
354 A A -1.2252
355 C A -0.4005
356 V A 0.8310
357 S A 0.0019
358 N A -0.9248
359 P A -0.8988
360 C A -1.3827
361 H A -2.2292
362 E A -2.8980
363 D A -2.4147
364 A A -0.9595
365 I A 0.8650
366 C A -0.1320
367 D A -1.2552
368 T A 0.0000
369 N A 0.0000
370 P A 0.1587
371 V A 1.2003
372 N A -0.6310
373 G A -1.6373
374 R A -2.4292
375 A A 0.0000
376 I A -0.4570
377 C A 0.0000
378 T A 0.1103
379 C A -0.4256
380 P A -0.3312
381 P A -0.4310
382 G A -0.7426
383 F A -1.3552
384 T A -1.1575
385 G A -1.4428
386 G A -1.1718
387 A A -1.1655
388 C A 0.0000
389 D A -2.9622
390 Q A -2.5524
391 D A -1.9421
392 V A -1.1264
393 D A -1.3206
394 E A -0.7499
395 C A -0.5180
396 S A -1.0403
397 I A -0.8225
398 G A -1.4712
399 A A -1.1873
400 N A -1.6149
401 P A -1.1012
402 C A 0.0000
403 E A -2.1789
404 H A -1.4185
405 L A -0.0677
406 G A 0.0000
407 R A -2.1201
408 C A 0.0000
409 V A 0.1279
410 N A -0.4403
411 T A -0.4619
412 Q A -1.6363
413 G A -1.0809
414 S A -0.2990
415 F A 0.3827
416 L A 0.7584
417 C A -0.8941
418 Q A -1.5490
419 C A -1.5993
420 G A -1.3611
421 R A -1.9011
422 G A 0.0000
423 Y A -0.7467
424 T A -1.0935
425 G A -1.0767
426 P A -0.9907
427 R A -2.1419
428 C A 0.0000
429 E A -1.8009
430 T A 0.0000
431 D A -0.7297
432 V A -0.0876
433 N A 0.1195
434 E A -0.2366
435 C A 0.0000
436 L A 0.5829
437 S A -0.2444
438 G A -0.9004
439 P A -0.4399
440 C A -0.9267
441 R A -2.1962
442 N A -1.8992
443 Q A -1.8705
444 A A -0.7009
445 T A 0.0322
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -1.2231
450 I A 0.0555
451 G A 0.0000
452 Q A -1.4202
453 F A -0.2806
454 T A -0.1291
455 C A 0.0000
456 I A 1.3299
457 C A 0.3932
458 M A 0.1333
459 A A 0.2530
460 G A 0.0000
461 F A 0.0000
462 T A -0.0777
463 G A 0.0108
464 T A 0.3084
465 Y A 0.3326
466 C A 0.0000
467 E A -0.9842
468 V A -0.2337
469 D A -1.7456
470 I A -1.2388
471 D A -2.8146
472 E A -2.3757
473 C A -1.8694
474 Q A -2.0362
475 S A -1.1968
476 S A -0.4104
477 P A -0.0439
478 C A 0.3032
479 V A 0.5587
480 N A -0.7336
481 G A -0.2530
482 G A 0.3580
483 V A 1.2165
484 C A -0.4694
485 K A -2.1752
486 D A -3.4254
487 R A -2.7675
488 V A -0.5975
489 N A -1.4042
490 G A -1.2837
491 F A -1.3522
492 S A -0.6968
493 C A 0.1889
494 T A 0.3638
495 C A 0.3769
496 P A -0.3723
497 S A -1.0880
498 G A 0.0000
499 F A -1.1308
500 S A -0.6008
501 G A -0.5292
502 S A -0.2225
503 T A 0.0657
504 C A 0.0000
505 Q A -0.9710
506 L A -0.2828
507 D A -2.4678
508 V A -1.8559
509 D A -2.8827
510 E A -2.6311
511 C A -1.6526
512 A A -0.9769
513 S A -0.6854
514 T A -0.8799
515 P A -0.7144
516 C A 0.0000
517 R A -2.8366
518 N A -3.0145
519 G A -2.3078
520 A A -2.8364
521 K A -2.9235
522 C A 0.0000
523 V A -1.8833
524 D A -3.2534
525 Q A -2.9154
526 P A -2.6050
527 D A -2.8991
528 G A -2.1367
529 Y A -1.9992
530 E A -2.0928
531 C A -2.2406
532 R A -2.8975
533 C A -2.9838
534 A A -1.9779
535 E A -1.9182
536 G A -1.0011
537 F A -2.3821
538 E A -3.3462
539 G A -2.2368
540 T A -1.5244
541 L A -1.8261
542 C A 0.0000
543 D A -3.6569
544 R A -3.6320
545 N A -2.0391
546 V A -1.4421
547 D A -1.5154
548 D A -1.0271
549 C A -1.4008
550 S A -1.4643
551 P A -1.4796
552 D A -2.5929
553 P A -1.9755
554 C A 0.0000
555 H A -2.6418
556 H A -2.0724
557 G A -1.8309
558 R A -2.1140
559 C A 0.0000
560 V A 0.5009
561 D A -0.4523
562 G A 0.5614
563 I A 1.2941
564 A A 0.0856
565 S A 0.2258
