Project name: a7a625d5cd315f1

Chain sequence(s)	A: MVMEDEPREATIKPSYWLDACEDISCDLIDDLVSEFDPSSVAVNESTDENGVINDFFGGIDHILDSIKNGGGLPNNGVSDTNSQINEVTVTPQVIAKETVKENGLQKNGGKRDEFSKEEGDKDRKRARVCSYQSERSNLSGRGHVNNSREGDRFMNRKRTRNWDEAGNNKKKRECNNYRRDGRDREVRGYWERDKVGSNELVYRSGTWEADHERDVKKVSGGNRECDVKAEENKSKPEERKEKVVEEQARRYQLDVLEQAKAKNTIAFLETGAGKTLIAILLIKSVHKDLMSQNRKMLSVFLVPKVPLVYQQAEVIRNQTCFQVGHYCGEMGQDFWDSRRWQREFESKQVLVMTAQILLNILRHSIIRMETIDLLILDECHHAVKKHPYSLVMSEFYHTTPKDKRPAIFGMTASPVNLKGVSSQVDCAIKIRNLETKLDSTVCTIKDRKELEKHVPMPSEIVVEYDKAATMWSLHETIKQMIAAVEEAAQASSRKSKWQFMGARDAGAKDELRQVYGVSERTESDGAANLIHKLRAINYTLAELGQWCAYKVGQSFLSALQSDERVNFQVDVKFQESYLSEVVSLLQCELLEGAAAEKVAAEVGKPENGNAHDEMEEGELPDDPVVSGGEHVDEVIGAAVADGKVTPKVQSLIKLLLKYQHTADFRAIVFVERVVAALVLPKVFAELPSLSFIRCASMIGHNNSQEMKSSQMQDTISKFRDGHVTLLVATSVAEEGLDIRQCNVVMRFDLAKTVLAYIQSRGRARKPGSDYILMVERGNVSHAAFLRNARNSEETLRKEAIERTDLSHLKDTSRLISIDAVPGTVYKVEATGAMVSLNSAVGLVHFYCSQLPGDRYAILRPEFSMEKHEKPGGHTEYSCRLQLPCNAPFEILEGPVCSSMRLAQQAVCLAACKKLHEMGAFTDMLLPDKGSGQDAEKADQDDEGEPVPGTARHREFYPEGVADVLKGEWVSSGKEVCESSKLFHLYMYNVRCVDFGSSKDPFLSEVSEFAILFGNELDAEVLSMSMDLYVARAMITKASLAFKGSLDITENQLSSLKKFHVRLMSIVLDVDVEPSTTPWDPAKAYLFVPVTDNTSMEPIKGINWELVEKITKTTAWDNPLQRARPDVYLGTNERTLGGDRREYGFGKLRHNIVFGQKSHPTYGIRGAVASFDVVRASGLLPVRDAFEKEVEEDLSKGKLMMADGCMVAEDLIGKIVTAAHSGKRFYVDSICYDMSAETSFPRKEGYLGPLEYNTYADYYKQKYGVDLNCKQQPLIKGRGVSYCKNLLSPRFEQSGESETVLDKTYYVFLPPELCVVHPLSGSLIRGAQRLPSIMRRVESMLLAVQLKNLISYPIPTSKILEALTAASCQETFCYERAELLGDAYLKWVVSRFLFLKYPQKHEGQLTRMRQQMVSNMVLYQFALVKGLQSYIQADRFAPSRWSAPGVPPVFDEDTKDGGSSFFDEEQKPVSEENSDVFEDGEMEDGELEGDLSSYRVLSSKTLADVVEALIGVYYVEGGKIAANHLMKWIGIHVEDDPDEVDGTLKNVNVPESVLKSIDFVGLERALKYEFKEKGLLVEAITHASRPSSGVSCYQRLEFVGDAVLDHLITRHLFFTYTSLPPGRLTDLRAAAVNNENFARVAVKHKLHLYLRHGSSALEKQIREFVKEVQTESSKPGFNSFGLGDCKAPKVLGDIVESIAGAIFLDSGKDTTAAWKVFQPLLQPMVTPETLPMHPVRELQERCQQQAEGLEYKASRSGNTATVEVFIDGVQVGVAQNPQKKMAQKLAARNALAALKEKEIAESKEKHINNGNAGEDQGENENGNKKNGHQPFTRQTLNDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKTFS
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]                                                (00:00:00)
[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 partially or entirely disordered. Average score is   
