Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDFYVITYGETGHGWFPGQTFEVPGSKSTATISGLKPGVDYTITVYAFYPRSSRPSPISINYRT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.6249
• Maximal score value: 1.6472
• Average score: -0.7109
• Total score value: -65.4059

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	1.6472
2	S	A	0.2715
3	D	A	-0.2955
4	V	A	-0.5322
5	P	A	0.0000
6	R	A	-3.6249
7	D	A	-3.6086
8	L	A	0.0000
9	E	A	-2.2184
10	V	A	0.0620
11	V	A	1.5248
12	A	A	0.8878
13	A	A	0.3065
14	T	A	-0.3385
15	P	A	-1.1252
16	T	A	-1.0028
17	S	A	-0.5297
18	L	A	0.0000
19	L	A	0.7147
20	I	A	0.0000
21	S	A	-1.2122
22	W	A	0.0000
23	D	A	-3.4124
24	A	A	-1.7619
25	P	A	-0.5624
26	A	A	0.3600
27	V	A	0.5043
28	T	A	-0.1821
29	V	A	-0.6615
30	D	A	-1.6389
31	F	A	-0.9786
32	Y	A	0.0000
33	V	A	-0.0898
34	I	A	0.0000
35	T	A	-0.5233
36	Y	A	0.0000
37	G	A	-0.8297
38	E	A	-1.6815
39	T	A	-1.3180
40	G	A	-1.0901
41	H	A	-1.1113
42	G	A	-0.2272
43	W	A	1.1777
44	F	A	1.0874
45	P	A	0.2241
46	G	A	-0.3671
47	Q	A	-1.1790
48	T	A	-0.8127
49	F	A	-0.6201
50	E	A	-1.4256
51	V	A	0.0000
52	P	A	-1.3590
53	G	A	-1.3381
54	S	A	-1.3430
55	K	A	-2.0335
56	S	A	-1.4208
57	T	A	-0.7880
58	A	A	0.0000
59	T	A	0.2795
60	I	A	0.0000
61	S	A	-0.7763
62	G	A	-1.1509
63	L	A	0.0000
64	K	A	-2.3853
65	P	A	-1.6519
66	G	A	-1.4347
67	V	A	-1.4375
68	D	A	-2.1799
69	Y	A	0.0000
70	T	A	-1.1874
71	I	A	0.0000
72	T	A	-0.0526
73	V	A	0.0000
74	Y	A	0.2237
75	A	A	0.0000
76	F	A	-0.4699
77	Y	A	0.0000
78	P	A	-1.4078
79	R	A	-2.4187
80	S	A	-1.7516
81	S	A	-1.5656
82	R	A	-2.0986
83	P	A	-0.6685
84	S	A	0.0000
85	P	A	-0.1433
86	I	A	-0.2200
87	S	A	-0.3530
88	I	A	-0.7775
89	N	A	-1.7770
90	Y	A	-1.4914
91	R	A	-2.5347
92	T	A	-1.4994