Project name: e76d8a721e08687

Chain sequence(s)	A: MSSGNILWGSQNPIVFKNSFGVSNADTGSQDDLSQQNPFAEGYGVLLILLMVIQAIANNKFIEVQKNAERARNTQEKSNEMDEVIAKAAKGDAKTKEEVPEDVIKYMRDNGILIDGMTIDDYMAKYGDHGKLDKGGLQAIKAALDNDANRNTDLMSQGQITIQKMSQELNAVLTQLTGLISKWGEISSMIAQKTYS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:36)

• Minimal score value: -3.8602
• Maximal score value: 3.5646
• Average score: -1.1261
• Total score value: -220.7151

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
1	M	A	0.8309
2	S	A	-0.1014
3	S	A	-0.6766
4	G	A	-0.7256
5	N	A	-0.8074
6	I	A	0.5622
7	L	A	1.3165
8	W	A	0.6377
9	G	A	-0.1613
10	S	A	-1.0546
11	Q	A	-1.9811
12	N	A	-1.6244
13	P	A	-0.1517
14	I	A	1.1939
15	V	A	2.0276
16	F	A	1.3810
17	K	A	-1.0120
18	N	A	-1.1412
19	S	A	-0.6211
20	F	A	0.1749
21	G	A	0.3065
22	V	A	1.3161
23	S	A	-0.4815
24	N	A	-1.7130
25	A	A	-1.5619
26	D	A	-2.4883
27	T	A	-1.7214
28	G	A	-1.7444
29	S	A	-1.8468
30	Q	A	-2.9878
31	D	A	-3.2182
32	D	A	-2.5857
33	L	A	-0.5654
34	S	A	-1.3499
35	Q	A	-2.6606
36	Q	A	-2.2473
37	N	A	0.0000
38	P	A	-1.1161
39	F	A	-0.3149
40	A	A	-0.8828
41	E	A	-1.7282
42	G	A	-0.1290
43	Y	A	0.5504
44	G	A	0.8267
45	V	A	2.2994
46	L	A	1.8762
47	L	A	0.0000
48	I	A	3.5646
49	L	A	2.5550
50	L	A	0.0000
51	M	A	2.6262
52	V	A	2.4316
53	I	A	0.0000
54	Q	A	0.6125
55	A	A	0.4610
56	I	A	0.8136
57	A	A	0.0000
58	N	A	-0.2538
59	N	A	-0.7643
60	K	A	-0.9936
61	F	A	0.0921
62	I	A	0.1777
63	E	A	-1.8341
64	V	A	0.0000
65	Q	A	-2.1533
66	K	A	-2.8166
67	N	A	-2.5092
68	A	A	0.0000
69	E	A	-3.8004
70	R	A	-3.2744
71	A	A	0.0000
72	R	A	-3.7584
73	N	A	-2.9628
74	T	A	0.0000
75	Q	A	-3.8088
76	E	A	-3.8602
77	K	A	-3.0858
78	S	A	0.0000
79	N	A	-3.7665
80	E	A	-3.5947
81	M	A	0.0000
82	D	A	-3.4716
83	E	A	-3.4725
84	V	A	0.0000
85	I	A	-2.9223
86	A	A	-2.3111
87	K	A	-3.2522
88	A	A	0.0000
89	A	A	-2.5383
90	K	A	-2.6938
91	G	A	-2.9251
92	D	A	-3.1461
93	A	A	-2.4388
94	K	A	-2.9610
95	T	A	-2.8934
96	K	A	-3.3175
97	E	A	-3.1512
98	E	A	-3.4164
99	V	A	0.0000
100	P	A	-2.4571
101	E	A	-2.9649
102	D	A	-2.7735
103	V	A	0.0000
104	I	A	-2.3442
105	K	A	-3.6016
106	Y	A	-2.5367
107	M	A	0.0000
108	R	A	-3.2948
109	D	A	-3.1879
110	N	A	-1.9965
111	G	A	-1.5137
112	I	A	0.0000
113	L	A	-0.2245
114	I	A	0.0000
115	D	A	-1.6715
116	G	A	-1.0263
117	M	A	-1.0827
118	T	A	-1.1651
119	I	A	0.0000
120	D	A	-2.3845
121	D	A	-2.1616
122	Y	A	0.0000
123	M	A	-1.5194
124	A	A	-1.7503
125	K	A	-1.9456
126	Y	A	-0.6906
127	G	A	-2.1608
128	D	A	-2.8464
129	H	A	-2.4704
130	G	A	-2.4733
131	K	A	-2.9802
132	L	A	0.0000
133	D	A	-3.0247
134	K	A	-2.9845
135	G	A	-1.7108
136	G	A	0.0000
137	L	A	0.0000
138	Q	A	-1.6981
139	A	A	-0.9942
140	I	A	0.0000
141	K	A	-1.5775
142	A	A	-0.8942
143	A	A	-0.8259
144	L	A	0.0000
145	D	A	-2.1099
146	N	A	-2.0103
147	D	A	-2.0194
148	A	A	0.0000
149	N	A	-3.0588
150	R	A	-2.9777
151	N	A	0.0000
152	T	A	-2.0645
153	D	A	-2.0418
154	L	A	-0.7490
155	M	A	-1.4590
156	S	A	-0.6654
157	Q	A	-0.7073
158	G	A	-0.8553
159	Q	A	-1.0434
160	I	A	0.4157
161	T	A	-0.5589
162	I	A	-1.1633
163	Q	A	-2.1604
164	K	A	-2.8605
165	M	A	0.0000
166	S	A	-2.2411
167	Q	A	-3.2167
168	E	A	-3.0274
169	L	A	0.0000
170	N	A	-2.2381
171	A	A	-1.4722
172	V	A	0.0000
173	L	A	-0.3073
174	T	A	-0.4909
175	Q	A	-0.5754
176	L	A	0.0000
177	T	A	0.1070
178	G	A	-0.2770
179	L	A	-0.0164
180	I	A	0.5482
181	S	A	-0.7608
182	K	A	-1.5182
183	W	A	-0.4820
184	G	A	-0.8608
185	E	A	-1.6846
186	I	A	-0.3361
187	S	A	0.0114
188	S	A	-0.7722
189	M	A	-0.0942
190	I	A	0.3507
191	A	A	-0.4236
192	Q	A	-1.1010
193	K	A	-1.4880
194	T	A	-0.3442
195	Y	A	0.4206
196	S	A	-0.4861