Project name: f29e8876965b15c

Chain sequence(s)	A: MAGLTAAAPRPGVLLLLLSILHPSRPGGVPGAIPGGVPGGVFYPGAGLGALGGGALGPGGKPLKPVPGGLAGAGLGAGLGAFPAVTFPGALVPGGVADAAAAYKAAKAGAGLGGVPGVGGLGVSAGAVVPQPGAGVKPGKVPGVGLPGVYPGGVLPGARFPGVGVLPGVPTGAGVKPKAPGVGGAFAGIPGVGPFGGPQPGVPLGYPIKAPKLPGGYGLPYTTGKLPYGYGPGGVAGAAGKAGYPTGTGVGPQAAAAAAAKAAAKFGAGAAGVLPGVGGAGVPGVPGAIPGIGGIAGVGTPAAAAAAAAAAKAAKYGAAAGLVPGGPGFGPGVVGVPGAGVPGVGVPGAGIPVVPGAGIPGAAVPGVVSPEAAAKAAAKAAKYGARPGVGVGGIPTYGVGAGGFPGFGVGVGGIPGVAGVPGVGGVPGVGGVPGVGISPEAQAAAAAKAAKYGAAGAGVLGGLVPGAPGAVPGVPGTGGVPGVGTPAAAAAKAAAKAAQFGLVPGVGVAPGVGVAPGVGVAPGVGLAPGVGVAPGVGVAPGVGVAPGIGPGGVAAAAKSAAKVAAKAQLRAAAGLGAGIPGLGVGVGVPGLGVGAGVPGLGVGAGVPGFGAGADEGVRRSLSPELREGDPSSSQHLPSTPSSPRVPGALAAAKAAKYGAAVPGVLGGLGALGGVGIPGGVVGAGPAAAAAAAKAAAKAAQFGLVGAAGLGGLGVGGLGVPGVGGLGGIPPAAAAKAAKYGAAGLGGVLGGAGQFPLGGVAARPGFGLSPIFPGGACLGKACGRKRK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	Yes
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

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 partially or entirely disordered. Average score is   
                       recommended for pH analysis.                                                (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:06)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:21)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/f29e8876965b15c/tmp/folded.pdb                (00:02:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:42)

• Minimal score value: -4.1124
• Maximal score value: 4.5173
• Average score: 0.3769
• Total score value: 296.2527

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	1.1377
2	A	A	0.7790
3	G	A	0.5448
4	L	A	1.4289
5	T	A	0.6120
6	A	A	0.3435
7	A	A	-0.2989
8	A	A	-0.6539
9	P	A	-0.9058
10	R	A	-1.1670
11	P	A	0.2603
12	G	A	1.3477
13	V	A	2.9899
14	L	A	3.4812
15	L	A	3.9285
16	L	A	4.5173
17	L	A	4.2660
18	L	A	3.7051
19	S	A	2.9358
20	I	A	3.4480
21	L	A	2.5621
22	H	A	0.0161
23	P	A	-0.5809
24	S	A	-1.4623
25	R	A	-2.4814
26	P	A	-1.3834
27	G	A	-0.9729
28	G	A	-0.1430
29	V	A	1.1826
30	P	A	0.2623
31	G	A	0.3462
32	A	A	0.8208
33	I	A	1.6283
34	P	A	0.5790
35	G	A	0.0897
36	G	A	0.3644
37	V	A	1.0817
38	P	A	0.5378
39	G	A	0.0258
40	G	A	1.0093
41	V	A	2.5743
42	F	A	3.2548
43	Y	A	2.4628
44	P	A	0.9404
45	G	A	0.1142
46	A	A	0.0045
47	G	A	0.1721
48	L	A	1.1289
49	G	A	0.5443
50	A	A	0.7318
51	L	A	1.3486
