Project name: 9ba7a13bc890d00

Chain sequence(s)	A: SPVHKPQSSSTKYVYTNSNGLNFTQMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS; C: SPVHKPQSSSTKYVYTNSNGLNFTQMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS; B: SPVHKPQSSSTKYVYTNSNGLNFTQMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS; D: SPVHKPQSSSTKYVYTNSNGLNFTQMNPGLPNITIFGTGGTIAGSGSSSTATTGYTAGAVGILDLIDAVPSMLNVSNIAGVQVANVGSEDITSDILISLSKSINKLVCDDSTMAGAVITHGTDTLEETAFFLDATINCGKPVVIVGAMRPSTATSADGPFNLLEAVTVAASPKAVNRGAMVVMNDRIASAYYVTKTNANTMDTFKAIEMGFLGEMISNTPFFFYPPVKPTGKVEFDITATKEIPRVDILYAYEDMHNDTLYSAVENGAQGIVIAGAGAGGVSTSFNHAIEDVINRFKIPVVQSMRTVNGEVPLSDVNSTSAIHIASGYLNPQKSRILLGLLLSEARTLTDIRSVFSLGTVS
Selected Chain(s)	A,B,C,D
Distance of aggregation	5 Å
FoldX usage	Yes
pH calculations	Yes
alphaCutter usage	Used: no changes made
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 all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       PDB:      Running AlphaCutter                                                         (00:00:02)
[INFO]       PDB:      AlphaCutter did not cut any residues. The original structure will be used   
                       for analysis.                                                               (00:00:51)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:56)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:56)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:15:01)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9ba7a13bc890d00/tmp/folded.pdb                (00:15:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:03)

• Minimal score value: -2.0839
• Maximal score value: 2.0899
• Average score: -0.1431
• Total score value: -206.6381

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	S	A	-0.2588
2	P	A	0.0300
3	V	A	1.5439
4	H	A	-0.9788
5	K	A	-1.9301
6	P	A	-0.7847
7	Q	A	-1.2842
8	S	A	-0.4728
9	S	A	-0.2908
10	S	A	-0.2551
11	T	A	-0.3701
12	K	A	-1.5921
13	Y	A	0.6127
14	V	A	2.0265
15	Y	A	1.1077
16	T	A	0.0294
17	N	A	0.0000
18	S	A	-0.2841
19	N	A	-0.5145
20	G	A	-0.5071
21	L	A	0.0000
22	N	A	-0.4518
23	F	A	0.0000
24	T	A	0.0240
25	Q	A	-0.1779
26	M	A	0.0871
27	N	A	-0.8851
28	P	A	-0.4974
29	G	A	-0.4579
30	L	A	0.2056
31	P	A	-0.0417
32	N	A	-0.1674
33	I	A	0.0000
34	T	A	0.0000
35	I	A	0.0000
36	F	A	0.0000
