Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYYQGGWYVSPISINYRT
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.6407
• Maximal score value: 2.0715
• Average score: -0.2631
• Total score value: -24.2029

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	1.6783
2	S	A	0.6035
3	S	A	0.5821
4	V	A	0.1707
5	P	A	0.0000
6	T	A	-1.6033
7	K	A	-2.6407
8	L	A	0.0000
9	E	A	-1.9441
10	V	A	0.0845
11	V	A	1.5146
12	A	A	0.8706
13	A	A	0.2836
14	T	A	-0.3981
15	P	A	-0.8141
16	T	A	-0.5414
17	S	A	-0.3375
18	L	A	0.0000
19	L	A	0.6908
20	I	A	0.0000
21	S	A	-0.7836
22	W	A	0.0000
23	D	A	-2.5671
24	A	A	-1.2021
25	S	A	-0.6131
26	S	A	-0.3264
27	S	A	-0.2017
28	S	A	0.3737
29	V	A	0.7479
30	S	A	0.5407
31	Y	A	0.5317
32	Y	A	0.0000
33	R	A	-0.4781
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.2470
39	T	A	-1.1833
40	G	A	-1.1982
41	G	A	-1.2933
42	N	A	-1.5023
43	S	A	-0.7980
44	P	A	-0.2921
45	V	A	0.4742
46	Q	A	-0.7719
47	E	A	-1.6126
48	F	A	-0.6354
49	T	A	-0.1938
50	V	A	0.0793
51	P	A	-0.1700
52	G	A	0.0211
53	S	A	-0.2882
54	S	A	-0.3731
55	S	A	-0.5984
56	T	A	-0.2629
57	A	A	0.0000
58	T	A	0.2946
59	I	A	0.0000
60	S	A	-0.4834
61	G	A	-0.6902
62	L	A	0.0000
63	S	A	-0.8299
64	P	A	-0.9909
65	G	A	-1.0621
66	V	A	-0.8916
67	D	A	-1.7954
68	Y	A	0.0000
69	T	A	-0.7870
70	I	A	0.0000
71	T	A	-0.2072
72	V	A	0.0000
73	Y	A	0.4081
74	A	A	0.0000
75	Y	A	0.0000
76	Y	A	1.9085
77	Y	A	1.5083
78	Q	A	-0.4696
79	G	A	-0.0902
80	G	A	0.6921
81	W	A	1.8947
82	Y	A	2.0715
83	V	A	0.0000
84	S	A	0.3358
85	P	A	0.2091
86	I	A	0.0723
87	S	A	-0.3657
88	I	A	-0.7063
89	N	A	-1.7097
90	Y	A	-1.4121
91	R	A	-2.3073
92	T	A	-1.1748