52	G	A	0.0558
53	G	A	-0.6378
54	G	A	-0.5121
55	A	A	0.3746
56	L	A	1.2054
57	G	A	0.0250
58	P	A	-0.4875
59	G	A	-1.3768
60	G	A	-1.7344
61	K	A	-1.9777
62	P	A	-0.9899
63	L	A	0.0101
64	K	A	-0.8838
65	P	A	0.0623
66	V	A	1.1230
67	P	A	0.2010
68	G	A	-0.1822
69	G	A	-0.0328
70	L	A	1.1457
71	A	A	0.5004
72	G	A	0.0058
73	A	A	0.0536
74	G	A	0.0952
75	L	A	1.0260
76	G	A	0.2454
77	A	A	0.1242
78	G	A	0.2463
79	L	A	1.0730
80	G	A	0.6042
81	A	A	0.9754
82	F	A	1.9254
83	P	A	1.2804
84	A	A	1.4852
85	V	A	2.3255
86	T	A	1.7024
87	F	A	2.0255
88	P	A	0.6500
89	G	A	0.4526
90	A	A	1.1516
91	L	A	2.3116
92	V	A	2.2712
93	P	A	0.6165
94	G	A	0.1557
95	G	A	0.3305
96	V	A	1.1070
97	A	A	-0.1933
98	D	A	-1.3420
99	A	A	-0.7251
100	A	A	-0.2519
101	A	A	0.4020
102	A	A	0.4025
103	Y	A	0.5494
104	K	A	-1.0143
105	A	A	-0.8581
106	A	A	-1.2352
107	K	A	-1.7217
108	A	A	-1.0136
109	G	A	-0.6681
110	A	A	-0.2544
111	G	A	0.1534
112	L	A	1.0576
113	G	A	0.4844
114	G	A	0.3476
115	V	A	1.3568
116	P	A	0.7359
117	G	A	0.4575
118	V	A	1.1701
119	G	A	0.3367
120	G	A	0.2389
121	L	A	1.3954
122	G	A	0.9038
123	V	A	1.7646
124	S	A	0.4411
125	A	A	0.0993
126	G	A	0.3739
127	A	A	1.3377
128	V	A	2.4961
129	V	A	2.1132
130	P	A	0.4277
131	Q	A	-1.1506
132	P	A	-1.0922
133	G	A	-1.0394
134	A	A	-0.2199
135	G	A	-0.1045
136	V	A	0.6880
137	K	A	-1.1776
138	P	A	-1.4030
139	G	A	-1.3902
140	K	A	-1.2210
141	V	A	0.6104
142	P	A	0.3525
143	G	A	0.6126
144	V	A	1.5895
145	G	A	1.1945
146	L	A	1.7959
147	P	A	1.1490
148	G	A	1.1292
149	V	A	2.2252
150	Y	A	1.9563
151	P	A	0.3707
152	G	A	-0.2027
153	G	A	0.3497
154	V	A	2.0941
155	L	A	2.0951
156	P	A	0.7987
157	G	A	-0.4580
158	A	A	-0.6083
159	R	A	-1.0928
160	F	A	1.0025
161	P	A	0.5877
162	G	A	0.4612
163	V	A	1.8228
164	G	A	1.5239
165	V	A	2.5452
166	L	A	2.0879
167	P	A	0.9745
168	G	A	0.6897
169	V	A	1.3647
170	P	A	0.3191
171	T	A	-0.1033
172	G	A	-0.4460
173	A	A	-0.0135
174	G	A	0.0962
175	V	A	0.6041
176	K	A	-1.4529
177	P	A	-1.5060
178	K	A	-2.2313
179	A	A	-1.0574
180	P	A	-0.4368
181	G	A	0.1246
182	V	A	1.1741
183	G	A	0.3077
184	G	A	0.1446
185	A	A	0.7417
186	F	A	2.1964
187	A	A	1.9959
188	G	A	1.5739
189	I	A	2.3609
190	P	A	1.2996
191	G	A	0.8089
192	V	A	1.6201
193	G	A	0.5380
194	P	A	0.5892
195	F	A	1.5303
196	G	A	-0.0635
197	G	A	-0.7388
198	P	A	-1.0724
199	Q	A	-1.6901
200	P	A	-0.8102
201	G	A	-0.0152
202	V	A	1.6651
203	P	A	1.2084
204	L	A	1.8614
205	G	A	1.2943
206	Y	A	1.6298