37	G	A	0.0000
38	T	A	0.0000
39	G	A	0.0000
40	G	A	0.0000
41	T	A	0.0000
42	I	A	0.0000
43	A	A	0.0000
44	G	A	0.0000
45	S	A	-0.0837
46	G	A	-0.0710
47	S	A	-0.2488
48	S	A	-0.1797
49	S	A	-0.1293
50	T	A	-0.0301
51	A	A	-0.0031
52	T	A	-0.0137
53	T	A	-0.0805
54	G	A	-0.4164
55	Y	A	0.2883
56	T	A	0.0022
57	A	A	-0.0039
58	G	A	-0.1196
59	A	A	0.1120
60	V	A	0.3300
61	G	A	-0.1091
62	I	A	0.0000
63	L	A	0.1513
64	D	A	-0.8568
65	L	A	0.0000
66	I	A	0.0000
67	D	A	-1.0089
68	A	A	-0.1247
69	V	A	0.0000
70	P	A	-0.2602
71	S	A	-0.0752
72	M	A	0.0000
73	L	A	0.1667
74	N	A	-1.1389
75	V	A	0.1276
76	S	A	0.0000
77	N	A	0.0000
78	I	A	0.0000
79	A	A	0.0000
80	G	A	-0.0594
81	V	A	0.1916
82	Q	A	-0.5716
83	V	A	0.3449
84	A	A	-0.0584
85	N	A	-0.7493
86	V	A	0.3459
87	G	A	0.0170
88	S	A	0.0000
89	E	A	-0.4391
90	D	A	-0.5236
91	I	A	0.0000
92	T	A	-0.0254
93	S	A	0.0000
94	D	A	-1.7372
95	I	A	-0.0325
96	L	A	0.0000
97	I	A	0.0000
98	S	A	-0.1081
99	L	A	0.0000
100	S	A	0.0000
101	K	A	-0.6416
102	S	A	-0.1516
103	I	A	0.0000
104	N	A	-0.6273
105	K	A	-1.7248
106	L	A	-0.1268
107	V	A	0.0000
108	C	A	0.0000
109	D	A	-1.8209
110	D	A	-0.5353
111	S	A	-0.2573
112	T	A	-0.1091
113	M	A	0.0000
114	A	A	0.0159
115	G	A	0.0000
116	A	A	0.0000
117	V	A	0.0000
118	I	A	0.0000
119	T	A	0.0000
120	H	A	0.0000
121	G	A	0.0000
122	T	A	0.0000
123	D	A	-0.2192
124	T	A	0.0000
125	L	A	0.0000
126	E	A	0.0000
127	E	A	0.0000
128	T	A	0.0000
129	A	A	0.0000
130	F	A	0.0000
131	F	A	0.0000
132	L	A	0.0000
133	D	A	0.0000
134	A	A	0.0000
135	T	A	0.0000
136	I	A	0.0000
137	N	A	-1.1788
138	C	A	0.2764
139	G	A	-0.2475
140	K	A	-0.3316
141	P	A	0.0000
142	V	A	0.0000
143	V	A	0.0000
144	I	A	0.0000
145	V	A	0.0000
146	G	A	0.0000
147	A	A	0.0000
148	M	A	0.0000
149	R	A	0.0000
150	P	A	0.0000
151	S	A	-0.0911
152	T	A	-0.0489
153	A	A	0.0000
154	T	A	-0.0164
155	S	A	-0.0289
156	A	A	0.0000
157	D	A	0.0000
158	G	A	0.0000
159	P	A	-0.0537
160	F	A	0.0000
161	N	A	0.0000
162	L	A	0.0000
163	L	A	0.0000
164	E	A	0.0000
165	A	A	0.0000
166	V	A	0.0000
167	T	A	0.0000
168	V	A	0.0000
169	A	A	0.0000
170	A	A	0.0024
171	S	A	-0.0669
172	P	A	-0.4568
173	K	A	-1.1544
174	A	A	0.0000
175	V	A	0.4879
176	N	A	-1.1595
177	R	A	0.0000
178	G	A	-0.1654
179	A	A	0.0000
180	M	A	0.0000
181	V	A	0.0000
182	V	A	0.0000
183	M	A	0.0000
184	N	A	0.0000
185	D	A	0.0000
186	R	A	0.0000
