Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDATGYYVRYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAQSGPYYWYWGDSPISINYRT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.1997
• Maximal score value: 2.5808
• Average score: -0.3842
• Total score value: -36.1157

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	1.7235
2	S	A	0.6241
3	D	A	0.1967
4	V	A	-0.6663
5	P	A	0.0000
6	R	A	-2.7991
7	D	A	-3.1997
8	L	A	0.0000
9	E	A	-2.0809
10	V	A	0.0687
11	V	A	1.5150
12	A	A	0.8759
13	A	A	0.2852
14	T	A	-0.5347
15	P	A	-1.1286
16	T	A	-0.9998
17	S	A	-0.5433
18	L	A	0.0000
19	L	A	0.6960
20	I	A	0.0000
21	S	A	-0.8907
22	W	A	0.0000
23	D	A	-2.8346
24	A	A	-1.0375
25	T	A	-0.3457
26	G	A	0.4857
27	Y	A	1.7151
28	Y	A	1.4804
29	V	A	0.0364
30	R	A	-1.4071
31	Y	A	-0.6799
32	Y	A	0.0000
33	R	A	-1.0653
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2300
37	G	A	0.0000
38	E	A	-1.4569
39	T	A	-1.2075
40	G	A	-1.2101
41	G	A	-1.3307
42	N	A	-1.5051
43	S	A	-0.7758
44	P	A	-0.2703
45	V	A	0.5057
46	Q	A	-0.7421
47	E	A	-1.6054
48	F	A	-0.6850
49	T	A	-0.3716
50	V	A	0.0000
51	P	A	-0.7484
52	G	A	-0.5575
53	S	A	-0.3251
54	S	A	-0.5902
55	S	A	-0.6984
56	T	A	-0.2571
57	A	A	0.0000
58	T	A	0.2784
59	I	A	0.0000
60	S	A	-0.6639
61	G	A	-1.0321
62	L	A	0.0000
63	K	A	-2.3537
64	P	A	-1.6503
65	G	A	-1.4259
66	V	A	-1.3980
67	D	A	-2.0226
68	Y	A	0.0000
69	T	A	-0.7558
70	I	A	0.0000
71	T	A	-0.2405
72	V	A	0.0000
73	Y	A	-0.5306
74	A	A	0.0000
75	Q	A	-0.8888
76	S	A	0.3493
77	G	A	0.2583
78	P	A	0.5546
79	Y	A	2.0806
80	Y	A	2.4596
81	W	A	2.5808
82	Y	A	2.5503
83	W	A	1.5886
84	G	A	0.0050
85	D	A	-1.2129
86	S	A	-0.6924
87	P	A	-0.7404
88	I	A	-0.3838
89	S	A	-0.3897
90	I	A	-0.7287
91	N	A	-1.7040
92	Y	A	-1.4365
93	R	A	-2.5007
94	T	A	-1.4979