Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDYYVITYGETGYYAYFQEFEVPGSKSTATISGLKPGVDYTITVYAAGYGYAYGSPISINYRT
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -3.411
• Maximal score value: 2.3147
• Average score: -0.4367
• Total score value: -39.7399

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	1.5232
2	S	A	0.0059
3	D	A	-0.7431
4	V	A	-0.6218
5	P	A	0.0000
6	R	A	-3.2817
7	D	A	-3.4110
8	L	A	0.0000
9	E	A	-2.0957
10	V	A	0.1470
11	V	A	1.5786
12	A	A	0.9229
13	A	A	0.3382
14	T	A	-0.3308
15	P	A	-1.1095
16	T	A	-0.9915
17	S	A	-0.5153
18	L	A	0.0000
19	L	A	0.8017
20	I	A	0.0000
21	S	A	-1.1452
22	W	A	0.0000
23	D	A	-3.2388
24	A	A	-1.7555
25	P	A	-0.6743
26	A	A	0.2336
27	V	A	0.3110
28	T	A	-0.1824
29	V	A	-0.7351
30	D	A	-1.3397
31	Y	A	-1.2050
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	-0.8725
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-0.4546
39	T	A	-0.2669
40	G	A	0.4032
41	Y	A	2.0278
42	Y	A	2.3147
43	A	A	1.6896
44	Y	A	1.8324
45	F	A	0.8441
46	Q	A	-1.2281
47	E	A	-2.1353
48	F	A	-1.4510
49	E	A	-1.9135
50	V	A	0.0000
51	P	A	-1.5831
52	G	A	-1.6371
53	S	A	-1.4039
54	K	A	-2.0524
55	S	A	-1.4307
56	T	A	-0.7573
57	A	A	0.0000
58	T	A	0.0791
59	I	A	0.0000
60	S	A	-0.6532
61	G	A	-1.0263
62	L	A	0.0000
63	K	A	-2.3802
64	P	A	-1.6781
65	G	A	-1.4832
66	V	A	-1.4785
67	D	A	-2.1514
68	Y	A	0.0000
69	T	A	-0.5780
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.2055
74	A	A	0.0000
75	A	A	0.0000
76	G	A	0.3258
77	Y	A	1.1440
78	G	A	0.7113
79	Y	A	1.5321
80	A	A	1.2907
81	Y	A	1.3630
82	G	A	0.2516
83	S	A	-0.1727
84	P	A	-0.1589
85	I	A	-0.3418
86	S	A	-0.7238
87	I	A	-0.7477
88	N	A	-1.7567
89	Y	A	-1.4931
90	R	A	-2.5699
91	T	A	-1.6606