Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDFYVITYGETGGWWYAAQEFTVPGSKSTATISGLKPGVDYTITVYAYPDHHYQGRSPISINYRT
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.373
• Maximal score value: 2.0523
• Average score: -0.7389
• Total score value: -68.7222

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	1.7270
2	S	A	0.3434
3	D	A	-0.2404
4	V	A	-0.7398
5	P	A	0.0000
6	R	A	-3.1039
7	D	A	-3.3730
8	L	A	0.0000
9	E	A	-2.1236
10	V	A	0.0791
11	V	A	1.5327
12	A	A	0.8878
13	A	A	0.2920
14	T	A	-0.3423
15	P	A	-1.1223
16	T	A	-0.9944
17	S	A	-0.5321
18	L	A	0.0000
19	L	A	0.7307
20	I	A	0.0000
21	S	A	-1.1578
22	W	A	0.0000
23	D	A	-3.2132
24	A	A	-1.5949
25	P	A	0.0000
26	A	A	0.3193
27	V	A	0.5874
28	T	A	-0.4002
29	V	A	-1.1586
30	D	A	-2.4268
31	F	A	-1.4002
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.8003
37	G	A	-0.8650
38	E	A	-1.9502
39	T	A	-1.4634
40	G	A	-0.7267
41	G	A	-0.0568
42	W	A	1.7429
43	W	A	1.9881
44	Y	A	2.0523
45	A	A	0.7682
46	A	A	-0.0688
47	Q	A	-1.3886
48	E	A	-1.9800
49	F	A	-0.5611
50	T	A	-0.1531
51	V	A	0.0000
52	P	A	-1.1551
53	G	A	-1.3981
54	S	A	-1.4162
55	K	A	-2.2593
56	S	A	-1.4535
57	T	A	-0.7882
58	A	A	0.0000
59	T	A	0.2335
60	I	A	0.0000
61	S	A	-0.6574
62	G	A	-1.0271
63	L	A	0.0000
64	K	A	-2.5559
65	P	A	-1.7939
66	G	A	-1.6866
67	V	A	-2.0103
68	D	A	-3.2636
69	Y	A	0.0000
70	T	A	-1.3480
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	-0.0954
75	A	A	0.0000
76	Y	A	0.0000
77	P	A	-1.7155
78	D	A	-2.6593
79	H	A	-2.2679
80	H	A	-1.7265
81	Y	A	-0.4195
82	Q	A	-1.4639
83	G	A	-1.3047
84	R	A	-1.3299
85	S	A	-0.8947
86	P	A	-0.5885
87	I	A	-0.4475
88	S	A	-0.7301
89	I	A	-0.7656
90	N	A	-2.0459
91	Y	A	-1.8755
92	R	A	-3.0413
93	T	A	-1.8842