Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDYYHITYGETGGGSSGQEFTVPGSKSTATISGLSPGVDYTITVYAWMYDGYEYTYQGTSPISINYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.3785
• Maximal score value: 1.8345
• Average score: -0.406
• Total score value: -38.9803

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	V	A	1.8345
2	S	A	0.7410
3	S	A	0.6364
4	V	A	0.5554
5	P	A	0.0000
6	T	A	-1.2833
7	K	A	-2.3785
8	L	A	0.0000
9	E	A	-1.7878
10	V	A	0.0747
11	V	A	1.5186
12	A	A	0.8777
13	A	A	0.2957
14	T	A	-0.3887
15	P	A	-0.8101
16	T	A	-0.5337
17	S	A	-0.3265
18	L	A	0.0000
19	L	A	0.7112
20	I	A	0.0000
21	S	A	-0.7837
22	W	A	0.0000
23	D	A	-1.7181
24	A	A	-0.7785
25	P	A	0.3151
26	A	A	0.6571
27	V	A	0.8645
28	T	A	0.3173
29	V	A	0.0000
30	D	A	-0.1363
31	Y	A	0.5409
32	Y	A	0.0000
33	H	A	0.1394
34	I	A	0.0000
35	T	A	-1.1699
36	Y	A	0.0000
37	G	A	-1.5748
38	E	A	-1.6919
39	T	A	-1.4014
40	G	A	-1.1003
41	G	A	-1.2706
42	G	A	-1.0687
43	S	A	-1.1419
44	S	A	-1.2471
45	G	A	-1.7583
46	Q	A	-2.3385
47	E	A	-2.2951
48	F	A	-0.6948
49	T	A	0.0337
50	V	A	0.0000
51	P	A	-0.6234
52	G	A	-0.7524
53	S	A	-1.1500
54	K	A	-1.9601
55	S	A	-1.1216
56	T	A	-0.6450
57	A	A	0.0000
58	T	A	0.2815
59	I	A	0.0000
60	S	A	-0.4788
61	G	A	-0.8139
62	L	A	0.0000
63	S	A	-0.8529
64	P	A	-1.0013
65	G	A	-1.0917
66	V	A	-0.9199
67	D	A	-1.9130
68	Y	A	0.0000
69	T	A	-1.0448
70	I	A	0.0000
71	T	A	-0.3673
72	V	A	0.0000
73	Y	A	0.6280
74	A	A	0.0000
75	W	A	0.8834
76	M	A	0.0000
77	Y	A	0.7677
78	D	A	-0.4563
79	G	A	-0.2573
80	Y	A	0.3638
81	E	A	-0.6769
82	Y	A	0.5877
83	T	A	0.5181
84	Y	A	0.9845
85	Q	A	0.1935
86	G	A	-0.0380
87	T	A	-0.1130
88	S	A	-0.1251
89	P	A	0.1093
90	I	A	-0.1057
91	S	A	-0.5405
92	I	A	-0.7636
93	N	A	-1.7803
94	Y	A	-1.4632
95	R	A	-2.3554
96	T	A	-1.3211