Project name: query_structure

Chain sequence(s)	A: GSVSSVPTKLEVVAATPTSLLISWDAKPMSYEPVYYYRITYGETGGNSPVQEFTVPGYYSTATISGLKPGVDYTITVYADSMSSYYYSPISINYRT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.6091
• Maximal score value: 2.5225
• Average score: -0.1013
• Total score value: -9.728

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	G	A	-0.1459
2	S	A	0.3764
3	V	A	1.4894
4	S	A	0.9692
5	S	A	0.7813
6	V	A	0.5440
7	P	A	0.0000
8	T	A	-1.6663
9	K	A	-2.6091
10	L	A	0.0000
11	E	A	-1.8842
12	V	A	0.0953
13	V	A	1.5360
14	A	A	0.9011
15	A	A	0.3317
16	T	A	-0.3300
17	P	A	-1.1019
18	T	A	-0.9861
19	S	A	-0.5155
20	L	A	0.0000
21	L	A	0.7633
22	I	A	0.0000
23	S	A	-0.6279
24	W	A	0.0000
25	D	A	-2.4903
26	A	A	-0.7989
27	K	A	-0.6090
28	P	A	-0.4057
29	M	A	0.3373
30	S	A	0.0488
31	Y	A	0.5486
32	E	A	-0.0525
33	P	A	0.5345
34	V	A	0.0000
35	Y	A	2.0856
36	Y	A	1.8783
37	Y	A	0.0000
38	R	A	-0.0621
39	I	A	0.0000
40	T	A	0.0000
41	Y	A	-0.1972
42	G	A	0.0000
43	E	A	-1.6285
44	T	A	-1.2868
45	G	A	-1.2597
46	G	A	-1.4528
47	N	A	-1.5802
48	S	A	-0.9100
49	P	A	-0.2954
50	V	A	0.5304
51	Q	A	-0.6634
52	E	A	-1.2420
53	F	A	-0.3396
54	T	A	0.2716
55	V	A	1.0020
56	P	A	1.2656
57	G	A	0.0000
58	Y	A	2.2031
59	Y	A	1.9296
60	S	A	0.4311
61	T	A	0.3574
62	A	A	0.0000
63	T	A	0.2654
64	I	A	0.0000
65	S	A	-0.6565
66	G	A	-1.0255
67	L	A	0.0000
68	K	A	-2.3772
69	P	A	-1.6551
70	G	A	-1.4569
71	V	A	-1.4451
72	D	A	-2.1180
73	Y	A	0.0000
74	T	A	-0.7863
75	I	A	0.0000
76	T	A	0.0000
77	V	A	0.0000
78	Y	A	0.6425
79	A	A	0.0000
80	D	A	0.0000
81	S	A	1.2944
82	M	A	1.3953
83	S	A	0.9344
84	S	A	1.1899
85	Y	A	2.1891
86	Y	A	2.5225
87	Y	A	2.0397
88	S	A	1.2349
89	P	A	0.5317
90	I	A	0.0068
91	S	A	-0.5593
92	I	A	-0.7399
93	N	A	-1.7361
94	Y	A	-1.4643
95	R	A	-2.5279
96	T	A	-1.4971