Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDHYYITYGETGHYWYYQAFAVPGSKSTATISGLSPGVDYTITVYAPFSVPVMSPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -2.6824
• Maximal score value: 2.9078
• Average score: -0.0034
• Total score value: -0.3026

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	1.8238
2	S	A	0.8294
3	S	A	1.5638
4	V	A	0.6097
5	P	A	0.0000
6	T	A	-1.6449
7	K	A	-2.6586
8	L	A	0.0000
9	E	A	-1.9503
10	V	A	0.0751
11	V	A	1.5242
12	A	A	0.8879
13	A	A	0.3180
14	T	A	-0.3902
15	P	A	-0.8194
16	T	A	-0.5411
17	S	A	-0.3292
18	L	A	0.0000
19	L	A	0.7291
20	I	A	0.0000
21	S	A	-0.9757
22	W	A	0.0000
23	D	A	-2.6824
24	A	A	-1.2067
25	P	A	0.0782
26	A	A	0.5284
27	V	A	0.9553
28	T	A	0.0260
29	V	A	-0.4966
30	D	A	-1.8021
31	H	A	-1.1281
32	Y	A	0.0000
33	Y	A	0.5963
34	I	A	0.0000
35	T	A	0.4527
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-0.3930
39	T	A	-0.6951
40	G	A	-0.3888
41	H	A	0.4633
42	Y	A	2.0665
43	W	A	2.3929
44	Y	A	2.3524
45	Y	A	1.9566
46	Q	A	0.2901
47	A	A	0.4629
48	F	A	0.4986
49	A	A	0.2238
50	V	A	0.0000
51	P	A	-1.2224
52	G	A	-1.4573
53	S	A	-1.4197
54	K	A	-2.1378
55	S	A	-1.3724
56	T	A	-0.7296
57	A	A	0.0000
58	T	A	0.2332
59	I	A	0.0000
60	S	A	-0.4820
61	G	A	-0.6928
62	L	A	0.0000
63	S	A	-0.8181
64	P	A	-0.9794
65	G	A	-1.0478
66	V	A	-0.8100
67	D	A	-1.7303
68	Y	A	0.0000
69	T	A	-0.6687
70	I	A	0.0000
71	T	A	0.1401
72	V	A	0.0000
73	Y	A	0.8016
74	A	A	0.0000
75	P	A	1.2116
76	F	A	2.3574
77	S	A	2.3717
78	V	A	2.8742
79	P	A	1.9481
80	V	A	2.9078
81	M	A	2.4523
82	S	A	1.2815
83	P	A	0.7321
84	I	A	0.2210
85	S	A	-0.5294
86	I	A	-0.7785
87	N	A	-1.7199
88	Y	A	-1.4044
89	R	A	-2.2757
90	T	A	-1.1618