Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDHYLITYGETGGNSPVQEFTVPGSKSTATISGLSPGVDYTITVYAGDWAYGWEYYYYNSPISINYRT
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.6986
• Maximal score value: 2.4347
• Average score: -0.2989
• Total score value: -28.6929

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	1.7949
2	S	A	0.6644
3	S	A	0.3148
4	V	A	0.0280
5	P	A	0.0000
6	T	A	-1.6908
7	K	A	-2.6632
8	L	A	0.0000
9	E	A	-1.9323
10	V	A	0.0931
11	V	A	1.5302
12	A	A	0.8907
13	A	A	0.2904
14	T	A	-0.1931
15	P	A	-0.8170
16	T	A	-0.5440
17	S	A	-0.3117
18	L	A	0.0000
19	L	A	0.7413
20	I	A	0.0000
21	S	A	-0.9728
22	W	A	0.0000
23	D	A	-2.6986
24	A	A	-1.2309
25	P	A	-0.0123
26	A	A	0.4219
27	V	A	0.6139
28	T	A	-0.1435
29	V	A	-0.4503
30	D	A	-0.8208
31	H	A	0.0000
32	Y	A	0.0000
33	L	A	0.0000
34	I	A	0.0000
35	T	A	-0.4304
36	Y	A	-0.2831
37	G	A	0.0000
38	E	A	-1.4523
39	T	A	-1.3213
40	G	A	-1.3729
41	G	A	-1.2624
42	N	A	-1.6887
43	S	A	-0.8405
44	P	A	-0.2777
45	V	A	0.4758
46	Q	A	-0.8031
47	E	A	-1.5261
48	F	A	-0.5419
49	T	A	-0.2103
50	V	A	0.0000
51	P	A	-0.9156
52	G	A	-1.1371
53	S	A	-1.1634
54	K	A	-2.0053
55	S	A	-1.4037
56	T	A	-0.7480
57	A	A	0.0000
58	T	A	0.2344
59	I	A	0.0000
60	S	A	-0.4706
61	G	A	-0.6821
62	L	A	0.0000
63	S	A	-0.8509
64	P	A	-1.0262
65	G	A	-1.1426
66	V	A	-1.0399
67	D	A	-1.8187
68	Y	A	-1.0779
69	T	A	-0.7450
70	I	A	0.0000
71	T	A	-0.0893
72	V	A	0.0000
73	Y	A	0.2499
74	A	A	0.0000
75	G	A	0.0000
76	D	A	0.0644
77	W	A	1.6650
78	A	A	1.6311
79	Y	A	1.5986
80	G	A	0.7088
81	W	A	1.0898
82	E	A	-0.3319
83	Y	A	1.9911
84	Y	A	2.4347
85	Y	A	2.1684
86	Y	A	1.1785
87	N	A	-0.1166
88	S	A	-0.1959
89	P	A	-0.0917
90	I	A	-0.0259
91	S	A	-0.5416
92	I	A	-0.7034
93	N	A	-1.7043
94	Y	A	-1.4727
95	R	A	-2.3637
96	T	A	-1.2110