187	I	A	0.0000
188	A	A	0.0000
189	S	A	0.0000
190	A	A	0.0000
191	Y	A	0.0000
192	Y	A	0.0000
193	V	A	0.0000
194	T	A	0.0000
195	K	A	0.0000
196	T	A	0.0000
197	N	A	0.0000
198	A	A	0.0000
199	N	A	-0.2246
200	T	A	0.0000
201	M	A	0.0000
202	D	A	-0.2147
203	T	A	0.0000
204	F	A	0.0000
205	K	A	-0.4319
206	A	A	0.0000
207	I	A	0.9116
208	E	A	0.0000
209	M	A	0.0000
210	G	A	0.0000
211	F	A	0.2370
212	L	A	0.1984
213	G	A	0.0000
214	E	A	0.0000
215	M	A	0.0000
216	I	A	0.0000
217	S	A	-0.0703
218	N	A	-0.1497
219	T	A	-0.0427
220	P	A	0.0000
221	F	A	0.0000
222	F	A	0.0000
223	F	A	0.0000
224	Y	A	0.1394
225	P	A	-0.1128
226	P	A	-0.1155
227	V	A	-0.0938
228	K	A	-1.6564
229	P	A	0.0000
230	T	A	-0.0338
231	G	A	0.0545
232	K	A	-0.1548
233	V	A	-0.0696
234	E	A	-1.7659
235	F	A	0.0000
236	D	A	-1.7894
237	I	A	0.0000
238	T	A	-0.0604
239	A	A	0.0441
240	T	A	-0.3058
241	K	A	-2.0354
242	E	A	-2.0839
243	I	A	-0.0756
244	P	A	-0.0530
245	R	A	-0.2619
246	V	A	0.0000
247	D	A	0.0000
248	I	A	0.0000
249	L	A	0.1564
250	Y	A	0.0000
251	A	A	0.0000
252	Y	A	0.0000
253	E	A	0.0000
254	D	A	-0.3504
255	M	A	-0.0039
256	H	A	-0.3860
257	N	A	-1.0458
258	D	A	-0.5946
259	T	A	-0.0855
260	L	A	0.0000
261	Y	A	0.3715
262	S	A	-0.1465
263	A	A	0.0000
264	V	A	-0.0816
265	E	A	-1.8344
266	N	A	-0.6734
267	G	A	-0.2639
268	A	A	0.0000
269	Q	A	-1.1198
270	G	A	0.0000
271	I	A	0.0000
272	V	A	0.0000
273	I	A	0.0000
274	A	A	0.0000
275	G	A	0.0000
276	A	A	0.0000
277	G	A	0.0000
278	A	A	0.0068
279	G	A	0.0000
280	G	A	-0.0675
281	V	A	0.0000
282	S	A	0.0000
283	T	A	-0.1092
284	S	A	-0.2256
285	F	A	0.0000
286	N	A	-0.4815
287	H	A	-1.0446
288	A	A	0.0000
289	I	A	0.0000
290	E	A	-0.2615
291	D	A	-0.5009
292	V	A	0.0000
293	I	A	0.0000
294	N	A	-1.1668
295	R	A	-1.8495
296	F	A	0.1427
297	K	A	-1.5246
298	I	A	-0.1148
299	P	A	0.0000
300	V	A	0.0000
301	V	A	0.0000
302	Q	A	0.0000
303	S	A	0.0000
304	M	A	0.0000
305	R	A	-0.1983
306	T	A	0.0000
307	V	A	0.2398
308	N	A	0.0000
309	G	A	0.0000
310	E	A	0.0000
311	V	A	0.0000
312	P	A	0.0000
313	L	A	0.2004
314	S	A	-0.2904
315	D	A	-0.7587
316	V	A	0.0000
317	N	A	-0.7851
318	S	A	-0.2682
319	T	A	-0.1303
320	S	A	-0.2246
321	A	A	0.0893
322	I	A	0.6749
323	H	A	0.0000
324	I	A	0.0000
325	A	A	0.0000
326	S	A	0.0000
327	G	A	0.0000
328	Y	A	0.0000
329	L	A	0.0000
330	N	A	0.0000
331	P	A	0.0000
332	Q	A	0.0000
