Project name: query_structure

Chain sequence(s)	B: GSVYPKKTHWTAEITPNLHGTEVVVAGWVASLGDYGRVKIVKVSDREGGAAVSVYYLEYGKTPDHLFKVFAELSREDVVVIKGIVEASKAAGVEIFPSEIWILNKA
Selected Chain(s)	B
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 B 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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.8658
• Maximal score value: 1.8859
• Average score: -0.7795
• Total score value: -81.8433

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	B	-0.1559
0	S	B	0.6546
1	V	B	1.8859
2	Y	B	1.5298
3	P	B	-0.1274
4	K	B	-1.5126
5	K	B	-1.0784
6	T	B	-1.0864
7	H	B	-0.8029
8	W	B	-0.2848
9	T	B	0.0000
10	A	B	-0.7676
11	E	B	-1.3843
12	I	B	0.0000
13	T	B	-1.1175
14	P	B	-1.3689
15	N	B	-1.7419
16	L	B	-1.3617
17	H	B	-1.8021
18	G	B	-1.3430
19	T	B	-1.3290
20	E	B	-1.8876
21	V	B	0.0000
22	V	B	0.0000
23	V	B	0.0000
24	A	B	-0.0790
25	G	B	-0.1984
26	W	B	-0.9248
27	V	B	0.0000
28	A	B	-0.9646
29	S	B	-0.6986
30	L	B	-0.2185
31	G	B	-0.3005
32	D	B	-1.2977
33	Y	B	-0.0710
34	G	B	-0.8956
35	R	B	-1.6079
36	V	B	-0.5983
37	K	B	-0.4891
38	I	B	0.0326
39	V	B	0.0000
40	K	B	-0.6774
41	V	B	0.0000
42	S	B	0.0000
43	D	B	-1.1217
44	R	B	-2.4635
45	E	B	-2.8658
46	G	B	-1.9105
47	G	B	-1.7189
48	A	B	-1.0123
49	A	B	-0.7833
50	V	B	0.0000
51	S	B	-0.2763
52	V	B	0.0000
53	Y	B	0.0000
54	L	B	0.0000
55	E	B	-1.0853
56	Y	B	-0.6830
57	G	B	-1.3948
58	K	B	-1.9503
59	T	B	0.0000
60	P	B	-1.8959
61	D	B	-2.7002
62	H	B	-2.2833
63	L	B	0.0000
64	F	B	-1.5744
65	K	B	-2.5510
66	V	B	-1.3895
67	F	B	0.0000
68	A	B	-1.4507
69	E	B	-2.2036
70	L	B	0.0000
71	S	B	-1.9264
72	R	B	-2.7535
73	E	B	-2.8347
74	D	B	0.0000
75	V	B	-0.4198
76	V	B	0.0000
77	V	B	0.0000
78	I	B	0.0000
79	K	B	-0.9961
80	G	B	0.0000
81	I	B	-0.5421
82	V	B	0.0000
83	E	B	-1.3099
84	A	B	-1.3115
85	S	B	-1.2748
86	K	B	-1.7615
87	A	B	-0.8139
88	A	B	-0.5799
93	G	B	-0.7879
94	V	B	-0.8185
95	E	B	-0.6115
96	I	B	0.0000
97	F	B	-0.3335
98	P	B	0.0000
99	S	B	-0.6886
100	E	B	-0.5277
101	I	B	0.0000
102	W	B	0.9703
103	I	B	0.3765
104	L	B	0.4371
105	N	B	-1.5182
106	K	B	-2.6798
107	A	B	-1.7526