Project name: R587C_5

Status: done

Started: 2026-05-22 01:13:41
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECCSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:54)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:54)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:17)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9e6caa935452cd9/tmp/folded.pdb                (00:33:17)
[INFO]       Main:     Simulation completed successfully.                                          (01:23:54)
Show buried residues

Minimal score value
-2.6254
Maximal score value
2.4845
Average score
-0.2772
Total score value
-643.3975

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 0.9517
2 G A -0.2857
3 P A -0.4298
4 G A -0.5017
5 A A -0.3733
6 R A -1.9468
7 G A -1.2493
8 R A -2.3690
9 R A -2.6254
10 R A -2.5156
11 R A -2.5046
12 R A -2.5118
13 R A -2.2281
14 P A -0.3930
15 M A 0.9672
16 S A -0.0661
17 P A -0.3400
18 P A -0.3475
19 P A -0.3473
20 P A -0.3476
21 P A -0.3476
22 P A -0.3473
23 P A 0.0272
24 V A 1.3859
25 R A -1.5066
26 A A 0.0039
27 L A 1.5118
28 P A 0.3240
29 L A 1.7943
30 L A 2.1380
31 L A 2.1413
32 L A 2.1412
33 L A 1.8542
34 A A 0.2730
35 G A -0.5023
36 P A -0.4275
37 G A -0.5030
38 A A -0.0166
39 A A 0.0759
40 A A 0.0329
41 P A -0.0708
42 P A -0.0472
43 C A 0.3373
44 L A 1.3279
45 D A -1.0048
46 G A -0.6928
47 S A -0.1891
48 P A -0.2508
49 C A -0.0426
50 A A -0.1295
51 N A -0.9878
52 G A -0.6412
53 G A -0.4450
54 R A -1.8328
55 C A -0.2233
56 T A -0.2209
57 Q A -1.1048
58 L A 0.2597
59 P A -0.1987
60 S A -0.5856
61 R A -2.2163
62 E A -2.1588
63 A A 0.0000
64 A A 0.0121
65 C A 0.0000
66 L A 1.5886
67 C A 0.4875
68 P A -0.0721
69 P A -0.2790
70 G A -0.0898
71 W A 0.0511
72 V A 0.2831
73 G A -0.3592
74 E A -1.9482
75 R A -0.9608
76 C A 0.0000
77 Q A -0.6393
78 L A -0.2006
79 E A -1.7833
80 D A -0.5834
81 P A -0.0701
82 C A -0.0816
83 H A -1.0098
84 S A -0.4765
85 G A -0.5154
86 P A -0.1311
87 C A -0.0381
88 A A -0.0254
89 G A -0.6769
90 R A -1.9176
91 G A -0.0545
92 V A 1.7105
93 C A 0.3414
94 Q A -0.5233
95 S A -0.1250
96 S A -0.0922
97 V A 0.9649
98 V A 1.8381
99 A A 0.2847
100 G A -0.4647
101 T A -0.1335
102 A A 0.0000
103 R A -1.7004
104 F A 0.1730
105 S A -0.0924
106 C A -0.2833
107 R A -1.7857
108 C A -0.1337
109 P A -0.3311
110 R A -1.8642
111 G A -0.2755
112 F A 0.8991
113 R A -0.2111
114 G A -0.3460
115 P A -0.4833
116 D A -1.0674
117 C A 0.0000
118 S A -0.0213
119 L A 0.9677
120 P A -0.0053
121 D A -0.4840
122 P A -0.1058
123 C A 0.2131
124 L A 0.5874
125 S A -0.1403
126 S A -0.2556
127 P A -0.0501
128 C A 0.0745
129 A A -0.1109
130 H A -0.8073
131 G A -0.3923
132 A A -0.3510
133 R A -1.8048
134 C A -0.1667
135 S A -0.0499
136 V A 0.5886
137 G A 0.0194
138 P A -0.5245
