Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVYYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAMYYYQEEYMYSSPISINYRT
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -2.761
• Maximal score value: 2.2208
• Average score: -0.2971
• Total score value: -27.9294

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	1.8067
2	S	A	0.8264
3	S	A	1.0422
4	V	A	0.7691
5	P	A	0.0000
6	T	A	-1.2771
7	K	A	-2.3542
8	L	A	0.0000
9	E	A	-1.7681
10	V	A	0.1437
11	V	A	1.5433
12	A	A	0.9010
13	A	A	0.3282
14	T	A	-0.3297
15	P	A	-1.0374
16	T	A	-0.9535
17	S	A	-0.5225
18	L	A	0.0000
19	L	A	0.7706
20	I	A	0.0000
21	S	A	-0.7660
22	W	A	0.0000
23	D	A	-1.6808
24	A	A	-0.7641
25	P	A	0.3015
26	A	A	0.6108
27	V	A	1.2418
28	T	A	0.8732
29	V	A	1.2270
30	V	A	1.6132
31	Y	A	0.6225
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2693
37	G	A	0.0000
38	E	A	-1.8423
39	T	A	-1.5390
40	G	A	-1.3693
41	G	A	-1.5452
42	N	A	-1.5674
43	S	A	-0.9056
44	P	A	-0.3475
45	V	A	0.4166
46	Q	A	-0.8459
47	E	A	-1.5148
48	F	A	-0.4923
49	T	A	-0.0816
50	V	A	0.0000
51	P	A	-0.4572
52	G	A	-0.2382
53	S	A	-0.9105
54	K	A	-1.9457
55	S	A	-1.1781
56	T	A	-0.6469
57	A	A	0.0000
58	T	A	0.2471
59	I	A	0.0000
60	S	A	-0.6564
61	G	A	-1.0260
62	L	A	0.0000
63	K	A	-2.3888
64	P	A	-1.5907
65	G	A	-1.2994
66	V	A	-1.6144
67	D	A	-2.7610
68	Y	A	0.0000
69	T	A	-0.9191
70	I	A	0.0000
71	T	A	-0.0633
72	V	A	0.0000
73	Y	A	0.7350
74	A	A	0.0000
75	M	A	1.9817
76	Y	A	2.1552
77	Y	A	1.6296
78	Y	A	0.6920
79	Q	A	-1.5837
80	E	A	-2.3724
81	E	A	-1.6881
82	Y	A	1.1086
83	M	A	1.6323
84	Y	A	2.2208
85	S	A	0.0000
86	S	A	0.2709
87	P	A	0.1625
88	I	A	0.0963
89	S	A	-0.4829
90	I	A	-0.5804
91	N	A	-1.8226
92	Y	A	-1.6066
93	R	A	-2.7445
94	T	A	-1.5487