Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAWSYDEVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVRDEETGEFHWPPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -4.1454
• Maximal score value: 1.5278
• Average score: -1.025
• Total score value: -97.3775

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	1.3237
2	S	A	-0.2810
3	D	A	-1.4962
4	V	A	-1.0117
5	P	A	0.0000
6	R	A	-2.3420
7	D	A	-2.9199
8	L	A	0.0000
9	E	A	-2.0094
10	V	A	0.0789
11	V	A	1.5278
12	A	A	0.8843
13	A	A	0.2937
14	T	A	-0.3433
15	P	A	-1.1204
16	T	A	-0.9948
17	S	A	-0.5376
18	L	A	0.0000
19	L	A	0.7233
20	I	A	0.0000
21	S	A	-0.9793
22	W	A	0.0000
23	D	A	-2.4263
24	A	A	-1.0772
25	W	A	-0.6677
26	S	A	-0.7096
27	Y	A	-1.2040
28	D	A	-2.7568
29	E	A	-3.2839
30	V	A	-2.3932
31	R	A	-3.3124
32	Y	A	-1.7051
33	Y	A	0.0000
34	R	A	-0.7496
35	I	A	0.0000
36	T	A	0.0000
37	Y	A	-0.4564
38	G	A	-0.7705
39	E	A	-1.6524
40	T	A	-1.2925
41	G	A	-1.2495
42	G	A	-1.4272
43	N	A	-1.5682
44	S	A	-0.9400
45	P	A	-0.4607
46	V	A	0.1901
47	Q	A	-1.1696
48	E	A	-1.7722
49	F	A	-0.7197
50	T	A	-0.4870
51	V	A	0.0000
52	P	A	-1.2252
53	G	A	-2.0129
54	S	A	-1.6024
55	K	A	-2.0370
56	S	A	-1.2902
57	T	A	-0.7212
58	A	A	0.0000
59	T	A	0.2853
60	I	A	0.0000
61	S	A	-0.6595
62	G	A	-1.0282
63	L	A	0.0000
64	K	A	-2.3808
65	P	A	-1.6690
66	G	A	-1.4637
67	V	A	-1.4480
68	D	A	-2.1400
69	Y	A	0.0000
70	T	A	-0.8080
71	I	A	0.0000
72	T	A	-0.1309
73	V	A	0.0000
74	Y	A	0.0489
75	A	A	0.0000
76	V	A	0.0000
77	R	A	-3.4942
78	D	A	-4.0176
79	E	A	-4.1454
80	E	A	-3.4922
81	T	A	-2.2256
82	G	A	-2.3280
83	E	A	-3.0090
84	F	A	-1.0201
85	H	A	-0.7728
86	W	A	0.0000
87	P	A	-0.4352
88	P	A	-0.3546
89	I	A	-0.0433
90	S	A	-0.4879
91	I	A	-0.6944
92	N	A	-1.7375
93	Y	A	-1.4927
94	R	A	-2.5545
95	T	A	-1.5242