566 F A 0.1582
567 S A -0.1147
568 C A -1.0200
569 A A -0.3886
570 C A -1.1434
571 A A -0.8648
572 P A -0.6310
573 G A -0.8170
574 Y A -1.0615
575 T A -1.0147
576 G A -1.3132
577 T A -1.0856
578 R A -2.4555
579 C A 0.0000
580 E A -2.8074
581 S A -1.8508
582 Q A -1.4932
583 V A -1.2710
584 D A -2.5044
585 E A -2.2799
586 C A -2.3105
587 R A -2.9165
588 S A -1.9304
589 Q A -2.6299
590 P A -1.5063
591 C A -1.8678
592 R A -2.9645
593 H A -1.9739
594 G A -2.2344
595 G A -2.3507
596 K A -2.8566
597 C A -1.7751
598 L A -1.0243
599 D A -1.8848
600 L A -0.0151
601 V A 0.0530
602 D A -2.0560
603 K A -1.8084
604 Y A -0.6488
605 L A 0.4497
606 C A 0.0000
607 R A -2.1039
608 C A -1.3843
609 P A -1.3339
610 S A -0.5261
611 G A -0.8951
612 T A 0.0000
613 T A -0.0663
614 G A 0.3058
615 V A 1.3390
616 N A -0.6133
617 C A 0.0000
618 E A -0.9142
619 V A 0.3449
620 N A -1.0322
621 I A -0.6318
622 D A -2.3449
623 D A -2.8240
624 C A -2.0935
625 A A -1.0889
626 S A -1.1824
627 N A -1.1690
628 P A -0.4840
629 C A 0.0027
630 T A 0.3951
631 F A 1.1257
632 G A 0.5897
633 V A 0.7601
634 C A 0.0000
635 R A -2.5353
636 D A -2.7394
637 G A -2.0790
638 I A -0.8061
639 N A -2.1866
640 R A -3.1464
641 Y A -2.6177
642 D A -2.1500
643 C A -0.1147
644 V A 1.1705
645 C A 0.7169
646 Q A -0.8122
647 P A -1.1401
648 G A -1.5562
649 F A -0.4352
650 T A 0.4184
651 G A 0.4140
652 P A 0.0199
653 L A 0.7660
654 C A 0.0000
655 N A -0.2669
656 V A 0.7143
657 E A -1.4468
658 I A -0.8583
659 N A -1.8146
660 E A -1.7776
661 C A -0.8830
662 A A -0.5846
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1998 R A -1.7206
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2248 S A -0.6599
2249 P A -1.6045
2250 E A -2.8832
2251 S A -1.7298
2252 P A -1.6786
2253 E A -2.1540
2254 H A -1.4593
2255 W A -0.6909
2256 A A -0.2047
2257 S A -0.4305
2258 P A -0.5515
2259 S A -0.6248
2260 P A -0.5335
2261 P A -0.0764
2262 S A 0.2163
2263 L A 0.9993
2264 S A 0.6342
2265 D A 0.4720
2266 W A 0.7667
2267 S A -0.3229
2268 E A -1.8050
2269 S A -1.0456
2270 T A -0.9538
2271 P A -0.6822
2272 S A -0.4987
2273 P A -0.4178
2274 A A -0.1778
2275 T A -0.1964
2276 A A -0.1526
2277 T A -0.1424
2278 G A -0.2143
2279 A A 0.3335
2280 M A 0.9683
2281 A A 0.4813
2282 T A 0.1376
2283 T A -0.1300
2284 T A -0.1644
2285 G A -0.1977
2286 A A 0.5345
2287 L A 1.2357
2288 P A 0.2164
2289 A A -0.1115
2290 Q A -0.8194
2291 P A 0.0451
2292 L A 1.4038
2293 P A 1.1913
2294 L A 2.1273
2295 S A 1.4720
2296 V A 1.8533
2297 P A 0.5701
2298 S A 0.2891
2299 S A 0.3760
2300 L A 1.1652
2301 A A 0.2635
2302 Q A -1.0748
2303 A A -1.2245
2304 Q A -1.7398
2305 T A -0.9111
2306 Q A -0.8653
2307 L A 0.6492
2308 G A -0.4476
2309 P A -0.9675
2310 Q A -1.7442
2311 P A -1.4900
2312 E A -1.3439
2313 V A 0.3710
2314 T A -0.4192
2315 P A -1.2405
2316 K A -2.9318
2317 R A -3.0527
2318 Q A -1.1722
2319 V A 1.5336
2320 L A 2.2110
2321 A A 1.0961
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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 -0.0599 6.9009 View CSV PDB
4.5 -0.1405 6.9009 View CSV PDB
5.0 -0.2383 6.9009 View CSV PDB
5.5 -0.3394 6.9009 View CSV PDB
6.0 -0.4314 6.9009 View CSV PDB
6.5 -0.5068 6.9009 View CSV PDB
7.0 -0.5657 6.9009 View CSV PDB
7.5 -0.6133 6.9009 View CSV PDB
8.0 -0.6531 6.9009 View CSV PDB
8.5 -0.6837 6.9009 View CSV PDB
9.0 -0.7016 6.9009 View CSV PDB