Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAWSSWYYYISYYRITYGETGGNSPVQEFTVPGSSYTATISGLSPGVDYTITVYAWYYDQYYYLVESSPISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.6239
• Maximal score value: 2.592
• Average score: -0.06
• Total score value: -5.8795

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	1.6978
2	S	A	0.6458
3	S	A	0.3077
4	V	A	-0.0708
5	P	A	0.0000
6	T	A	-1.5287
7	K	A	-2.6239
8	L	A	0.0000
9	E	A	-1.8782
10	V	A	0.0942
11	V	A	1.5267
12	A	A	0.8868
13	A	A	0.2897
14	T	A	-0.1976
15	P	A	-0.8094
16	T	A	-0.5322
17	S	A	-0.3179
18	L	A	0.0000
19	L	A	0.7420
20	I	A	0.0000
21	S	A	-0.4495
22	W	A	0.0000
23	D	A	-2.2069
24	A	A	-0.7321
25	W	A	0.1757
26	S	A	0.5718
27	S	A	1.3674
28	W	A	2.1302
29	Y	A	2.1422
30	Y	A	2.0660
31	Y	A	2.3656
32	I	A	1.2258
33	S	A	0.7443
34	Y	A	0.3653
35	Y	A	0.0000
36	R	A	-0.7718
37	I	A	0.0000
38	T	A	-0.6793
39	Y	A	-0.4353
40	G	A	0.0000
41	E	A	-1.3612
42	T	A	-1.2237
43	G	A	-1.2268
44	G	A	-1.4016
45	N	A	-1.5430
46	S	A	-0.9055
47	P	A	-0.4200
48	V	A	0.2569
49	Q	A	-1.2067
50	E	A	-1.8400
51	F	A	-0.7985
52	T	A	-0.3623
53	V	A	0.0000
54	P	A	-0.1353
55	G	A	0.3027
56	S	A	0.1350
57	S	A	0.1470
58	Y	A	0.5387
59	T	A	0.3022
60	A	A	0.0000
61	T	A	0.2850
62	I	A	0.0000
63	S	A	-0.4749
64	G	A	-0.6881
65	L	A	0.0000
66	S	A	-0.8364
67	P	A	-0.9821
68	G	A	-1.0684
69	V	A	-0.8765
70	D	A	-1.7938
71	Y	A	0.0000
72	T	A	-0.7292
73	I	A	0.0000
74	T	A	-0.1973
75	V	A	0.0000
76	Y	A	-0.1023
77	A	A	0.0000
78	W	A	0.5738
79	Y	A	1.4465
80	Y	A	2.0845
81	D	A	1.2781
82	Q	A	0.4013
83	Y	A	1.7767
84	Y	A	2.5920
85	Y	A	2.4047
86	L	A	1.5666
87	V	A	0.7991
88	E	A	-0.2666
89	S	A	0.0000
90	S	A	-0.2456
91	P	A	-0.2237
92	I	A	-0.0421
93	S	A	-0.5578
94	I	A	-0.6981
95	N	A	-1.7047
96	Y	A	-1.4569
97	R	A	-2.3296
98	T	A	-1.1830