333	K	A	0.0000
334	S	A	0.0000
335	R	A	0.0000
336	I	A	0.0000
337	L	A	0.0000
338	L	A	0.0000
339	G	A	0.0000
340	L	A	0.0000
341	L	A	0.0000
342	L	A	0.2194
343	S	A	-0.1744
344	E	A	-0.8302
345	A	A	-0.2171
346	R	A	-0.8599
347	T	A	-0.1837
348	L	A	0.2167
349	T	A	-0.2295
350	D	A	-1.1445
351	I	A	0.0000
352	R	A	-0.4278
353	S	A	-0.2786
354	V	A	0.1511
355	F	A	0.0000
356	S	A	0.1707
357	L	A	1.1790
358	G	A	0.1493
359	T	A	0.0000
360	V	A	0.1686
361	S	A	-0.1753
1	S	B	-0.2586
2	P	B	0.0299
3	V	B	1.5438
4	H	B	-0.9795
5	K	B	-1.9305
6	P	B	-0.7842
7	Q	B	-1.2843
8	S	B	-0.4722
9	S	B	-0.2905
10	S	B	-0.2557
11	T	B	-0.3743
12	K	B	-1.6115
13	Y	B	0.5116
14	V	B	2.0117
15	Y	B	1.1278
16	T	B	0.0209
17	N	B	0.0000
18	S	B	-0.2825
19	N	B	-0.5005
20	G	B	-0.4748
21	L	B	0.0000
22	N	B	-0.5141
23	F	B	0.0000
24	T	B	0.0114
25	Q	B	-0.1789
26	M	B	0.0939
27	N	B	-0.8576
28	P	B	-0.4931
29	G	B	-0.4592
30	L	B	0.1995
31	P	B	-0.0435
32	N	B	-0.1699
33	I	B	0.0000
34	T	B	0.0000
35	I	B	0.0000
36	F	B	0.0000
37	G	B	0.0000
38	T	B	0.0000
39	G	B	0.0000
40	G	B	0.0000
41	T	B	0.0000
42	I	B	0.0000
43	A	B	0.0000
44	G	B	0.0000
45	S	B	-0.0839
46	G	B	-0.0718
47	S	B	-0.2492
48	S	B	-0.1728
49	S	B	-0.0880
50	T	B	-0.0240
51	A	B	-0.0034
52	T	B	-0.0136
53	T	B	-0.0830
54	G	B	-0.4308
55	Y	B	0.2893
56	T	B	0.0027
57	A	B	-0.0097
58	G	B	-0.0677
59	A	B	0.1137
60	V	B	0.3701
61	G	B	-0.1142
62	I	B	0.0000
63	L	B	0.1467
64	D	B	-0.9547
65	L	B	0.0000
66	I	B	0.0000
67	D	B	-1.0036
68	A	B	-0.1233
69	V	B	0.0000
70	P	B	-0.2603
71	S	B	-0.0754
72	M	B	0.0000
73	L	B	0.1672
74	N	B	-1.1386
75	V	B	0.1289
76	S	B	0.0000
77	N	B	0.0000
78	I	B	0.0000
79	A	B	0.0000
80	G	B	-0.0557
81	V	B	0.1922
82	Q	B	-0.6052
83	V	B	0.3176
84	A	B	-0.1422
85	N	B	-1.1840
86	V	B	0.2410
87	G	B	0.0211
88	S	B	0.0000
89	E	B	-0.4727
90	D	B	-0.5557
91	I	B	0.0000
92	T	B	-0.0254
93	S	B	0.0000
94	D	B	-1.7360
95	I	B	-0.0271
96	L	B	0.0000
97	I	B	0.0000
98	S	B	-0.1494
99	L	B	0.0000
100	S	B	0.0000
101	K	B	-0.6549
102	S	B	-0.1534
103	I	B	0.0000
104	N	B	-0.6413
105	K	B	-1.7231
106	L	B	-0.1039
107	V	B	0.0000
108	C	B	0.0000
109	D	B	-1.8215
110	D	B	-0.5387
111	S	B	-0.2579
112	T	B	-0.1090
113	M	B	0.0000
114	A	B	0.0157
115	G	B	0.0000
116	A	B	0.0000
117	V	B	0.0000
118	I	B	0.0000
119	T	B	0.0000
120	H	B	0.0000
121	G	B	0.0000
122	T	B	0.0000
123	D	B	-0.2203
124	T	B	0.0000