139 D A -1.5182
140 G A -0.7416
141 R A -1.8228
142 F A 0.1721
143 L A 1.0447
144 C A 0.2641
145 S A -0.1472
146 C A 0.2058
147 P A -0.0685
148 P A -0.2864
149 G A -0.1018
150 Y A -0.1735
151 Q A -1.2572
152 G A -1.0308
153 R A -1.9344
154 S A -0.3456
155 C A 0.0000
156 R A -1.8823
157 S A -0.6747
158 D A -0.6342
159 V A 0.0482
160 D A -1.2617
161 E A -1.3371
162 C A -0.4432
163 R A -1.5040
164 V A 1.4142
165 G A -0.1345
166 E A -1.8504
167 P A -0.3594
168 C A -0.1609
169 R A -1.5873
170 H A -1.2883
171 G A -0.6482
172 G A -0.1209
173 T A -0.0562
174 C A 0.2371
175 L A 0.5329
176 N A -0.3554
177 T A -0.1024
178 P A -0.2765
179 G A -0.2059
180 S A -0.1145
181 F A 0.0012
182 R A -1.7459
183 C A -0.4552
184 Q A -1.1393
185 C A -0.0223
186 P A -0.0519
187 A A 0.0230
188 G A -0.0070
189 Y A 0.3289
190 T A -0.0041
191 G A -0.2065
192 P A -0.2183
193 L A 0.3226
194 C A 0.0000
195 E A -0.9667
196 N A -1.3131
197 P A -0.3993
198 A A 0.2788
199 V A 1.4908
200 P A 0.2732
201 C A 0.1447
202 A A -0.0012
203 P A -0.2679
204 S A -0.1900
205 P A -0.0939
206 C A 0.0000
207 R A -1.9805
208 N A -1.1679
209 G A -0.6091
210 G A -0.1140
211 T A -0.0598
212 C A -0.2295
213 R A -2.0412
214 Q A -1.4868
215 S A -0.4190
216 G A -0.5745
217 D A -1.5798
218 L A 1.0399
219 T A 0.2237
220 Y A -0.2026
221 D A -1.7097
222 C A -0.2087
223 A A 0.0950
224 C A 0.3955
225 L A 0.8188
226 P A -0.1165
227 G A -0.2235
228 F A -0.2551
229 E A -1.8297
230 G A -0.8254
231 Q A -1.2866
232 N A -0.4295
233 C A 0.0000
234 E A -0.3579
235 V A 0.7181
236 N A -0.5582
237 V A 0.6331
238 D A -1.7729
239 D A -1.3947
240 C A -0.1595
241 P A -0.3259
242 G A -0.5944
243 H A -0.8670
244 R A -1.9253
245 C A 0.0000
246 L A 1.1884
247 N A -0.6634
248 G A -0.6153
249 G A 0.0000
250 T A -0.0545
251 C A 0.2641
252 V A 0.9194
253 D A -0.2065
254 G A 0.1517
255 V A 1.5194
256 N A -0.9691
257 T A -0.2496
258 Y A -0.0595
259 N A -1.2112
260 C A -0.3587
261 Q A -1.1538
262 C A -0.0829
263 P A -0.0683
264 P A -0.3863
265 E A -0.7009
266 W A -0.0247
267 T A -0.0750
268 G A -0.5642
269 Q A -1.2044
270 F A 0.0945
271 C A 0.0000
272 T A -0.4037
273 E A -1.8876
274 D A -0.5841
275 V A 0.0455
276 D A -0.3938
277 E A 0.0000
278 C A -0.0946
279 Q A -0.8937
280 L A 1.1120
281 Q A -0.9638
282 P A -0.6998
283 N A -1.3177
284 A A -0.2222
285 C A 0.0000
286 H A -0.9472
287 N A -1.0631
288 G A -0.6279
289 G A -0.1327
290 T A -0.0440
291 C A 0.4932
292 F A 1.8462
293 N A -0.3485
294 T A 0.0547
295 L A 1.5049
296 G A 0.1041
297 G A -0.1839
298 H A -0.5876
299 S A -0.2687
300 C A 0.3977
301 V A 1.8229
302 C A 0.7691
303 V A 1.2687
304 N A -1.0035
305 G A 0.0000
306 W A 0.1253
307 T A -0.0309
308 G A -0.5334
309 E A -1.8691
310 S A -0.4034
311 C A 0.0000
312 S A -0.4307
