Project name: C76R_5

Status: done

Started: 2026-05-18 02:49:49
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERRQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:23)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:23)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:14)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9e2ce1944874511/tmp/folded.pdb                (00:18:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:32)
Show buried residues

Minimal score value
-2.5903
Maximal score value
2.369
Average score
-0.2815
Total score value
-653.3671

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 0.9361
2 G A -0.2484
3 P A -0.4257
4 G A -0.5021
5 A A -0.3774
6 R A -1.9244
7 G A -1.1585
8 R A -2.2593
9 R A -2.5869
10 R A -2.5903
11 R A -2.5235
12 R A -2.5110
13 R A -2.2120
14 P A -0.3927
15 M A 0.9690
16 S A -0.0684
17 P A -0.3383
18 P A -0.3456
19 P A -0.3460
20 P A -0.3461
21 P A -0.3459
22 P A -0.3462
23 P A 0.0220
24 V A 1.3960
25 R A -1.5159
26 A A 0.0002
27 L A 1.5126
28 P A 0.3050
29 L A 1.7874
30 L A 2.1097
31 L A 2.1068
32 L A 2.1156
33 L A 1.8428
34 A A 0.2542
35 G A -0.5017
36 P A -0.4260
37 G A -0.5030
38 A A -0.0162
39 A A 0.0755
40 A A 0.0258
41 P A -0.0974
42 P A 0.0000
43 C A 0.0000
44 L A 0.8148
45 D A -1.6674
46 G A -0.8096
47 S A -0.2523
48 P A -0.2769
49 C A 0.0000
50 A A -0.1136
51 N A -0.7994
52 G A -0.6074
53 G A -0.4654
54 R A -1.8371
55 C A -0.2513
56 T A -0.1795
57 Q A -0.8502
58 L A 0.3497
59 P A -0.1903
60 S A -0.5851
61 R A -2.2177
62 E A -2.1603
63 A A 0.0000
64 A A 0.0130
65 C A 0.0000
66 L A 1.5671
67 C A 0.3463
68 P A -0.2184
69 P A -0.3024
70 G A -0.0866
71 W A 0.0868
72 V A 0.1571
73 G A -0.4564
74 E A -1.9695
75 R A -1.1697
76 R A -0.8211
77 Q A -0.7780
78 L A -0.2235
79 E A -1.7833
80 D A -0.5819
81 P A -0.0657
82 C A -0.0780
83 H A -1.0093
84 S A -0.4778
85 G A -0.5154
86 P A -0.1301
87 C A -0.0069
88 A A -0.0062
89 G A -0.5838
90 R A -1.9013
91 G A -0.0437
92 V A 1.7836
93 C A 0.2855
94 Q A -0.9299
95 S A -0.1855
96 S A -0.0814
97 V A 1.0712
98 V A 1.9283
99 A A 0.2984
100 G A -0.4650
101 T A -0.1353
102 A A 0.0000
103 R A -1.6238
104 F A 0.2951
105 S A -0.0710
106 C A -0.2836
107 R A -1.7864
108 C A -0.1480
109 P A -0.3779
110 R A -1.8672
111 G A -0.2217
112 F A 0.9303
113 R A -0.2492
114 G A -0.2659
115 P A -0.3970
116 D A -0.6812
117 C A 0.0000
118 S A -0.0312
119 L A 0.7485
120 P A -0.0070
121 D A -0.3059
122 P A -0.0574
123 C A 0.2797
124 L A 1.0799
125 S A -0.0500
126 S A -0.2600
127 P A -0.0745
128 C A 0.0667
129 A A -0.1196
130 H A -0.8780
131 G A -0.6089
132 A A -0.4013
133 R A -1.8030
134 C A -0.1561
135 S A -0.0422
136 V A 0.7000
137 G A 0.0000
138 P A -0.5796
139 D A -1.8494
140 G A -0.6277
141 R A -1.2358
