Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPSSRYEHYQFVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTWTGDVPWYWLVNPISINYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.2394
• Maximal score value: 2.9795
• Average score: -0.4046
• Total score value: -41.2659

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	1.3776
2	S	A	0.0248
3	D	A	-0.4755
4	V	A	-0.4145
5	P	A	0.0000
6	R	A	-2.8775
7	D	A	-3.2394
8	L	A	0.0000
9	E	A	-2.0913
10	V	A	0.0678
11	V	A	1.5268
12	A	A	0.8944
13	A	A	0.3029
14	T	A	-0.3372
15	P	A	-1.1163
16	T	A	-0.9908
17	S	A	-0.5244
18	L	A	0.0000
19	L	A	0.7434
20	I	A	0.0000
21	S	A	-1.1232
22	W	A	0.0000
23	D	A	-3.1428
24	A	A	-1.5284
25	P	A	0.0000
26	S	A	-0.8594
27	S	A	-0.5496
28	R	A	-1.7632
29	Y	A	-0.4006
30	E	A	-1.9455
31	H	A	-0.9714
32	Y	A	0.8738
33	Q	A	0.6850
34	F	A	1.6757
35	V	A	0.4059
36	R	A	-0.9225
37	Y	A	-0.3959
38	Y	A	0.0000
39	R	A	-0.6884
40	I	A	0.0000
41	T	A	-0.5372
42	Y	A	-0.2950
43	G	A	0.0000
44	E	A	-1.5727
45	T	A	-1.2506
46	G	A	-1.2452
47	G	A	-1.3828
48	N	A	-1.5641
49	S	A	-0.8753
50	P	A	-0.3251
51	V	A	0.4462
52	Q	A	-0.8250
53	E	A	-1.6324
54	F	A	-0.6546
55	T	A	-0.2644
56	V	A	0.0000
57	P	A	-1.0291
58	G	A	-0.8508
59	S	A	-1.0667
60	K	A	-2.1117
61	S	A	-1.3868
62	T	A	-0.7701
63	A	A	0.0000
64	T	A	0.2358
65	I	A	0.0000
66	S	A	-0.6545
67	G	A	-1.0278
68	L	A	0.0000
69	K	A	-2.3724
70	P	A	-1.6597
71	G	A	-1.4409
72	V	A	-1.4430
73	D	A	-2.0711
74	Y	A	0.0000
75	T	A	-0.7703
76	I	A	0.0000
77	T	A	-0.2315
78	V	A	0.0000
79	Y	A	0.3551
80	A	A	0.0000
81	V	A	0.8932
82	T	A	0.0000
83	W	A	1.5212
84	T	A	1.0121
85	G	A	-0.1689
86	D	A	-1.1493
87	V	A	0.6137
88	P	A	0.8097
89	W	A	2.2740
90	Y	A	2.9795
91	W	A	2.9090
92	L	A	2.1146
93	V	A	1.2998
94	N	A	0.3115
95	P	A	-0.0490
96	I	A	-0.1337
97	S	A	-0.5621
98	I	A	-0.7288
99	N	A	-1.7162
100	Y	A	-1.4452
101	R	A	-2.5043
102	T	A	-1.4933