Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPSGPLDYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYSLSPPSKPISINYRT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.7455
• Maximal score value: 1.5233
• Average score: -0.7741
• Total score value: -69.6666

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	1.1888
2	S	A	-0.6076
3	D	A	-1.9426
4	V	A	-1.7373
5	P	A	0.0000
6	R	A	-3.7455
7	D	A	-3.5987
8	L	A	0.0000
9	E	A	-2.2007
10	V	A	0.0752
11	V	A	1.5233
12	A	A	0.8795
13	A	A	0.2874
14	T	A	-0.5439
15	P	A	-1.1489
16	T	A	-1.0120
17	S	A	-0.5452
18	L	A	0.0000
19	L	A	0.7007
20	I	A	0.0000
21	S	A	-1.2054
22	W	A	0.0000
23	D	A	-3.4510
24	A	A	-2.1136
25	P	A	-1.3238
26	S	A	-0.6429
27	G	A	-0.7022
28	P	A	-0.6736
29	L	A	-0.9006
30	D	A	-1.2645
31	Y	A	-0.6052
32	Y	A	0.0000
33	R	A	-0.4362
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4940
39	T	A	-1.2238
40	G	A	-1.2102
41	G	A	-1.3206
42	N	A	-1.5099
43	S	A	-0.8088
44	P	A	-0.2914
45	V	A	0.4707
46	Q	A	-0.7652
47	E	A	-1.6059
48	F	A	-0.6506
49	T	A	-0.2171
50	V	A	0.0000
51	P	A	-1.0488
52	G	A	-1.2455
53	S	A	-1.3374
54	K	A	-2.0201
55	S	A	-1.4125
56	T	A	-0.7834
57	A	A	0.0000
58	T	A	0.2255
59	I	A	0.0000
60	S	A	-0.6630
61	G	A	-1.0297
62	L	A	0.0000
63	K	A	-2.3653
64	P	A	-1.6643
65	G	A	-1.4502
66	V	A	-1.4306
67	D	A	-2.0735
68	Y	A	0.0000
69	T	A	-0.7933
70	I	A	0.0000
71	T	A	-0.1585
72	V	A	0.0000
73	Y	A	-0.0987
74	A	A	0.0000
75	Y	A	-0.3283
76	S	A	-0.1551
77	L	A	1.0183
78	S	A	0.0827
79	P	A	-0.5032
80	P	A	-0.7056
81	S	A	-1.3863
82	K	A	-1.9179
83	P	A	-1.0637
84	I	A	-0.5860
85	S	A	-0.4690
86	I	A	-0.7076
87	N	A	-1.7244
88	Y	A	-1.4603
89	R	A	-2.5252
90	T	A	-1.5124