207	P	A	0.8411
208	I	A	1.3533
209	K	A	-0.8354
210	A	A	-0.6514
211	P	A	-1.1288
212	K	A	-1.3177
213	L	A	0.2818
214	P	A	-0.2788
215	G	A	-0.3222
216	G	A	-0.0229
217	Y	A	1.0371
218	G	A	0.9334
219	L	A	1.7832
220	P	A	1.2198
221	Y	A	1.4537
222	T	A	0.3125
223	T	A	-0.3660
224	G	A	-0.9930
225	K	A	-1.3038
226	L	A	0.6663
227	P	A	0.6689
228	Y	A	1.5188
229	G	A	0.9228
230	Y	A	1.0931
231	G	A	-0.1570
232	P	A	-0.3794
233	G	A	-0.2703
234	G	A	0.5292
235	V	A	1.7887
236	A	A	0.9349
237	G	A	-0.1045
238	A	A	-0.2656
239	A	A	-0.5733
240	G	A	-1.2764
241	K	A	-1.8420
242	A	A	-0.8570
243	G	A	-0.2528
244	Y	A	0.7155
245	P	A	0.2350
246	T	A	-0.2092
247	G	A	-0.3654
248	T	A	-0.1033
249	G	A	0.1994
250	V	A	1.1789
251	G	A	-0.1564
252	P	A	-0.7292
253	Q	A	-1.3903
254	A	A	-0.5655
255	A	A	-0.1425
256	A	A	0.1460
257	A	A	0.1489
258	A	A	0.1431
259	A	A	-0.2237
260	A	A	-0.6849
261	K	A	-1.6195
262	A	A	-0.9151
263	A	A	-0.3496
264	A	A	-0.2777
265	K	A	-0.7982
266	F	A	0.8679
267	G	A	0.0305
268	A	A	-0.2178
269	G	A	-0.3618
270	A	A	-0.0873
271	A	A	0.3386
272	G	A	0.8545
273	V	A	2.3011
274	L	A	2.1876
275	P	A	1.0223
276	G	A	0.7012
277	V	A	1.1292
278	G	A	0.2040
279	G	A	-0.3560
280	A	A	-0.0292
281	G	A	0.2648
282	V	A	1.3242
283	P	A	0.6069
284	G	A	0.5218
285	V	A	1.2530
286	P	A	0.3369
287	G	A	0.3072
288	A	A	0.6912
289	I	A	1.7067
290	P	A	0.9356
291	G	A	0.6457
292	I	A	1.3554
293	G	A	0.7133
294	G	A	0.7155
295	I	A	1.6108
296	A	A	1.0076
297	G	A	0.7438
298	V	A	1.2931
299	G	A	0.1973
300	T	A	-0.0305
301	P	A	-0.1697
302	A	A	-0.0329
303	A	A	0.0738
304	A	A	0.1464
305	A	A	0.1525
306	A	A	0.1506
307	A	A	0.1566
308	A	A	0.1479
309	A	A	0.1484
310	A	A	-0.2163
311	A	A	-0.6870
312	K	A	-1.7865
313	A	A	-1.2419
314	A	A	-0.9395
315	K	A	-1.2956
316	Y	A	0.3216
317	G	A	-0.1195
318	A	A	0.1515
319	A	A	0.0339
320	A	A	0.1616
321	G	A	0.6715
322	L	A	2.0722
323	V	A	2.1693
324	P	A	0.7865
325	G	A	-0.3013
326	G	A	-0.7934
327	P	A	-0.4779
328	G	A	0.2996
329	F	A	1.2995
330	G	A	0.2864
331	P	A	0.0713
332	G	A	0.5069
333	V	A	2.1726
334	V	A	2.6686
335	G	A	1.8449
336	V	A	1.7582
337	P	A	0.4497
338	G	A	-0.3108
339	A	A	-0.0561
340	G	A	0.2789
341	V	A	1.3518
342	P	A	0.6383
343	G	A	0.4993
344	V	A	1.6317
345	G	A	1.0683
346	V	A	1.6939
347	P	A	0.3266
348	G	A	-0.3143
349	A	A	0.0028
350	G	A	0.4784
351	I	A	1.9766
352	P	A	1.9443
353	V	A	3.0432
354	V	A	2.5051
355	P	A	1.0002
356	G	A	-0.3083