                       recommended for pH analysis.                                                (00:00:14)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:15)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:27:16)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/a7a625d5cd315f1/tmp/folded.pdb                (00:27:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:42)

• Minimal score value: -4.8846
• Maximal score value: 3.0196
• Average score: -1.0262
• Total score value: -1958.922

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	1.9730
2	V	A	2.1975
3	M	A	0.6449
4	E	A	-2.1542
5	D	A	-3.3573
6	E	A	-3.8130
7	P	A	-3.0900
8	R	A	-3.4885
9	E	A	-2.7364
10	A	A	-1.0186
11	T	A	-0.3029
12	I	A	0.8445
13	K	A	-0.7228
14	P	A	-0.1703
15	S	A	0.5355
16	Y	A	1.4288
17	W	A	1.6649
18	L	A	0.8055
19	D	A	-1.3333
20	A	A	-0.1476
21	C	A	-0.1546
22	E	A	-2.1210
23	D	A	-1.7584
24	I	A	0.8242
25	S	A	0.2732
26	C	A	0.6792
27	D	A	-0.7672
28	L	A	1.3702
29	I	A	1.4130
30	D	A	-0.8413
31	D	A	-1.1743
32	L	A	1.5884
33	V	A	1.6668
34	S	A	-0.2372
35	E	A	-0.9430
36	F	A	0.7366
37	D	A	-1.4318
38	P	A	-0.6318
39	S	A	-0.2614
40	S	A	0.3470
41	V	A	1.8826
42	A	A	1.1789
43	V	A	1.0706
44	N	A	-1.1189
45	E	A	-2.2557
46	S	A	-1.8426
47	T	A	-2.0476
48	D	A	-3.2519
49	E	A	-3.1923
50	N	A	-1.9807
51	G	A	-0.4864
52	V	A	1.3428
53	I	A	1.8455
54	N	A	0.0667
55	D	A	-0.3254
56	F	A	2.1530
57	F	A	1.9600
58	G	A	0.3615
59	G	A	0.7220
60	I	A	1.8307
61	D	A	-0.6225
62	H	A	-0.5561
63	I	A	1.0320
64	L	A	0.2468
65	D	A	-1.8338
66	S	A	-0.8761
67	I	A	0.3502
68	K	A	-1.8627
69	N	A	-2.3069
70	G	A	-1.4881
71	G	A	-1.1550
72	G	A	-0.3939
73	L	A	0.7637
74	P	A	-0.5601
75	N	A	-1.8141
76	N	A	-1.8188
77	G	A	-0.5908
78	V	A	0.7745
79	S	A	-0.3829
80	D	A	-1.9318
81	T	A	-1.6609
82	N	A	-2.1302
83	S	A	-1.0264
84	Q	A	-0.8753
85	I	A	0.3794
86	N	A	-1.1043
87	E	A	-1.1236
88	V	A	0.8988
89	T	A	1.1933
90	V	A	2.0211
91	T	A	0.3888
92	P	A	-0.1208
93	Q	A	-0.0514
94	V	A	1.9620
95	I	A	2.3159
96	A	A	0.2705
97	K	A	-2.0241
98	E	A	-2.4921
99	T	A	-1.1713
100	V	A	-0.0034
101	K	A	-2.3309
102	E	A	-3.0366
103	N	A	-2.4015
104	G	A	-1.4611
105	L	A	-0.0881
106	Q	A	-1.8824
107	K	A	-2.7456
108	N	A	-2.5224
109	G	A	-2.4654
110	G	A	-2.5795
111	K	A	-3.7087
112	R	A	-4.2803
113	D	A	-3.7018
114	E	A	-2.6037
115	F	A	-0.0644
116	S	A	-0.9435
117	K	A	-2.8705
118	E	A	-3.6891
119	E	A	-3.9984
120	G	A	-3.5593
121	D	A	-4.2234
122	K	A	-4.5333
123	D	A	-4.7530
124	R	A	-4.7654
125	K	A	-4.4290
126	R	A	-3.6636
127	A	A	-1.8301
128	R	A	-1.4914
129	V	A	1.0854