313 Q A -1.3069
314 N A -0.4044
315 I A 0.5608
316 D A -1.7217
317 D A -0.9081
318 C A 0.0201
319 A A 0.0670
320 T A -0.0587
321 A A 0.3335
322 V A 1.7978
323 C A 0.6875
324 F A 0.9539
325 H A -0.8720
326 G A -0.6447
327 A A -0.0598
328 T A -0.0363
329 C A 0.0628
330 H A -0.4870
331 D A -0.7983
332 R A -1.6207
333 V A 1.3053
334 A A 0.2985
335 S A -0.0638
336 F A 0.4948
337 Y A 1.0857
338 C A 0.0000
339 A A 0.0733
340 C A 0.2600
341 P A 0.1457
342 M A 1.0227
343 G A 0.0179
344 K A -0.6762
345 T A -0.0930
346 G A 0.1860
347 L A 1.5883
348 L A 0.5748
349 C A 0.0000
350 H A -0.4151
351 L A -0.1654
352 D A -1.8501
353 D A -0.6899
354 A A -0.0265
355 C A 0.3844
356 V A 1.5678
357 S A -0.1514
358 N A -1.3320
359 P A -0.3307
360 C A 0.0262
361 H A -0.5143
362 E A -2.1793
363 D A -2.1170
364 A A 0.0765
365 I A 2.0431
366 C A 0.2116
367 D A -1.7606
368 T A 0.0000
369 N A -0.2843
370 P A 0.0416
371 V A 1.5519
372 N A -0.6888
373 G A -0.5871
374 R A -1.8545
375 A A -0.0848
376 I A 1.3392
377 C A 0.3405
378 T A -0.0115
379 C A 0.1750
380 P A -0.0474
381 P A -0.2698
382 G A -0.0218
383 F A 0.2140
384 T A -0.0604
385 G A -0.4831
386 G A -0.5341
387 A A -0.0521
388 C A 0.0000
389 D A -2.0072
390 Q A -1.5830
391 D A -0.4539
392 V A 0.0247
393 D A -1.1580
394 E A -0.4038
395 C A 0.1286
396 S A 0.1898
397 I A 1.8874
398 G A -0.0819
399 A A -0.2255
400 N A -1.0735
401 P A -0.2301
402 C A 0.0000
403 E A -1.3550
404 H A -0.2758
405 L A 1.4909
406 G A 0.0000
407 R A -1.9686
408 C A 0.0000
409 V A 0.5447
410 N A -0.2461
411 T A -0.2836
412 Q A -1.2172
413 G A -0.3075
414 S A -0.0358
415 F A 0.7615
416 L A 1.6117
417 C A 0.1258
418 Q A -1.3310
419 C A -0.0247
420 G A -0.5456
421 R A -1.9006
422 G A -0.1543
423 Y A -0.0016
424 T A -0.0460
425 G A -0.2171
426 P A -0.4442
427 R A -0.9439
428 C A 0.0000
429 E A -1.4778
430 T A -0.5360
431 D A -1.0717
432 V A 0.3526
433 N A -0.6771
434 E A -0.8863
435 C A 0.2552
436 L A 1.5305
437 S A -0.0161
438 G A -0.5110
439 P A -0.1023
440 C A -0.1628
441 R A -1.9631
442 N A -1.2991
443 Q A -1.3315
444 A A -0.2006
445 T A -0.0407
446 C A 0.2631
447 L A 0.5639
448 D A -0.5894
449 R A -1.5452
450 I A 1.6641
451 G A 0.0000
452 Q A -1.1289
453 F A 0.0902
454 T A 0.0294
455 C A 0.3937
456 I A 1.7544
457 C A 0.6247
458 M A 0.6121
459 A A 0.1528
460 G A -0.2302
461 F A -0.0182
462 T A -0.0454
463 G A -0.2802
464 T A 0.0070
465 Y A 0.6878
466 C A 0.0000
467 E A -0.5547
468 V A 0.7388
469 D A -1.3935
470 I A 0.1621
471 D A -1.6112
472 E A -1.2344
473 C A -0.2868
474 Q A -1.2183
475 S A -0.4674
476 S A -0.2593
477 P A -0.0717
478 C A 0.2455
479 V A 0.8939
480 N A -0.7683
481 G A -0.6346
482 G A 0.2083
483 V A 1.7876
484 C A 0.2182
485 K A -1.7478
486 D A -2.3133
487 R A -1.8447
488 V A 1.2068
