Project name: 6da89bacdcc6e27

Chain sequence(s)	A: ETITVSTPIKQIFPDDAFAETIKANLKKKSVTDAVTQNELNSIDLISAPHSDIKSVQGIQYLPNVRLLYLGGNKLHDISALKELTNLTTLILSGNQLQSLPNGVFDKLTNLKVLWLSVNQLQSLPDGVFDKLTNLTSLRLHRNQLQSLPKGVFDKLTNLTVLRLSENQLQSLPEGVFDKLTQLKVLWLGRNQLKSVPDGVFDRLTSLQYIWLHDNPWDCTCPGIRYLSEWINKHSGVVRNSAGSVAPDSAKCSGSGKPVRSIICP
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -3.3315
• Maximal score value: 1.6677
• Average score: -0.9821
• Total score value: -260.2599

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
2	E	A	-2.0822
3	T	A	-0.8593
4	I	A	0.1058
5	T	A	0.6170
6	V	A	1.6677
7	S	A	0.5775
8	T	A	-0.2433
9	P	A	-1.1784
10	I	A	0.0000
11	K	A	-2.9884
12	Q	A	-2.1671
13	I	A	0.0000
14	F	A	0.0000
15	P	A	-2.0297
16	D	A	-2.4890
17	D	A	-2.9749
18	A	A	-2.2017
19	F	A	0.0000
20	A	A	0.0000
21	E	A	-2.4165
22	T	A	-1.2735
23	I	A	0.0000
24	K	A	-2.0040
25	A	A	-1.5789
26	N	A	-1.2077
27	L	A	-1.4894
28	K	A	-2.4044
29	K	A	-2.4220
30	K	A	-2.5659
31	S	A	-1.8041
32	V	A	-1.7972
33	T	A	-1.3377
34	D	A	-1.2373
35	A	A	-0.5098
36	V	A	0.0000
37	T	A	-0.4136
38	Q	A	-0.9519
39	N	A	-1.7811
40	E	A	-1.3348
41	L	A	0.0000
42	N	A	-1.5513
43	S	A	-1.2150
44	I	A	0.0000
45	D	A	-1.1946
46	L	A	0.1344
47	I	A	0.0000
48	S	A	0.0424
49	A	A	0.0000
50	P	A	-0.8547
51	H	A	-1.5790
52	S	A	-1.6580
53	D	A	-2.3208
54	I	A	0.0000
55	K	A	-3.1382
56	S	A	-2.1964
57	V	A	0.0000
58	Q	A	-1.3306
59	G	A	0.0000
60	I	A	0.0000
61	Q	A	-1.3306
62	Y	A	-0.9844
63	L	A	0.0000
64	P	A	-1.6849
65	N	A	-1.5490
66	V	A	0.0000
67	R	A	-1.4521
68	L	A	-0.1278
69	L	A	0.0000
70	Y	A	0.5775
71	L	A	0.0000
72	G	A	-0.3419
73	G	A	-0.9945
74	N	A	0.0000
75	K	A	-2.5645
76	L	A	0.0000
77	H	A	-2.9287
78	D	A	-2.8835
79	I	A	0.0000
80	S	A	-1.3167
81	A	A	-1.1452
82	L	A	0.0000
83	K	A	-2.1828
84	E	A	-3.0974
85	L	A	0.0000
86	T	A	-2.1539
87	N	A	-2.1272
88	L	A	0.0000
89	T	A	-0.9984
90	T	A	-0.1771
91	L	A	0.0000
92	I	A	0.0000
93	L	A	0.0000
94	S	A	-0.1373
95	G	A	-0.6354
96	N	A	0.0000
97	Q	A	-2.2323
98	L	A	0.0000
99	Q	A	-2.4790
100	S	A	-1.8529
101	L	A	0.0000
102	P	A	-1.1318
103	N	A	-1.8557
104	G	A	-1.8610
105	V	A	0.0000
106	F	A	0.0000
107	D	A	-2.4588
108	K	A	-3.0010
109	L	A	0.0000
110	T	A	-1.9052
111	N	A	-1.9914
112	L	A	0.0000
113	K	A	-1.1046
114	V	A	-0.1261
115	L	A	0.0000
116	W	A	0.3672
117	L	A	0.0000
118	S	A	0.0000
119	V	A	-0.4810
120	N	A	0.0000