130	C	A	1.0841
131	S	A	0.6313
132	Y	A	0.7582
133	Q	A	-1.1040
134	S	A	-1.7601
135	E	A	-3.1793
136	R	A	-3.0770
137	S	A	-1.7460
138	N	A	-1.4346
139	L	A	0.4553
140	S	A	-0.4672
141	G	A	-1.3299
142	R	A	-2.6175
143	G	A	-1.7910
144	H	A	-1.1267
145	V	A	-0.0682
146	N	A	-1.9810
147	N	A	-2.9634
148	S	A	-2.9996
149	R	A	-3.5149
150	E	A	-3.3686
151	G	A	-3.2913
152	D	A	-3.1449
153	R	A	-1.6143
154	F	A	0.9313
155	M	A	0.6601
156	N	A	-1.9129
157	R	A	-3.6662
158	K	A	-4.1010
159	R	A	-3.8582
160	T	A	-2.8067
161	R	A	-2.8694
162	N	A	-2.1974
163	W	A	-1.2800
164	D	A	-2.4619
165	E	A	-2.5915
166	A	A	-1.8807
167	G	A	-1.7063
168	N	A	-2.5193
169	N	A	-3.2320
170	K	A	-3.8271
171	K	A	-4.0300
172	K	A	-4.2407
173	R	A	-4.0725
174	E	A	-3.1716
175	C	A	-1.4460
176	N	A	-2.0268
177	N	A	-1.7231
178	Y	A	-1.2396
179	R	A	-3.0028
180	R	A	-3.7027
181	D	A	-3.8855
182	G	A	-3.7071
183	R	A	-4.2157
184	D	A	-4.1900
185	R	A	-3.9822
186	E	A	-3.1031
187	V	A	-1.0314
188	R	A	-1.8997
189	G	A	-0.7600
190	Y	A	0.3539
191	W	A	0.8622
192	E	A	-0.9882
193	R	A	-2.8249
194	D	A	-2.6695
195	K	A	-2.4850
196	V	A	-0.3690
197	G	A	-1.3043
198	S	A	-1.8161
199	N	A	-2.9758
200	E	A	-2.4794
201	L	A	-0.4165
202	V	A	0.0209
203	Y	A	0.1836
204	R	A	-0.9269
205	S	A	-0.7594
206	G	A	-0.5477
207	T	A	-0.2759
208	W	A	0.0139
209	E	A	-1.8275
210	A	A	-2.2915
211	D	A	-3.3773
212	H	A	-3.4450
213	E	A	-4.0770
214	R	A	-3.7904
215	D	A	-3.2612
216	V	A	-1.2420
217	K	A	-2.6219
218	K	A	-2.2602
219	V	A	0.2082
220	S	A	-0.7171
221	G	A	-1.2111
222	G	A	-1.6880
223	N	A	-3.0066
224	R	A	-3.6608
225	E	A	-3.2870
226	C	A	-1.1352
227	D	A	-1.4756
228	V	A	0.2410
229	K	A	-1.5851
230	A	A	-1.8669
231	E	A	-3.3174
232	E	A	-3.7044
233	N	A	-3.4267
234	K	A	-3.2228
235	S	A	-2.1798
236	K	A	-2.6778
237	P	A	-2.8780
238	E	A	-3.8234
239	E	A	-4.3548
240	R	A	-4.8846
241	K	A	-4.3998
242	E	A	-3.5059
243	K	A	-2.2456
244	V	A	0.3925
245	V	A	0.3790
246	E	A	-1.7987
247	E	A	-1.9900
248	Q	A	-2.2570
249	A	A	-1.5982
250	R	A	-1.8010
251	R	A	-2.2449
252	Y	A	0.0000
253	Q	A	0.0000
254	L	A	-1.1434
255	D	A	-2.3820
256	V	A	0.0000
257	L	A	-1.6590
258	E	A	-2.8787
259	Q	A	-2.3076
260	A	A	0.0000
261	K	A	-2.5220
262	A	A	-1.9130
263	K	A	-2.2839
264	N	A	-1.3455
265	T	A	0.0000
266	I	A	0.0000
267	A	A	0.0000
268	F	A	0.0140
269	L	A	0.0000
270	E	A	-0.5714
271	T	A	-0.5985
272	G	A	-0.9608
273	A	A	0.0000
274	G	A	-0.5028
275	K	A	-0.2428
276	T	A	0.0538