489 N A -0.9806
490 G A -0.2266
491 F A 0.3751
492 S A 0.0906
493 C A 0.1023
494 T A 0.0008
495 C A 0.1534
496 P A -0.1168
497 S A -0.2481
498 G A -0.3317
499 F A 0.0310
500 S A -0.1104
501 G A -0.4011
502 S A -0.2774
503 T A -0.0417
504 C A 0.0000
505 Q A -0.9646
506 L A 0.7218
507 D A -1.3272
508 V A 0.3877
509 D A -1.7004
510 E A -1.4782
511 C A -0.1132
512 A A 0.0361
513 S A -0.2148
514 T A -0.1156
515 P A -0.0513
516 C A 0.0000
517 R A -2.0103
518 N A -1.3280
519 G A -0.6264
520 A A -0.3554
521 K A -1.6853
522 C A -0.1415
523 V A 0.2169
524 D A -1.6337
525 Q A -1.4037
526 P A -0.7685
527 D A -1.8686
528 G A -0.4396
529 Y A 0.0539
530 E A -1.6401
531 C A -0.5608
532 R A -1.7797
533 C A -0.0753
534 A A -0.2629
535 E A -1.8291
536 G A -0.3596
537 F A -0.2045
538 E A -1.7526
539 G A -0.7114
540 T A -0.0544
541 L A 0.4690
542 C A 0.0000
543 D A -2.1219
544 R A -2.2802
545 N A -0.7543
546 V A 0.5270
547 D A -1.7489
548 D A -1.0572
549 C A -0.2615
550 S A -0.2631
551 P A -0.6279
552 D A -1.8297
553 P A -0.3376
554 C A -0.2028
555 H A -1.0680
556 H A -0.7080
557 G A -0.5152
558 R A -1.8670
559 C A 0.0000
560 V A 1.1825
561 D A -1.3152
562 G A -0.1032
563 I A 1.9903
564 A A 0.3569
565 S A -0.0864
566 F A 0.2312
567 S A -0.1058
568 C A 0.0569
569 A A 0.1086
570 C A 0.2418
571 A A 0.0142
572 P A -0.2598
573 G A -0.3540
574 Y A 0.0354
575 T A -0.0537
576 G A -0.2908
577 T A -0.2656
578 R A -0.8179
579 C A 0.0000
580 E A -1.7870
581 S A -0.6621
582 Q A -1.0784
583 V A 0.1702
584 D A -1.2829
585 E A -0.7816
586 C A 0.1046
587 C A 0.7060
588 S A -0.2949
589 Q A -1.2427
590 P A -0.2502
591 C A 0.0000
592 R A -1.8532
593 H A -0.7699
594 G A -0.5302
595 G A 0.0000
596 K A -1.7000
597 C A 0.0000
598 L A 0.1096
599 D A -1.5673
600 L A 0.4397
601 V A 1.5521
602 D A -1.7245
603 K A -1.5859
604 Y A 0.0439
605 L A 1.1833
606 C A -0.0316
607 R A -1.7758
608 C A -0.0850
609 P A -0.1118
610 S A -0.2727
611 G A -0.2479
612 T A -0.0746
613 T A -0.0936
614 G A 0.0895
615 V A 1.6872
616 N A 0.0676
617 C A 0.0000
618 E A -0.4050
619 V A 0.8996
620 N A 0.3771
621 I A 1.6541
622 D A -1.6074
623 D A -1.3272
624 C A 0.0000
625 A A 0.0200
626 S A -0.4207
627 N A -1.3187
628 P A -0.2668
629 C A 0.1374
630 T A 0.1490
631 F A 1.1439
632 G A 0.5083
633 V A 1.7848
634 C A 0.1456
635 R A -1.9471
636 D A -0.9329
637 G A -0.2514
638 I A 0.9709
639 N A -1.3750
640 R A -1.9271
641 Y A 0.1147
642 D A -1.6237
643 C A -0.1018
644 V A 0.7163
645 C A 0.0803
646 Q A -1.1502
647 P A -0.4703
648 G A -0.2580
649 F A -0.0475
650 T A -0.0274
651 G A -0.1891
652 P A -0.1452
653 L A 0.7088
654 C A 0.0000
655 N A -0.9747
656 V A 0.8430
657 E A -1.3550
658 I A 0.4682
659 N A -1.2675
660 E A -1.2320
661 C A -0.0464
662 A A 0.0432
663 S A -0.2398
664 S A -0.2603