357	A	A	-0.1032
358	G	A	0.3487
359	I	A	1.5659
360	P	A	0.5388
361	G	A	-0.1247
362	A	A	-0.0867
363	A	A	0.1055
364	V	A	0.5048
365	P	A	0.1108
366	G	A	0.6286
367	V	A	2.3313
368	V	A	2.1305
369	S	A	0.5349
370	P	A	-0.9490
371	E	A	-1.7625
372	A	A	-1.0687
373	A	A	-0.6624
374	A	A	-0.7063
375	K	A	-1.6028
376	A	A	-0.6974
377	A	A	-0.6304
378	A	A	-0.9462
379	K	A	-1.8017
380	A	A	-0.9578
381	A	A	-0.8462
382	K	A	-1.3164
383	Y	A	0.0635
384	G	A	-0.5267
385	A	A	-1.0848
386	R	A	-1.9962
387	P	A	-1.0773
388	G	A	-0.2015
389	V	A	1.6629
390	G	A	1.2012
391	V	A	1.5770
392	G	A	0.5024
393	G	A	0.5741
394	I	A	1.5157
395	P	A	0.9305
396	T	A	1.0187
397	Y	A	1.7257
398	G	A	1.5890
399	V	A	1.9599
400	G	A	0.4253
401	A	A	0.0911
402	G	A	0.2485
403	G	A	0.6977
404	F	A	2.1059
405	P	A	0.8551
406	G	A	1.1815
407	F	A	2.0504
408	G	A	1.2416
409	V	A	2.0413
410	G	A	1.4598
411	V	A	1.7930
412	G	A	0.4262
413	G	A	0.0143
414	I	A	0.4994
415	P	A	0.2025
416	G	A	0.5286
417	V	A	1.6290
418	A	A	0.9197
419	G	A	0.5615
420	V	A	1.0675
421	P	A	0.6337
422	G	A	0.4123
423	V	A	1.1386
424	G	A	0.5869
425	G	A	0.5734
426	V	A	1.3650
427	P	A	0.7140
428	G	A	0.6535
429	V	A	1.2887
430	G	A	0.5272
431	G	A	0.5934
432	V	A	1.3622
433	P	A	0.7827
434	G	A	0.5198
435	V	A	1.9068
436	G	A	1.4051
437	I	A	1.9861
438	S	A	0.1022
439	P	A	-0.7903
440	E	A	-2.2225
441	A	A	-1.4853
442	Q	A	-1.5309
443	A	A	-0.7658
444	A	A	-0.1314
445	A	A	0.1411
446	A	A	-0.2166
447	A	A	-0.6902
448	K	A	-1.8032
449	A	A	-1.2284
450	A	A	-0.9471
451	K	A	-1.3191
452	Y	A	0.2947
453	G	A	-0.2073
454	A	A	0.0655
455	A	A	-0.2802
456	G	A	-0.6783
457	A	A	-0.5188
458	G	A	-0.0644
459	V	A	1.0688
460	L	A	1.6539
461	G	A	0.8039
462	G	A	0.8513
463	L	A	2.0109
464	V	A	2.1385
465	P	A	0.7777
466	G	A	0.1043
467	A	A	-0.2186
468	P	A	-0.3328
469	G	A	-0.2129
470	A	A	0.9179
471	V	A	1.8618
472	P	A	1.4208
473	G	A	1.7355
474	V	A	2.3440
475	P	A	1.1305
476	G	A	0.0939
477	T	A	-0.6932
478	G	A	-0.4619
479	G	A	0.0388
480	V	A	1.2009
481	P	A	0.7972
482	G	A	0.5150
483	V	A	1.2586
484	G	A	0.1979
485	T	A	-0.0242
486	P	A	-0.3516
487	A	A	-0.0385
488	A	A	0.0813
489	A	A	0.1402
490	A	A	-0.2340
491	A	A	-0.6671
492	K	A	-1.5681
493	A	A	-0.6565
494	A	A	-0.1265
495	A	A	-0.4984
496	K	A	-1.8105
497	A	A	-0.8037
498	A	A	-0.5884
499	Q	A	-0.4733
500	F	A	1.7185
501	G	A	1.4853
502	L	A	2.5466
503	V	A	2.6538
504	P	A	1.1406
505	G	A	0.8137
506	V	A	1.8036
507	G	A	1.2871