277	L	A	-0.1579
278	I	A	0.0000
279	A	A	0.0000
280	I	A	0.0000
281	L	A	0.1666
282	L	A	0.0000
283	I	A	0.0000
284	K	A	-1.1759
285	S	A	-1.4315
286	V	A	-1.3117
287	H	A	-2.0535
288	K	A	-3.0605
289	D	A	-3.1989
290	L	A	-2.7704
291	M	A	-2.4757
292	S	A	-2.2942
293	Q	A	-3.1020
294	N	A	-3.2750
295	R	A	-3.7198
296	K	A	-2.7695
297	M	A	0.0000
298	L	A	0.0000
299	S	A	0.0000
300	V	A	0.0000
301	F	A	0.0000
302	L	A	0.0000
303	V	A	0.0000
304	P	A	-0.4235
305	K	A	-0.1460
306	V	A	0.3618
307	P	A	0.0014
308	L	A	0.0000
309	V	A	0.0000
310	Y	A	0.0002
311	Q	A	-0.7031
312	Q	A	-0.8881
313	A	A	0.0000
314	E	A	-2.3261
315	V	A	-1.1983
316	I	A	0.0000
317	R	A	-2.3252
318	N	A	-2.2995
319	Q	A	-1.8932
320	T	A	0.0000
321	C	A	-0.2520
322	F	A	0.0000
323	Q	A	-1.4442
324	V	A	0.0000
325	G	A	0.0000
326	H	A	-0.4417
327	Y	A	0.0000
328	C	A	0.0000
329	G	A	-1.6407
330	E	A	-2.0258
331	M	A	-0.8622
332	G	A	-0.6951
333	Q	A	0.0000
334	D	A	-1.5098
335	F	A	0.8251
336	W	A	-0.7992
337	D	A	-2.2704
338	S	A	-2.3356
339	R	A	-3.8144
340	R	A	-4.1040
341	W	A	0.0000
342	Q	A	-3.5593
343	R	A	-4.0743
344	E	A	-2.8667
345	F	A	-2.0533
346	E	A	-3.1845
347	S	A	-2.0720
348	K	A	-1.8373
349	Q	A	-1.2887
350	V	A	0.0000
351	L	A	0.0000
352	V	A	0.0000
353	M	A	0.0000
354	T	A	-0.3826
355	A	A	0.0000
356	Q	A	-1.4854
357	I	A	0.0000
358	L	A	0.0000
359	L	A	0.0000
360	N	A	-1.2300
361	I	A	0.0000
362	L	A	0.0000
363	R	A	-0.7746
364	H	A	-0.5500
365	S	A	0.0000
366	I	A	-0.7961
367	I	A	0.0000
368	R	A	-1.7621
369	M	A	0.0000
370	E	A	-2.8248
371	T	A	-1.3895
372	I	A	0.0000
373	D	A	-0.9055
374	L	A	0.0000
375	L	A	0.0000
376	I	A	0.0000
377	L	A	0.0000
378	D	A	0.0000
379	E	A	-0.2976
380	C	A	0.0000
381	H	A	0.0000
382	H	A	-0.3857
383	A	A	0.0000
384	V	A	-0.0268
385	K	A	-1.7264
386	K	A	-2.2614
387	H	A	-1.2036
388	P	A	-0.9340
389	Y	A	0.0000
390	S	A	0.0000
391	L	A	-0.6689
392	V	A	0.0000
393	M	A	0.0000
394	S	A	-0.2392
395	E	A	0.0000
396	F	A	0.0000
397	Y	A	0.0000
398	H	A	-0.6689
399	T	A	-0.5483
400	T	A	0.0000
401	P	A	-2.4642
402	K	A	-3.5199
403	D	A	-3.7478
404	K	A	-3.8117
405	R	A	-2.7331
406	P	A	0.0000
407	A	A	-0.8755
408	I	A	0.0000
409	F	A	0.0000
410	G	A	0.0000
411	M	A	0.0000
412	T	A	0.0000
413	A	A	0.0000
414	S	A	0.0000
415	P	A	0.0000
416	V	A	0.0000
417	N	A	-1.3627
418	L	A	0.0000
419	K	A	-2.1169
420	G	A	-0.8573
421	V	A	0.4231
422	S	A	0.1956
423	S	A	0.1092
424	Q	A	-0.5918
425	V	A	1.1379
426	D	A	0.0753