142 F A 0.2901
143 L A 0.9282
144 C A 0.2401
145 S A -0.1629
146 C A 0.1233
147 P A -0.0843
148 P A -0.2777
149 G A -0.0896
150 Y A -0.1488
151 Q A -1.2573
152 G A -1.0185
153 R A -1.8754
154 S A -0.3719
155 C A 0.0000
156 R A -1.8836
157 S A -0.6545
158 D A -0.4809
159 V A 0.2184
160 D A -0.5034
161 E A -0.8475
162 C A -0.3301
163 R A -1.4948
164 V A 1.3991
165 G A -0.2132
166 E A -1.8679
167 P A -0.3873
168 C A 0.0000
169 R A -2.0027
170 H A -1.2895
171 G A -0.6335
172 G A -0.1260
173 T A -0.0580
174 C A 0.2096
175 L A 0.3736
176 N A -0.3786
177 T A -0.1012
178 P A -0.2719
179 G A -0.1663
180 S A -0.0761
181 F A 0.0143
182 R A -1.7430
183 C A -0.4565
184 Q A -1.1392
185 C A -0.0214
186 P A -0.0572
187 A A 0.0123
188 G A -0.0589
189 Y A 0.3292
190 T A 0.0170
191 G A -0.2246
192 P A -0.2102
193 L A 0.3843
194 C A 0.0000
195 E A -0.6788
196 N A -1.3145
197 P A -0.4108
198 A A 0.2780
199 V A 1.5186
200 P A 0.0000
201 C A 0.1478
202 A A -0.0017
203 P A -0.2662
204 S A -0.1765
205 P A -0.0616
206 C A -0.2997
207 R A -1.9396
208 N A -1.2614
209 G A -0.6272
210 G A -0.1140
211 T A -0.0602
212 C A -0.2341
213 R A -2.0498
214 Q A -1.5310
215 S A -0.4225
216 G A -0.5532
217 D A -1.5443
218 L A 1.2132
219 T A 0.2573
220 Y A -0.1975
221 D A -1.7111
222 C A -0.2327
223 A A 0.0828
224 C A 0.3953
225 L A 0.8612
226 P A -0.1076
227 G A -0.2570
228 F A -0.1708
229 E A -1.8184
230 G A -0.7721
231 Q A -1.2826
232 N A -0.4545
233 C A 0.0000
234 E A -1.1972
235 V A 0.8603
236 N A 0.0275
237 V A 0.4554
238 D A -1.7749
239 D A -1.1125
240 C A -0.1059
241 P A -0.3257
242 G A -0.5962
243 H A -0.8750
244 R A -1.9139
245 C A 0.0178
246 L A 1.2152
247 N A -0.6550
248 G A -0.6137
249 G A 0.0000
250 T A -0.0542
251 C A 0.2318
252 V A 0.6980
253 D A -0.4628
254 G A 0.1401
255 V A 1.5245
256 N A -0.9698
257 T A -0.2374
258 Y A -0.0923
259 N A -1.2131
260 C A -0.3657
261 Q A -1.1449
262 C A -0.0297
263 P A -0.0612
264 P A -0.3737
265 E A -0.6209
266 W A -0.0004
267 T A -0.2588
268 G A -0.5746
269 Q A -1.2093
270 F A 0.0858
271 C A 0.0000
272 T A -0.4041
273 E A -1.8819
274 D A -0.5656
275 V A 0.0000
276 D A -1.3804
277 E A -0.3001
278 C A -0.1232
279 Q A -0.8910
280 L A 1.0852
281 Q A -0.9613
282 P A -0.7017
283 N A -1.3180
284 A A -0.2239
285 C A 0.0000
286 H A -0.4305
287 N A -0.3139
288 G A -0.5058
289 G A -0.1310
290 T A -0.0452
291 C A 0.2816
292 F A 0.7872
293 N A -0.4522
294 T A 0.0983
295 L A 1.5101
296 G A 0.1187
297 G A -0.1403
298 H A -0.4165
299 S A -0.1908
300 C A 0.2055
301 V A 0.7950
302 C A 0.4950
303 V A 0.8040
304 N A -1.0886
305 G A 0.0000
306 W A 0.0000
307 T A -0.0552
308 G A -0.4559
309 E A -1.8512
310 S A -0.3844
311 C A 0.0000
312 S A -0.3684
313 Q A -1.2808
314 N A -0.3590
315 I A 0.4994
316 D A -1.6119