125	L	B	0.0000
126	E	B	0.0000
127	E	B	0.0000
128	T	B	0.0000
129	A	B	0.0000
130	F	B	0.0000
131	F	B	0.0000
132	L	B	0.0000
133	D	B	0.0000
134	A	B	0.0000
135	T	B	0.0000
136	I	B	0.0000
137	N	B	-1.1639
138	C	B	0.3586
139	G	B	-0.2348
140	K	B	-0.3368
141	P	B	0.0000
142	V	B	0.0000
143	V	B	0.0000
144	I	B	0.0000
145	V	B	0.0000
146	G	B	0.0000
147	A	B	0.0000
148	M	B	0.0000
149	R	B	0.0000
150	P	B	0.0000
151	S	B	-0.0948
152	T	B	-0.0551
153	A	B	0.0000
154	T	B	-0.0163
155	S	B	-0.0286
156	A	B	0.0000
157	D	B	0.0000
158	G	B	0.0000
159	P	B	-0.0545
160	F	B	0.0000
161	N	B	0.0000
162	L	B	0.0000
163	L	B	0.0000
164	E	B	0.0000
165	A	B	0.0000
166	V	B	0.0000
167	T	B	0.0000
168	V	B	0.0000
169	A	B	0.0000
170	A	B	0.0024
171	S	B	-0.0673
172	P	B	-0.4078
173	K	B	-0.8782
174	A	B	0.0000
175	V	B	0.4774
176	N	B	-1.1620
177	R	B	0.0000
178	G	B	-0.1671
179	A	B	0.0000
180	M	B	0.0000
181	V	B	0.0000
182	V	B	0.0000
183	M	B	0.0000
184	N	B	0.0000
185	D	B	0.0000
186	R	B	0.0000
187	I	B	0.0000
188	A	B	0.0000
189	S	B	0.0000
190	A	B	0.0000
191	Y	B	0.0000
192	Y	B	0.0000
193	V	B	0.0000
194	T	B	0.0000
195	K	B	0.0000
196	T	B	0.0000
197	N	B	0.0000
198	A	B	0.0000
199	N	B	-0.2246
200	T	B	0.0000
201	M	B	0.0000
202	D	B	-0.2215
203	T	B	0.0000
204	F	B	0.0000
205	K	B	-0.4526
206	A	B	0.0000
207	I	B	0.7961
208	E	B	0.0000
209	M	B	0.0000
210	G	B	0.0000
211	F	B	0.2342
212	L	B	0.2011
213	G	B	0.0000
214	E	B	0.0000
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179	A	D	0.0000
180	M	D	0.0000
181	V	D	0.0000
182	V	D	0.0000
183	M	D	0.0000
184	N	D	0.0000
185	D	D	0.0000
186	R	D	0.0000
187	I	D	0.0000
188	A	D	0.0000
189	S	D	0.0000
190	A	D	0.0000
191	Y	D	0.0000
192	Y	D	0.0000
193	V	D	0.0000
194	T	D	0.0000
195	K	D	0.0000
196	T	D	0.0000
197	N	D	0.0000
198	A	D	0.0000
199	N	D	-0.2222
200	T	D	0.0000
201	M	D	0.0000
202	D	D	-0.2227
203	T	D	0.0000
204	F	D	0.0000
205	K	D	-0.4670
206	A	D	0.0000
207	I	D	0.8882
208	E	D	0.0000
209	M	D	0.0000
210	G	D	0.0000
211	F	D	0.2270
212	L	D	0.2163
213	G	D	0.0000
214	E	D	0.0000
215	M	D	0.0000
216	I	D	0.0000
217	S	D	-0.0713
218	N	D	-0.1516
219	T	D	-0.0447
220	P	D	0.0000
221	F	D	0.0000
222	F	D	0.0000
223	F	D	0.0000
224	Y	D	0.1378
225	P	D	-0.1177
226	P	D	-0.1163
227	V	D	0.0447
228	K	D	-0.9585
229	P	D	0.0000
230	T	D	-0.0372
231	G	D	0.0393
232	K	D	-0.1282