665 P A -0.0796
666 C A 0.0504
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1950 N A -0.3697
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1952 V A 0.1186
1953 E A -1.7333
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4894
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1967 M A -0.0806
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1969 D A 0.0000
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1971 K A -1.4016
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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
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -0.5252
1982 E A -0.3026
1983 G A -0.1745
1984 S A 0.0000
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1986 E A -1.1320
1987 A A 0.0000
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1989 K A -1.0296
1990 L A 0.0218
1991 L A 0.0000
1992 L A 0.0743
1993 D A -1.8135
1994 H A -0.2949
1995 F A 1.9045
1996 A A 0.0000
1997 N A -0.7992
1998 R A -0.8108
1999 E A -1.8266
2000 I A -0.0178
2001 T A -0.0588
2002 D A 0.0000
2003 H A -0.7324
2004 L A -0.0047
2005 D A -1.0445
2006 R A -0.3422
2007 L A 0.2944
2008 P A 0.0000
2009 R A -1.2169
2010 D A -0.5891
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -0.8301
2015 R A -0.3041
2016 L A 1.3584
2017 H A -0.0766
2018 Q A -1.3803
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2266 W A 0.8035
2267 S A -0.3214
2268 E A -1.9115
2269 S A -0.6657
2270 T A -0.1624
2271 P A -0.3190
2272 S A -0.3280
2273 P A -0.2883
2274 A A -0.0089
2275 T A -0.0459
2276 A A 0.0290
2277 T A -0.1788
2278 G A -0.4737
2279 A A 0.2215
2280 M A 1.0783
2281 A A 0.2458
2282 T A -0.0754
2283 T A -0.0996
2284 T A -0.2020
2285 G A -0.4738
2286 A A 0.3204
2287 L A 1.5097
2288 P A 0.0665
2289 A A -0.2154
2290 Q A -1.2440
2291 P A -0.2185
2292 L A 1.4500
2293 P A 0.3214
2294 L A 1.4568
2295 S A 0.4608
2296 V A 1.6795
2297 P A 0.0500
2298 S A -0.3091
2299 S A 0.1277
2300 L A 1.5064
2301 A A 0.0761
2302 Q A -1.1739
2303 A A -0.3895
2304 Q A -1.2022
2305 T A -0.5428
2306 Q A -0.9009
2307 L A 1.2207
2308 G A -0.2261
2309 P A -0.5720
2310 Q A -1.3018
2311 P A -0.8464
2312 E A -1.5130
2313 V A 1.3963
2314 T A 0.2278
2315 P A -0.4776
2316 K A -2.0651
2317 R A -2.3875
2318 Q A -1.1523
2319 V A 1.7872
2320 L A 1.8847
2321 A A 0.3546
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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 -0.0056 4.6635 View CSV PDB
4.5 -0.0374 4.6635 View CSV PDB
5.0 -0.0763 4.6635 View CSV PDB
5.5 -0.1164 4.6635 View CSV PDB
6.0 -0.1526 4.6635 View CSV PDB
6.5 -0.1818 4.6635 View CSV PDB
7.0 -0.2039 4.6635 View CSV PDB
7.5 -0.2213 4.6635 View CSV PDB
8.0 -0.2356 4.6635 View CSV PDB
8.5 -0.2464 4.6635 View CSV PDB
9.0 -0.2525 4.6635 View CSV PDB