317 D A -0.7520
318 C A 0.0436
319 A A 0.0667
320 T A -0.0587
321 A A 0.3375
322 V A 1.7946
323 C A 0.5893
324 F A 0.4486
325 H A -0.9628
326 G A -0.6453
327 A A -0.0593
328 T A -0.0309
329 C A 0.0939
330 H A -0.3253
331 D A -0.4881
332 R A -0.5504
333 V A 0.6046
334 A A 0.1515
335 S A -0.0486
336 F A 0.3019
337 Y A 0.5685
338 C A 0.0000
339 A A 0.0751
340 C A 0.2623
341 P A 0.1493
342 M A 1.0175
343 G A -0.0388
344 K A -0.7846
345 T A -0.1213
346 G A 0.1783
347 L A 1.5915
348 L A 0.6396
349 C A 0.0000
350 H A -0.4562
351 L A -0.2492
352 D A -1.8950
353 D A -0.8065
354 A A -0.0465
355 C A 0.3230
356 V A 1.1735
357 S A -0.2225
358 N A -1.3304
359 P A -0.3230
360 C A 0.0187
361 H A -0.5402
362 E A -2.1856
363 D A -2.1187
364 A A 0.0763
365 I A 2.0456
366 C A 0.2253
367 D A -1.7579
368 T A 0.0000
369 N A 0.0000
370 P A 0.0690
371 V A 0.5361
372 N A -1.1551
373 G A -0.7036
374 R A -1.8691
375 A A 0.0000
376 I A 0.8196
377 C A 0.2381
378 T A -0.0187
379 C A 0.1863
380 P A 0.0000
381 P A -0.2639
382 G A -0.0366
383 F A 0.1583
384 T A -0.0621
385 G A -0.4610
386 G A -0.5305
387 A A -0.0539
388 C A 0.0000
389 D A -2.0086
390 Q A -1.6046
391 D A -0.5657
392 V A 0.0319
393 D A -0.9267
394 E A -0.4499
395 C A 0.0599
396 S A 0.1825
397 I A 1.8869
398 G A -0.0832
399 A A -0.2303
400 N A -1.0359
401 P A -0.2180
402 C A 0.0000
403 E A -0.7155
404 H A -0.2936
405 L A 1.4650
406 G A 0.0000
407 R A -1.9699
408 C A 0.0000
409 V A 0.5331
410 N A -0.1666
411 T A -0.2503
412 Q A -1.2155
413 G A -0.3207
414 S A -0.0515
415 F A 0.7383
416 L A 1.3105
417 C A 0.0696
418 Q A -1.3356
419 C A -0.0453
420 G A -0.5742
421 R A -1.9046
422 G A -0.1581
423 Y A -0.0627
424 T A -0.0407
425 G A -0.2145
426 P A -0.5716
427 R A -1.6560
428 C A 0.0000
429 E A -1.3532
430 T A -0.6207
431 D A -1.6618
432 V A 0.1745
433 N A -0.6824
434 E A -0.8674
435 C A 0.2454
436 L A 1.5283
437 S A -0.0153
438 G A -0.5128
439 P A -0.1119
440 C A -0.1585
441 R A -1.9409
442 N A -1.1665
443 Q A -1.3071
444 A A -0.2013
445 T A -0.0426
446 C A 0.2638
447 L A 0.5880
448 D A -0.8422
449 R A -1.5716
450 I A 1.5057
451 G A 0.0000
452 Q A -1.1352
453 F A 0.0243
454 T A 0.0280
455 C A 0.3118
456 I A 1.2966
457 C A 0.5256
458 M A 0.5609
459 A A 0.1540
460 G A 0.0000
461 F A -0.0279
462 T A -0.0477
463 G A -0.2598
464 T A 0.0300
465 Y A 0.7913
466 C A 0.0000
467 E A -0.5027
468 V A 0.6856
469 D A -1.4068
470 I A 0.1173
471 D A -1.7983
472 E A -1.2805
473 C A -0.2905
474 Q A -1.2194
475 S A -0.4704
476 S A -0.2595
477 P A -0.0711
478 C A 0.2492
479 V A 0.8689
480 N A -0.8173
481 G A -0.6428
482 G A 0.2037
483 V A 1.7880
484 C A 0.2266
485 K A -1.6858
486 D A -2.3022
487 R A -1.7840
488 V A 1.2035
489 N A -0.9676
490 G A -0.2245
491 F A 0.1521
492 S A 0.0911