233	V	D	0.0418
234	E	D	-1.1899
235	F	D	0.0000
236	D	D	-1.7894
237	I	D	0.0000
238	T	D	-0.0604
239	A	D	0.0441
240	T	D	-0.3061
241	K	D	-2.0348
242	E	D	-2.0833
243	I	D	-0.0789
244	P	D	-0.0515
245	R	D	-0.2616
246	V	D	0.0000
247	D	D	0.0000
248	I	D	0.0000
249	L	D	0.1613
250	Y	D	0.0000
251	A	D	0.0000
252	Y	D	0.0000
253	E	D	0.0000
254	D	D	-0.3366
255	M	D	-0.0025
256	H	D	-0.4147
257	N	D	-1.1070
258	D	D	-0.6205
259	T	D	-0.0893
260	L	D	0.0000
261	Y	D	0.3835
262	S	D	-0.1443
263	A	D	0.0000
264	V	D	-0.0787
265	E	D	-1.8341
266	N	D	-0.6731
267	G	D	-0.2587
268	A	D	0.0000
269	Q	D	-1.1082
270	G	D	0.0000
271	I	D	0.0000
272	V	D	0.0000
273	I	D	0.0000
274	A	D	0.0000
275	G	D	0.0000
276	A	D	0.0000
277	G	D	0.0000
278	A	D	0.0074
279	G	D	0.0000
280	G	D	-0.0539
281	V	D	0.0000
282	S	D	0.0000
283	T	D	-0.1092
284	S	D	-0.2256
285	F	D	0.0000
286	N	D	-0.4788
287	H	D	-1.0442
288	A	D	0.0000
289	I	D	0.0000
290	E	D	-0.2555
291	D	D	-0.4702
292	V	D	0.0000
293	I	D	0.0000
294	N	D	-1.1286
295	R	D	-1.8338
296	F	D	0.1871
297	K	D	-1.5158
298	I	D	-0.1148
299	P	D	0.0000
300	V	D	0.0000
301	V	D	0.0000
302	Q	D	0.0000
303	S	D	0.0000
304	M	D	0.0000
305	R	D	-0.1973
306	T	D	0.0000
307	V	D	0.2348
308	N	D	0.0000
309	G	D	0.0000
310	E	D	0.0000
311	V	D	0.0000
312	P	D	0.0000
313	L	D	0.2226
314	S	D	-0.2810
315	D	D	-0.7288
316	V	D	0.0000
317	N	D	-1.2877
318	S	D	-0.3258
319	T	D	-0.1241
320	S	D	-0.2257
321	A	D	0.0000
322	I	D	0.9857
323	H	D	0.0000
324	I	D	0.0000
325	A	D	0.0000
326	S	D	0.0000
327	G	D	0.0000
328	Y	D	0.0000
329	L	D	0.0000
330	N	D	0.0000
331	P	D	0.0000
332	Q	D	0.0000
333	K	D	0.0000
334	S	D	0.0000
335	R	D	0.0000
336	I	D	0.0000
337	L	D	0.0000
338	L	D	0.0000
339	G	D	0.0000
340	L	D	0.0000
341	L	D	0.0000
342	L	D	0.2199
343	S	D	-0.3616
344	E	D	-1.8232
345	A	D	-0.3633
346	R	D	-0.6808
347	T	D	-0.1536
348	L	D	0.2072
349	T	D	-0.1561
350	D	D	-0.7609
351	I	D	0.0000
352	R	D	-0.4222
353	S	D	-0.2279
354	V	D	0.0000
355	F	D	0.0000
356	S	D	0.1664
357	L	D	1.1170
358	G	D	0.1382
359	T	D	0.0000
360	V	D	0.2033
361	S	D	-0.1685

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	-0.1206	1.8687
4.5	-0.1313	1.8687
5.0	-0.1431	1.8687
5.5	-0.1534	1.8687
6.0	-0.1602	1.8687
6.5	-0.1627	1.8687
7.0	-0.1618	1.8687
7.5	-0.1588	1.8687
8.0	-0.1543	1.8687
8.5	-0.1482	1.8687
9.0	-0.1402	1.8687