Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPFQTIQYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTLCARCSKPISINYRT
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.6376
• Maximal score value: 1.8522
• Average score: -0.5962
• Total score value: -54.2566

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	1.8522
2	S	A	0.2026
3	D	A	-0.3743
4	V	A	-0.9352
5	P	A	0.0000
6	R	A	-3.6064
7	D	A	-3.6376
8	L	A	0.0000
9	E	A	-2.2079
10	V	A	0.0698
11	V	A	1.5213
12	A	A	0.8787
13	A	A	0.2850
14	T	A	-0.5488
15	P	A	-1.1549
16	T	A	-1.0174
17	S	A	-0.5511
18	L	A	0.0000
19	L	A	0.7044
20	I	A	0.0000
21	S	A	-1.2041
22	W	A	0.0000
23	D	A	-3.1888
24	A	A	-1.4073
25	P	A	0.0814
26	F	A	1.7850
27	Q	A	0.8141
28	T	A	0.4623
29	I	A	0.0639
30	Q	A	-0.5413
31	Y	A	-0.2689
32	Y	A	0.0000
33	R	A	-0.8404
34	I	A	0.0000
35	T	A	-0.5409
36	Y	A	-0.2379
37	G	A	0.0000
38	E	A	-1.5065
39	T	A	-1.2356
40	G	A	-1.2278
41	G	A	-1.3367
42	N	A	-1.5172
43	S	A	-0.8084
44	P	A	-0.2871
45	V	A	0.4840
46	Q	A	-0.7594
47	E	A	-1.6307
48	F	A	-0.7555
49	T	A	-0.3317
50	V	A	0.0000
51	P	A	-0.9523
52	G	A	-1.0484
53	S	A	-1.2229
54	K	A	-2.0254
55	S	A	-1.4299
56	T	A	-0.7943
57	A	A	0.0000
58	T	A	0.2244
59	I	A	0.0000
60	S	A	-0.6680
61	G	A	-1.0341
62	L	A	0.0000
63	K	A	-2.3693
64	P	A	-1.6604
65	G	A	-1.4345
66	V	A	-1.4229
67	D	A	-2.0934
68	Y	A	0.0000
69	T	A	-0.7822
70	I	A	0.0000
71	T	A	-0.1169
72	V	A	0.0000
73	Y	A	0.1214
74	A	A	0.0000
75	V	A	0.0742
76	T	A	0.5061
77	L	A	1.4545
78	C	A	0.7990
79	A	A	-0.0152
80	R	A	-1.3854
81	C	A	-0.5170
82	S	A	-0.9608
83	K	A	-1.7673
84	P	A	-0.6112
85	I	A	-0.4869
86	S	A	-0.4159
87	I	A	-0.4967
88	N	A	-1.7237
89	Y	A	-1.4816
90	R	A	-2.5450
91	T	A	-1.5195