493 C A 0.1001
494 T A -0.0002
495 C A 0.1424
496 P A -0.1111
497 S A -0.2434
498 G A -0.3685
499 F A -0.0017
500 S A 0.0181
501 G A -0.4019
502 S A -0.2780
503 T A -0.0415
504 C A 0.0000
505 Q A -0.9667
506 L A 0.6999
507 D A -1.4037
508 V A -0.0149
509 D A -1.8119
510 E A -1.2306
511 C A -0.0631
512 A A 0.0368
513 S A -0.2149
514 T A -0.1165
515 P A -0.0552
516 C A 0.0000
517 R A -1.9094
518 N A -0.7774
519 G A -0.5283
520 A A -0.3574
521 K A -1.6855
522 C A -0.1608
523 V A 0.1372
524 D A -1.4923
525 Q A -1.1212
526 P A -0.7229
527 D A -1.8660
528 G A -0.4278
529 Y A -0.0705
530 E A -1.7164
531 C A -0.5715
532 R A -1.7816
533 C A -0.0939
534 A A -0.2615
535 E A -1.8264
536 G A -0.3504
537 F A -0.1831
538 E A -1.4803
539 G A -0.7387
540 T A -0.0333
541 L A 0.6632
542 C A 0.0000
543 D A -2.1225
544 R A -2.3277
545 N A -1.0434
546 V A 0.2687
547 D A -1.7823
548 D A -1.0224
549 C A -0.2696
550 S A -0.2651
551 P A -0.6303
552 D A -1.8284
553 P A -0.3493
554 C A 0.0000
555 H A -1.0678
556 H A -0.6333
557 G A -0.5044
558 R A -1.8516
559 C A -0.0402
560 V A 0.7346
561 D A -1.5481
562 G A -0.1483
563 I A 1.9859
564 A A 0.3515
565 S A -0.0608
566 F A 0.3775
567 S A -0.0737
568 C A 0.0729
569 A A 0.1075
570 C A 0.2706
571 A A 0.0317
572 P A -0.2607
573 G A -0.2638
574 Y A 0.1166
575 T A -0.0413
576 G A -0.2803
577 T A -0.3048
578 R A -1.0577
579 C A 0.0000
580 E A -1.4159
581 S A -0.5845
582 Q A -1.0940
583 V A 0.1085
584 D A -0.8526
585 E A -0.5230
586 C A -0.3105
587 R A -1.8672
588 S A -0.7648
589 Q A -1.2434
590 P A -0.2448
591 C A -0.3142
592 R A -1.8942
593 H A -0.7672
594 G A -0.5381
595 G A -0.4121
596 K A -1.6965
597 C A -0.1819
598 L A -0.0101
599 D A -1.5313
600 L A 0.7220
601 V A 1.6109
602 D A -1.7799
603 K A -1.8664
604 Y A -0.0123
605 L A 1.0128
606 C A 0.0000
607 R A -1.7958
608 C A -0.0929
609 P A -0.0886
610 S A -0.2419
611 G A -0.2624
612 T A 0.0000
613 T A -0.0905
614 G A 0.0767
615 V A 1.6753
616 N A 0.0303
617 C A 0.0000
618 E A -0.3035
619 V A 1.0037
620 N A -0.1583
621 I A 1.4496
622 D A -1.5913
623 D A -1.1603
624 C A -0.0669
625 A A 0.0343
626 S A -0.4263
627 N A -1.3205
628 P A -0.2699
629 C A 0.1256
630 T A 0.1101
631 F A 0.9111
632 G A 0.4054
633 V A 1.6064
634 C A 0.0657
635 R A -1.9474
636 D A -0.9243
637 G A -0.2699
638 I A 0.4510
639 N A -1.4866
640 R A -1.9648
641 Y A -0.1102
642 D A -1.6705
643 C A 0.0000
644 V A 0.5657
645 C A 0.0096
646 Q A -1.2170
647 P A -0.6446
648 G A -0.2514
649 F A 0.0219
650 T A -0.0088
651 G A -0.2071
652 P A -0.1702
653 L A 0.5912
654 C A 0.0000
655 N A -0.9653
656 V A 1.1938
657 E A -1.2690
658 I A 0.5623
659 N A -1.1206
660 E A -0.5202
661 C A 0.0599
662 A A 0.0394
663 S A -0.2408
664 S A -0.2649
665 P A -0.0999
666 C A 0.0379
667 G A -0.4866
