Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGPFWHYQTFTVPGSKSTATISGLKPGVDYTITVYTYSSSMHFSSSPISINYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.705
• Maximal score value: 1.8949
• Average score: -0.3212
• Total score value: -29.8757

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	1.6587
2	S	A	0.6063
3	S	A	0.2799
4	V	A	0.0528
5	P	A	0.0000
6	T	A	-1.5708
7	K	A	-2.6149
8	L	A	0.0000
9	E	A	-1.9539
10	V	A	0.0765
11	V	A	1.5132
12	A	A	0.8703
13	A	A	0.2829
14	T	A	-0.5543
15	P	A	-1.1455
16	T	A	-1.0035
17	S	A	-0.5492
18	L	A	0.0000
19	L	A	0.6959
20	I	A	0.0000
21	S	A	-0.9805
22	W	A	0.0000
23	D	A	-2.7050
24	A	A	-1.4060
25	S	A	-0.3653
26	S	A	-0.2766
27	S	A	-0.0922
28	S	A	-0.2832
29	V	A	-0.1483
30	S	A	0.0444
31	Y	A	0.0646
32	Y	A	0.0000
33	R	A	-0.1652
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3251
37	G	A	0.0000
38	E	A	-1.3082
39	T	A	-0.8455
40	G	A	-0.5244
41	G	A	-0.1787
42	P	A	0.7033
43	F	A	1.8949
44	W	A	1.4408
45	H	A	-0.1440
46	Y	A	0.0540
47	Q	A	-0.8252
48	T	A	-0.5526
49	F	A	0.0623
50	T	A	0.0981
51	V	A	0.0000
52	P	A	-0.6518
53	G	A	-0.6150
54	S	A	-1.0543
55	K	A	-2.0151
56	S	A	-1.4062
57	T	A	-0.7862
58	A	A	0.0000
59	T	A	0.2210
60	I	A	0.0000
61	S	A	-0.6666
62	G	A	-1.0303
63	L	A	0.0000
64	K	A	-2.3317
65	P	A	-1.6293
66	G	A	-1.4001
67	V	A	-1.2934
68	D	A	-1.9835
69	Y	A	0.0000
70	T	A	-0.8823
71	I	A	0.0000
72	T	A	-0.1149
73	V	A	0.0000
74	Y	A	0.1052
75	T	A	0.0000
76	Y	A	0.5638
77	S	A	0.4359
78	S	A	0.0735
79	S	A	0.2615
80	M	A	1.1335
81	H	A	0.3478
82	F	A	1.7477
83	S	A	0.7480
84	S	A	0.5046
85	S	A	0.0727
86	P	A	-0.0395
87	I	A	0.0810
88	S	A	-0.3564
89	I	A	-0.7193
90	N	A	-1.7023
91	Y	A	-1.4074
92	R	A	-2.4790
93	T	A	-1.4881