427	C	A	0.0000
428	A	A	-0.3314
429	I	A	-0.0273
430	K	A	-1.0597
431	I	A	0.0000
432	R	A	-2.4970
433	N	A	-2.0111
434	L	A	0.0000
435	E	A	-1.5296
436	T	A	-1.5063
437	K	A	-0.9643
438	L	A	0.0000
439	D	A	-1.0449
440	S	A	0.0000
441	T	A	-0.8247
442	V	A	0.0000
443	C	A	0.0000
444	T	A	0.0000
445	I	A	0.0000
446	K	A	-3.2157
447	D	A	-3.4218
448	R	A	-4.1718
449	K	A	-4.1659
450	E	A	-3.4597
451	L	A	0.0000
452	E	A	-3.3720
453	K	A	-3.2635
454	H	A	-2.1585
455	V	A	0.0000
456	P	A	-1.0669
457	M	A	-0.4484
458	P	A	-0.3113
459	S	A	-0.2462
460	E	A	-0.0265
461	I	A	0.6940
462	V	A	0.8151
463	V	A	-0.2821
464	E	A	-2.4579
465	Y	A	0.0000
466	D	A	-2.6810
467	K	A	-2.8447
468	A	A	-1.0319
469	A	A	-0.4332
470	T	A	0.1514
471	M	A	0.3812
472	W	A	0.9287
473	S	A	0.0199
474	L	A	-0.0975
475	H	A	-0.5473
476	E	A	-1.3563
477	T	A	-1.0080
478	I	A	0.0000
479	K	A	-2.2849
480	Q	A	-2.0720
481	M	A	-1.4554
482	I	A	-1.8280
483	A	A	-1.6914
484	A	A	-1.6549
485	V	A	0.0000
486	E	A	-2.9123
487	E	A	-2.9426
488	A	A	-1.7176
489	A	A	-2.1999
490	Q	A	-2.5538
491	A	A	-1.9131
492	S	A	-2.1254
493	S	A	-2.3494
494	R	A	-2.0641
495	K	A	-2.5239
496	S	A	-2.1471
497	K	A	-2.2036
498	W	A	-2.0226
499	Q	A	-2.0959
500	F	A	-1.4157
501	M	A	-1.5637
502	G	A	-1.9183
503	A	A	0.0000
504	R	A	-2.9237
505	D	A	-2.9657
506	A	A	-2.1050
507	G	A	-2.5307
508	A	A	-2.0618
509	K	A	-2.9020
510	D	A	-3.5560
511	E	A	-3.2096
512	L	A	0.0000
513	R	A	-3.1006
514	Q	A	-2.5124
515	V	A	-1.2355
516	Y	A	-0.2790
517	G	A	-0.8723
518	V	A	-0.6776
519	S	A	-1.4003
520	E	A	-3.0990
521	R	A	-3.5046
522	T	A	-2.1734
523	E	A	-2.0761
524	S	A	-2.6867
525	D	A	-3.1555
526	G	A	0.0000
527	A	A	0.0000
528	A	A	-1.9256
529	N	A	-2.0737
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1091	T	A	-2.0477
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1400	K	A	-1.7915
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1500	K	A	-1.1832
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1515	V	A	-0.3867
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1523	N	A	-1.0083
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1600	G	A	0.0000
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1643	K	A	-2.1182
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1758	N	A	-2.2128
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1782	A	A	0.0000
1783	Q	A	-1.6535
1784	K	A	-1.3755
1785	L	A	-1.0759
1786	A	A	0.0000