508	V	A	1.9060
509	A	A	0.5867
510	P	A	0.3454
511	G	A	0.4508
512	V	A	1.6147
513	G	A	1.1298
514	V	A	1.8489
515	A	A	0.7929
516	P	A	0.4094
517	G	A	0.3576
518	V	A	1.7608
519	G	A	1.0671
520	V	A	1.9061
521	A	A	0.9787
522	P	A	0.3945
523	G	A	0.5064
524	V	A	1.6024
525	G	A	0.9712
526	L	A	1.6446
527	A	A	0.4598
528	P	A	0.1361
529	G	A	0.1573
530	V	A	1.6176
531	G	A	1.2956
532	V	A	1.8531
533	A	A	0.7558
534	P	A	0.2399
535	G	A	0.5406
536	V	A	1.6918
537	G	A	1.0538
538	V	A	1.8721
539	A	A	0.9466
540	P	A	0.2528
541	G	A	0.4950
542	V	A	1.5807
543	G	A	1.2208
544	V	A	1.8471
545	A	A	0.9724
546	P	A	0.4096
547	G	A	0.4406
548	I	A	1.3338
549	G	A	0.0651
550	P	A	-0.3339
551	G	A	-0.6399
552	G	A	0.0596
553	V	A	1.1600
554	A	A	0.4142
555	A	A	-0.1080
556	A	A	0.0926
557	A	A	-0.4191
558	K	A	-1.7106
559	S	A	-1.0940
560	A	A	-0.5845
561	A	A	-0.3887
562	K	A	-1.3109
563	V	A	0.6962
564	A	A	0.2310
565	A	A	-0.4659
566	K	A	-1.5020
567	A	A	-1.0226
568	Q	A	-1.3234
569	L	A	-0.2171
570	R	A	-1.3574
571	A	A	-0.6760
572	A	A	-0.1153
573	A	A	-0.0659
574	G	A	0.2374
575	L	A	1.0823
576	G	A	0.3083
577	A	A	0.2989
578	G	A	0.6167
579	I	A	1.7485
580	P	A	0.6685
581	G	A	0.7179
582	L	A	1.8326
583	G	A	1.0849
584	V	A	2.0368
585	G	A	1.4184
586	V	A	1.9888
587	G	A	1.1426
588	V	A	1.7501
589	P	A	0.8633
590	G	A	0.7090
591	L	A	1.7594
592	G	A	0.8405
593	V	A	1.5548
594	G	A	0.5526
595	A	A	0.2965
596	G	A	0.4764
597	V	A	1.4499
598	P	A	0.6385
599	G	A	0.5393
600	L	A	1.5018
601	G	A	0.8137
602	V	A	1.5478
603	G	A	0.7365
604	A	A	0.3062
605	G	A	0.5856
606	V	A	1.6548
607	P	A	0.6979
608	G	A	0.6465
609	F	A	1.5317
610	G	A	0.4720
611	A	A	0.0549
612	G	A	-0.6661
613	A	A	-1.3771
614	D	A	-2.8621
615	E	A	-2.5496
616	G	A	-1.1076
617	V	A	0.3533
618	R	A	-1.6048
619	R	A	-2.1746
620	S	A	-0.9113
621	L	A	0.8941
622	S	A	-0.0171
623	P	A	-0.5637
624	E	A	-1.7399
625	L	A	-0.8447
626	R	A	-2.8757
627	E	A	-3.3318
628	G	A	-2.7565
629	D	A	-2.8817
630	P	A	-1.5529
631	S	A	-0.9105
632	S	A	-0.9489
633	S	A	-1.2164
634	Q	A	-1.5835
635	H	A	-1.0299
636	L	A	0.6619
637	P	A	0.1659
638	S	A	-0.1276
639	T	A	-0.3877
640	P	A	-0.4801
641	S	A	-0.5062
642	S	A	-0.8384
643	P	A	-0.9033
644	R	A	-1.1492
645	V	A	0.4547
646	P	A	0.0217
647	G	A	-0.0414
648	A	A	0.5611
649	L	A	1.5256
650	A	A	0.7603
651	A	A	0.1242
652	A	A	-0.6982
653	K	A	-1.7781
654	A	A	-1.0906
655	A	A	-0.9140
656	K	A	-1.2114
657	Y	A	0.1103
658	G	A	-0.1990