121	Q	A	-1.8008
122	L	A	0.0000
123	Q	A	-2.1983
124	S	A	-1.6221
125	L	A	0.0000
126	P	A	-1.5503
127	D	A	-2.5452
128	G	A	-2.2333
129	V	A	0.0000
130	F	A	0.0000
131	D	A	-2.2040
132	K	A	-2.6128
133	L	A	0.0000
134	T	A	-1.8086
135	N	A	-1.6752
136	L	A	0.0000
137	T	A	-0.7085
138	S	A	-0.2311
139	L	A	0.0000
140	R	A	-0.3841
141	L	A	0.0000
142	H	A	-1.1261
143	R	A	-1.9384
144	N	A	0.0000
145	Q	A	-2.0095
146	L	A	0.0000
147	Q	A	-2.3536
148	S	A	-1.6703
149	L	A	0.0000
150	P	A	-1.5253
151	K	A	-2.5583
152	G	A	-2.2242
153	V	A	0.0000
154	F	A	0.0000
155	D	A	-2.1893
156	K	A	-2.7336
157	L	A	0.0000
158	T	A	-1.8677
159	N	A	-1.8819
160	L	A	0.0000
161	T	A	-0.9281
162	V	A	-0.3035
163	L	A	0.0000
164	R	A	-0.5375
165	L	A	0.0000
166	S	A	0.0000
167	E	A	-1.9878
168	N	A	0.0000
169	Q	A	-2.3116
170	L	A	0.0000
171	Q	A	-2.4953
172	S	A	-1.8512
173	L	A	0.0000
174	P	A	-1.5804
175	E	A	-2.6414
176	G	A	-2.4258
177	V	A	0.0000
178	F	A	0.0000
179	D	A	-2.4919
180	K	A	-2.7146
181	L	A	0.0000
182	T	A	-2.1329
183	Q	A	-2.0169
184	L	A	0.0000
185	K	A	-1.6140
186	V	A	-0.5014
187	L	A	0.0000
188	W	A	-0.0828
189	L	A	0.0000
190	G	A	0.0000
191	R	A	-2.3828
192	N	A	0.0000
193	Q	A	-2.6542
194	L	A	0.0000
195	K	A	-2.7466
196	S	A	-1.9154
197	V	A	0.0000
198	P	A	-1.6217
199	D	A	-2.5981
200	G	A	-2.1900
201	V	A	0.0000
202	F	A	0.0000
203	D	A	-3.0774
204	R	A	-3.3315
205	L	A	0.0000
206	T	A	-1.5940
207	S	A	-1.2833
208	L	A	0.0000
209	Q	A	-1.3660
210	Y	A	-0.1315
211	I	A	0.0000
212	W	A	-0.1772
213	L	A	0.0000
214	H	A	0.0000
215	D	A	-2.6968
216	N	A	0.0000
217	P	A	-2.2276
218	W	A	0.0000
219	D	A	-2.0073
220	C	A	-1.2596
221	T	A	-0.2559
222	C	A	-0.0537
223	P	A	-0.3672
224	G	A	-1.4180
225	I	A	0.0000
226	R	A	-1.4561
227	Y	A	-1.7776
228	L	A	0.0000
229	S	A	0.0000
230	E	A	-2.7005
231	W	A	0.0000
232	I	A	0.0000
233	N	A	-2.9497
234	K	A	-2.9697
235	H	A	-1.9312
236	S	A	-1.4151
237	G	A	-0.6454
238	V	A	-0.3820
239	V	A	0.0000
240	R	A	-0.2067
241	N	A	-0.6475
242	S	A	-0.7076
243	A	A	-0.1991
244	G	A	-0.1613
245	S	A	0.1808
246	V	A	0.9046
247	A	A	0.0173
248	P	A	-1.0002
249	D	A	-1.6021
250	S	A	-1.3500
251	A	A	0.0000
252	K	A	-2.6728
253	C	A	0.0000
254	S	A	-1.9113
255	G	A	-1.3065
256	S	A	-1.4114
257	G	A	-1.9707
258	K	A	-2.6062
259	P	A	-1.9412
260	V	A	0.0000
261	R	A	-1.8164
262	S	A	-0.7571
263	I	A	0.4212
264	I	A	1.5848
265	C	A	0.5480
266	P	A	0.1912