1787	A	A	0.0000
1788	R	A	-1.0755
1789	N	A	-0.6316
1790	A	A	0.0000
1791	L	A	-0.9508
1792	A	A	-1.2364
1793	A	A	-1.3183
1794	L	A	-1.4088
1795	K	A	-2.1714
1796	E	A	-2.9461
1797	K	A	-3.0115
1798	E	A	-2.4110
1799	I	A	-1.9702
1800	A	A	-2.9537
1801	E	A	-3.9159
1802	S	A	-3.2968
1803	K	A	-3.7403
1804	E	A	-4.0622
1805	K	A	-4.3320
1806	H	A	-3.1472
1807	I	A	-1.3840
1808	N	A	-2.8567
1809	N	A	-2.6707
1810	G	A	-1.8591
1811	N	A	-2.1051
1812	A	A	-1.8540
1813	G	A	-2.2922
1814	E	A	-3.3765
1815	D	A	-3.4874
1816	Q	A	-3.2554
1817	G	A	-3.0265
1818	E	A	-3.4902
1819	N	A	-3.6513
1820	E	A	-3.8157
1821	N	A	-3.4148
1822	G	A	-3.0099
1823	N	A	-3.4290
1824	K	A	-3.8040
1825	K	A	-3.6975
1826	N	A	-3.0443
1827	G	A	-2.7709
1828	H	A	-2.0007
1829	Q	A	-1.0638
1830	P	A	-0.6059
1831	F	A	-0.1659
1832	T	A	0.0000
1833	R	A	-1.3359
1834	Q	A	-1.7219
1835	T	A	-1.1025
1836	L	A	0.0000
1837	N	A	-1.5579
1838	D	A	-2.5136
1839	I	A	-1.6487
1840	C	A	0.0000
1841	L	A	-1.3196
1842	R	A	-2.7027
1843	K	A	-2.5052
1844	N	A	-2.1773
1845	W	A	0.0000
1846	P	A	-0.3518
1847	M	A	0.0010
1848	P	A	-0.3421
1849	S	A	-0.5945
1850	Y	A	-0.7296
1851	R	A	-1.8208
1852	C	A	-1.0767
1853	V	A	-0.7354
1854	K	A	-2.4333
1855	E	A	-2.3792
1856	G	A	-2.1612
1857	G	A	-1.7270
1858	P	A	-1.1519
1859	A	A	-0.7868
1860	H	A	-1.3994
1861	A	A	-1.3349
1862	K	A	-1.9802
1863	R	A	-3.1491
1864	F	A	-2.2607
1865	T	A	0.0000
1866	F	A	0.0000
1867	G	A	0.0000
1868	V	A	0.0000
1869	R	A	-1.4147
1870	V	A	0.0000
1871	N	A	-1.1118
1872	T	A	0.0000
1873	S	A	-1.9994
1874	D	A	-2.7598
1875	R	A	-2.6995
1876	G	A	-1.4923
1877	W	A	-0.8394
1878	T	A	-1.2942
1879	D	A	-1.9645
1880	E	A	-1.4314
1881	C	A	0.0000
1882	I	A	0.0621
1883	G	A	-0.4275
1884	E	A	-1.9734
1885	P	A	-2.0262
1886	M	A	-1.7464
1887	P	A	-1.8367
1888	S	A	-1.3445
1889	V	A	-1.3098
1890	K	A	-2.0698
1891	K	A	-2.1519
1892	A	A	0.0000
1893	K	A	-1.4106
1894	D	A	0.0000
1895	S	A	-0.8371
1896	A	A	0.0000
1897	A	A	0.0000
1898	V	A	0.1355
1899	L	A	0.4493
1900	L	A	0.0000
1901	L	A	0.0000
1902	E	A	-1.3950
1903	L	A	-0.9706
1904	L	A	0.0000
1905	N	A	-2.0441
1906	K	A	-2.2995
1907	T	A	-0.9302
1908	F	A	-0.1617
1909	S	A	-0.6625

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	-0.8484	6.7788
4.5	-0.9418	6.5913
5.0	-1.0576	6.3903
5.5	-1.1745	6.1847
6.0	-1.2707	5.9777
6.5	-1.3306	5.7709
7.0	-1.3521	5.5658
7.5	-1.3462	5.3666
8.0	-1.3249	5.2194
8.5	-1.2922	5.2737
9.0	-1.2471	5.3277