659	A	A	0.2628
660	A	A	0.8823
661	V	A	1.5730
662	P	A	0.9068
663	G	A	1.1217
664	V	A	2.1010
665	L	A	1.9288
666	G	A	0.7980
667	G	A	0.3737
668	L	A	0.9533
669	G	A	0.5580
670	A	A	0.7436
671	L	A	1.1161
672	G	A	0.4874
673	G	A	0.3843
674	V	A	1.6861
675	G	A	1.1796
676	I	A	1.9491
677	P	A	0.6127
678	G	A	0.0008
679	G	A	0.4287
680	V	A	2.1916
681	V	A	2.2834
682	G	A	0.6371
683	A	A	-0.0185
684	G	A	-0.4596
685	P	A	-0.4123
686	A	A	-0.1071
687	A	A	0.0155
688	A	A	0.1187
689	A	A	0.3032
690	A	A	0.3974
691	A	A	0.0934
692	A	A	-0.3356
693	K	A	-1.2862
694	A	A	-0.4378
695	A	A	-0.5041
696	A	A	-1.0833
697	K	A	-1.6136
698	A	A	-0.7833
699	A	A	-0.5056
700	Q	A	-0.1704
701	F	A	1.6780
702	G	A	1.5425
703	L	A	2.3748
704	V	A	2.3390
705	G	A	0.9089
706	A	A	0.1497
707	A	A	0.0632
708	G	A	0.2250
709	L	A	0.9961
710	G	A	0.3683
711	G	A	0.5378
712	L	A	1.3729
713	G	A	0.9209
714	V	A	1.6897
715	G	A	0.8117
716	G	A	1.3031
717	L	A	2.2452
718	G	A	1.4674
719	V	A	1.7821
720	P	A	0.6401
721	G	A	0.5111
722	V	A	1.3238
723	G	A	0.4032
724	G	A	0.2926
725	L	A	0.8616
726	G	A	0.4668
727	G	A	0.5562
728	I	A	1.4926
729	P	A	0.5611
730	P	A	0.1485
731	A	A	-0.0682
732	A	A	0.0778
733	A	A	-0.2195
734	A	A	-0.6836
735	K	A	-1.6153
736	A	A	-1.0949
737	A	A	-1.0094
738	K	A	-1.1173
739	Y	A	0.3042
740	G	A	-0.1811
741	A	A	0.3846
742	A	A	0.7199
743	G	A	0.6570
744	L	A	1.6060
745	G	A	0.5260
746	G	A	0.7372
747	V	A	2.0724
748	L	A	1.9252
749	G	A	0.6172
750	G	A	-0.4142
751	A	A	-0.7353
752	G	A	-0.7819
753	Q	A	-0.5489
754	F	A	1.6596
755	P	A	1.3568
756	L	A	1.8106
757	G	A	0.4641
758	G	A	0.6542
759	V	A	1.6305
760	A	A	0.3685
761	A	A	-0.4846
762	R	A	-2.0448
763	P	A	-1.1400
764	G	A	-0.1588
765	F	A	1.7369
766	G	A	1.2477
767	L	A	1.5798
768	S	A	0.7496
769	P	A	1.3912
770	I	A	2.7108
771	F	A	2.6104
772	P	A	0.9347
773	G	A	-0.3629
774	G	A	-0.4270
775	A	A	0.3187
776	C	A	1.2403
777	L	A	1.2399
778	G	A	-0.1025
779	K	A	-1.4573
780	A	A	-0.6715
781	C	A	-0.5439
782	G	A	-1.6916
783	R	A	-3.0912
784	K	A	-3.9180
785	R	A	-4.1124
786	K	A	-3.1846

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 partially or entirely disordered. Average score is recommended for pH analysis.

pH	Average A4D Score	Max A4D Score
4.0	1.118	6.9243
4.5	1.1133	6.9243
5.0	1.11	6.9243
5.5	1.1139	6.9243
6.0	1.1314	6.9243
6.5	1.1639	6.9243
7.0	1.2073	6.9243
7.5	1.2564	6.9243
8.0	1.3077	6.9243
8.5	1.3599	6.9243
9.0	1.4119	6.9243