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1936 D A 0.0000
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1950 N A -0.3213
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1952 V A 0.0805
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1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5129
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1967 M A -0.1156
1968 Q A -1.1374
1969 D A 0.0000
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1971 K A -1.0910
1972 E A -1.8870
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
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.4620
1982 E A -1.3093
1983 G A -0.3812
1984 S A 0.0000
1985 Y A 0.0729
1986 E A -0.8625
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.7509
1990 L A -0.1061
1991 L A 0.0000
1992 L A -0.0447
1993 D A -1.7961
1994 H A -0.4797
1995 F A 0.9214
1996 A A 0.0000
1997 N A -0.6046
1998 R A -0.7438
1999 E A -1.8139
2000 I A 0.0175
2001 T A -0.1541
2002 D A 0.0000
2003 H A -0.8143
2004 L A 0.2672
2005 D A -1.7419
2006 R A -0.7365
2007 L A 0.2714
2008 P A 0.0000
2009 R A -1.0002
2010 D A -0.9382
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.1204
2014 E A -1.5767
2015 R A -0.4162
2016 L A 0.2795
2017 H A -0.2850
2018 Q A -1.3479
2019 D A -0.8852
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2021 V A 0.0000
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2268 E A -1.8973
2269 S A -0.5567
2270 T A -0.1342
2271 P A -0.1872
2272 S A -0.2555
2273 P A -0.1780
2274 A A 0.0276
2275 T A -0.0499
2276 A A 0.0324
2277 T A -0.1457
2278 G A -0.4687
2279 A A 0.1641
2280 M A 1.0747
2281 A A 0.2468
2282 T A -0.0306
2283 T A -0.0890
2284 T A -0.1689
2285 G A -0.4685
2286 A A 0.2536
2287 L A 1.5121
2288 P A 0.0366
2289 A A -0.2060
2290 Q A -1.2342
2291 P A -0.1914
2292 L A 1.4552
2293 P A 0.3081
2294 L A 1.4615
2295 S A 0.4011
2296 V A 1.6865
2297 P A 0.0307
2298 S A -0.3029
2299 S A 0.0359
2300 L A 1.5191
2301 A A 0.1396
2302 Q A -1.1739
2303 A A -0.4385
2304 Q A -1.2041
2305 T A -0.5674
2306 Q A -0.8952
2307 L A 1.2184
2308 G A -0.2473
2309 P A -0.6039
2310 Q A -1.2971
2311 P A -0.9074
2312 E A -1.5466
2313 V A 1.4163
2314 T A 0.2478
2315 P A -0.6659
2316 K A -2.0975
2317 R A -2.4465
2318 Q A -1.3241
2319 V A 1.9153
2320 L A 1.9711
2321 A A 0.3491
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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 -0.003 5.1716 View CSV PDB
4.5 -0.0352 5.1716 View CSV PDB
5.0 -0.0742 5.1716 View CSV PDB
5.5 -0.1145 5.1716 View CSV PDB
6.0 -0.1508 5.1716 View CSV PDB
6.5 -0.1801 5.1716 View CSV PDB
7.0 -0.2023 5.1716 View CSV PDB
7.5 -0.2197 5.1716 View CSV PDB
8.0 -0.234 5.1716 View CSV PDB
8.5 -0.2447 5.1716 View CSV PDB
9.0 -0.2506 5.1716 View CSV PDB