Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPGISQGYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYSRPLPSKPISINYRT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.6119
• Maximal score value: 1.5582
• Average score: -0.7121
• Total score value: -64.0921

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	1.5582
2	S	A	-0.0296
3	D	A	-0.3254
4	V	A	-1.2471
5	P	A	0.0000
6	R	A	-3.5901
7	D	A	-3.6119
8	L	A	0.0000
9	E	A	-2.1968
10	V	A	0.0830
11	V	A	1.5292
12	A	A	0.8876
13	A	A	0.2962
14	T	A	-0.5333
15	P	A	-1.1364
16	T	A	-1.0045
17	S	A	-0.5359
18	L	A	0.0000
19	L	A	0.7268
20	I	A	0.0000
21	S	A	-1.2051
22	W	A	0.0000
23	D	A	-3.4886
24	A	A	-1.8246
25	P	A	-0.6121
26	G	A	-0.5415
27	I	A	0.0875
28	S	A	-0.6748
29	Q	A	-1.3389
30	G	A	-0.7131
31	Y	A	-0.1234
32	Y	A	0.0000
33	R	A	-0.3493
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3794
37	G	A	0.0000
38	E	A	-1.5543
39	T	A	-1.2231
40	G	A	-1.2320
41	G	A	-1.3595
42	N	A	-1.5335
43	S	A	-0.8753
44	P	A	-0.3798
45	V	A	0.3224
46	Q	A	-1.0990
47	E	A	-1.6050
48	F	A	-0.6284
49	T	A	-0.1220
50	V	A	0.0000
51	P	A	-0.8057
52	G	A	-0.7683
53	S	A	-1.1649
54	K	A	-1.9056
55	S	A	-1.3497
56	T	A	-0.7466
57	A	A	0.0000
58	T	A	0.2327
59	I	A	0.0000
60	S	A	-0.6583
61	G	A	-1.0282
62	L	A	0.0000
63	K	A	-2.3703
64	P	A	-1.6737
65	G	A	-1.4511
66	V	A	-1.4391
67	D	A	-2.0674
68	Y	A	0.0000
69	T	A	-0.7540
70	I	A	0.0000
71	T	A	-0.1042
72	V	A	0.0000
73	Y	A	-0.0810
74	A	A	0.0000
75	Y	A	-0.1065
76	S	A	0.0000
77	R	A	-1.5469
78	P	A	-0.5622
79	L	A	0.5053
80	P	A	-0.2188
81	S	A	-0.7483
82	K	A	-1.5359
83	P	A	-0.9154
84	I	A	-0.6312
85	S	A	-0.6431
86	I	A	-0.6937
87	N	A	-1.6995
88	Y	A	-1.4337
89	R	A	-2.5117
90	T	A	-1.6323