Project name: query_structure

Chain sequence(s)	A: GSVSSVPTKLEVVAATPTSLLISWDAFGHQYEPVYYYRITYGETGGNSPVQEFTVPGYYSTATISGLKPGVDYTITVYAWYVDGSYSSPISINYRT
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.7729
• Maximal score value: 2.0651
• Average score: -0.2551
• Total score value: -24.4902

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	-0.2083
2	S	A	0.3407
3	V	A	1.3051
4	S	A	0.4639
5	S	A	0.4321
6	V	A	0.6777
7	P	A	-0.2092
8	T	A	-0.5011
9	K	A	-1.9875
10	L	A	0.0000
11	E	A	-1.2362
12	V	A	0.4054
13	V	A	1.7085
14	A	A	0.9783
15	A	A	0.3223
16	T	A	-0.3346
17	P	A	-1.0694
18	T	A	-0.9688
19	S	A	-0.5206
20	L	A	0.0000
21	L	A	0.8671
22	I	A	0.0000
23	S	A	-0.3186
24	W	A	0.0000
25	D	A	-1.5649
26	A	A	-0.1769
27	F	A	-0.3003
28	G	A	-0.8989
29	H	A	-1.6516
30	Q	A	-1.5377
31	Y	A	-0.4271
32	E	A	-1.2585
33	P	A	-0.4216
34	V	A	0.0000
35	Y	A	1.8390
36	Y	A	1.7399
37	Y	A	0.0000
38	R	A	-0.3197
39	I	A	0.0000
40	T	A	0.0000
41	Y	A	-0.3159
42	G	A	0.0000
43	E	A	-1.8104
44	T	A	-1.6907
45	G	A	-1.3369
46	G	A	-1.3455
47	N	A	-1.5439
48	S	A	-0.8256
49	P	A	-0.3135
50	V	A	0.4509
51	Q	A	-0.8352
52	E	A	-1.6706
53	F	A	-0.6920
54	T	A	-0.2347
55	V	A	0.8249
56	P	A	1.1129
57	G	A	1.5961
58	Y	A	2.0651
59	Y	A	1.7947
60	S	A	0.6596
61	T	A	0.4900
62	A	A	0.0000
63	T	A	0.2643
64	I	A	0.0000
65	S	A	-0.6585
66	G	A	-1.0290
67	L	A	0.0000
68	K	A	-2.4241
69	P	A	-1.6532
70	G	A	-1.4194
71	V	A	-1.6749
72	D	A	-2.6839
73	Y	A	0.0000
74	T	A	-0.8945
75	I	A	0.0000
76	T	A	-0.3620
77	V	A	0.0000
78	Y	A	0.3595
79	A	A	0.0000
80	W	A	1.0814
81	Y	A	0.9064
82	V	A	1.2019
83	D	A	-0.9826
84	G	A	-0.2245
85	S	A	0.1990
86	Y	A	1.3580
87	S	A	0.8801
88	S	A	0.3136
89	P	A	0.1670
90	I	A	0.0874
91	S	A	-0.4844
92	I	A	-0.5974
93	N	A	-1.8078
94	Y	A	-1.5953
95	R	A	-2.7729
96	T	A	-1.5922