Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGGYAGVQEFEVPGSKSTATISGLSPGVDYTITVYAYTQYENIGVGYQSPISINYRT
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.6831
• Maximal score value: 1.8077
• Average score: -0.3996
• Total score value: -37.9627

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	1.8077
2	S	A	0.8443
3	S	A	0.6650
4	V	A	0.3278
5	P	A	0.0000
6	T	A	-1.6219
7	K	A	-2.6371
8	L	A	0.0000
9	E	A	-1.9456
10	V	A	0.0765
11	V	A	1.5192
12	A	A	0.8869
13	A	A	0.2969
14	T	A	-0.3833
15	P	A	-0.8023
16	T	A	-0.5316
17	S	A	-0.3206
18	L	A	0.0000
19	L	A	0.7286
20	I	A	0.0000
21	S	A	-0.9859
22	W	A	0.0000
23	D	A	-2.6831
24	A	A	-1.2128
25	P	A	0.0439
26	A	A	0.4470
27	V	A	0.6632
28	T	A	-0.1114
29	V	A	-0.5020
30	D	A	-1.0776
31	H	A	-1.4647
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	-0.7123
36	Y	A	-0.2825
37	G	A	0.0000
38	E	A	-0.8633
39	T	A	-0.8469
40	G	A	-0.5896
41	G	A	0.0119
42	Y	A	1.1837
43	A	A	0.4930
44	G	A	0.1847
45	V	A	0.7952
46	Q	A	-0.8836
47	E	A	-1.9147
48	F	A	-1.4271
49	E	A	-2.0012
50	V	A	0.0000
51	P	A	-1.4613
52	G	A	-1.3812
53	S	A	-1.2748
54	K	A	-2.0504
55	S	A	-1.4565
56	T	A	-0.7685
57	A	A	0.0000
58	T	A	0.2883
59	I	A	0.0000
60	S	A	-0.4746
61	G	A	-0.6877
62	L	A	0.0000
63	S	A	-0.8463
64	P	A	-0.9892
65	G	A	-1.0756
66	V	A	-0.9060
67	D	A	-1.8894
68	Y	A	0.0000
69	T	A	-0.7430
70	I	A	0.0000
71	T	A	-0.1114
72	V	A	0.0000
73	Y	A	-0.3588
74	A	A	0.0000
75	Y	A	-0.1411
76	T	A	-0.2258
77	Q	A	-0.6985
78	Y	A	0.2348
79	E	A	-1.5741
80	N	A	-0.9135
81	I	A	1.3212
82	G	A	0.7446
83	V	A	1.4337
84	G	A	0.9217
85	Y	A	0.7041
86	Q	A	-0.4888
87	S	A	-0.2280
88	P	A	-0.1479
89	I	A	-0.0230
90	S	A	-0.3537
91	I	A	-0.7161
92	N	A	-1.7525
93	Y	A	-1.4815
94	R	A	-2.3710
95	T	A	-1.1953