Project name: query_structure

Chain sequence(s)	A: GSARDDVLIGDAGANVLEGLAGNDVLSGGAGDDHLVGDEGSDLLSGDAGNDYLCGGQGDDTYLFGVGYGHDAISESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPD
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             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.2018
• Maximal score value: 2.1735
• Average score: -0.9738
• Total score value: -148.0243

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	G	A	-0.8785
2	S	A	-1.0559
3	A	A	-1.5411
4	R	A	-2.8284
5	D	A	-2.7718
6	D	A	-0.7388
7	V	A	1.7627
8	L	A	1.7031
9	I	A	2.1735
10	G	A	0.2118
11	D	A	-1.4721
12	A	A	-1.2331
13	G	A	-1.0609
14	A	A	-0.9944
15	N	A	-0.0943
16	V	A	1.1181
17	L	A	0.6303
18	E	A	-0.9183
19	G	A	0.0000
20	L	A	-1.0435
21	A	A	-1.9362
22	G	A	-2.5062
23	N	A	-2.4753
24	D	A	0.0000
25	V	A	1.2178
26	L	A	0.0000
27	S	A	0.9530
28	G	A	0.0000
29	G	A	-0.6666
30	A	A	-1.2740
31	G	A	-1.8030
32	D	A	-2.3559
33	D	A	0.0000
34	H	A	-0.2040
35	L	A	0.0000
36	V	A	-0.1315
37	G	A	0.0000
38	D	A	-1.8738
39	E	A	-2.7187
40	G	A	-2.5865
41	S	A	-2.1233
42	D	A	0.0000
43	L	A	0.4790
44	L	A	0.0000
45	S	A	0.0000
46	G	A	0.0000
47	D	A	-0.6544
48	A	A	-0.7703
49	G	A	-1.7028
50	N	A	-2.2965
51	D	A	0.0000
52	Y	A	-0.0921
53	L	A	0.0000
54	C	A	-0.2151
55	G	A	0.0000
56	G	A	-1.6021
57	Q	A	-2.6924
58	G	A	-2.6150
59	D	A	-2.7682
60	D	A	0.0000
61	T	A	-0.4917
62	Y	A	0.0000
63	L	A	-0.5822
64	F	A	0.0000
65	G	A	0.0000
66	V	A	1.0229
67	G	A	0.0013
68	Y	A	-0.3327
69	G	A	-1.3558
70	H	A	-1.8331
71	D	A	0.0000
72	A	A	-0.3999
73	I	A	0.0000
74	S	A	-0.2851
75	E	A	0.0000
76	S	A	-1.3166
77	G	A	-1.8581
78	G	A	-2.0008
79	G	A	-2.3070
80	H	A	-2.1172
81	D	A	0.0000
82	T	A	-1.2132
83	I	A	0.0000
84	R	A	-2.0411
85	I	A	0.0000
86	N	A	-1.4576
87	A	A	0.0000
88	G	A	-1.7720
89	A	A	-1.7446
90	D	A	-2.2367
91	Q	A	-1.8886
92	L	A	0.0000
93	W	A	-0.2243
94	F	A	0.0000
95	A	A	-1.5883
96	R	A	-3.0292
97	Q	A	-2.7135
98	G	A	-2.4603
99	N	A	-3.1389
100	D	A	-2.6337
101	L	A	0.0000
102	E	A	-1.3604
103	I	A	0.0000
104	R	A	-0.6011
105	I	A	0.0000
106	L	A	-0.2339
107	G	A	-0.5021
108	T	A	-0.7677
109	D	A	-1.7746
110	D	A	0.0000
111	A	A	-0.7705
112	L	A	0.0000
113	T	A	0.0000
114	V	A	0.0000
115	H	A	-1.5763
116	D	A	-2.6228
117	W	A	0.0000
118	Y	A	-2.4558
119	R	A	-3.2018
120	D	A	-2.5692
121	A	A	-1.9637
122	D	A	-2.8493
123	H	A	-2.3195
124	R	A	-1.9841
125	V	A	0.0000
126	E	A	-1.8833
127	I	A	-1.1216
128	I	A	0.0000
129	H	A	-1.7550
130	A	A	0.0000
131	A	A	-1.6786
132	N	A	-2.1205
133	Q	A	-1.9796
134	A	A	-1.2663
135	V	A	-1.1097
136	D	A	-2.0028
137	Q	A	-1.4793
138	A	A	-1.1548
139	G	A	-1.4018
140	I	A	0.0000
141	E	A	-2.0923
142	K	A	-2.3440
143	L	A	-1.0596
144	V	A	0.0000
145	E	A	-2.6591
146	A	A	-1.2715
147	M	A	-0.8887
148	A	A	-1.2488
149	Q	A	-1.1219
150	Y	A	0.0197
151	P	A	-0.7326
152	D	A	-1.6757