Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDYYVITYGETGGSWYGWQEFAVPGSKSTATISGLKPGVDYTITVYAYPDHHYQGRSPISINYRT
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.3504
• Maximal score value: 1.6666
• Average score: -0.7421
• Total score value: -69.0124

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	1.6666
2	S	A	0.3608
3	D	A	-0.5150
4	V	A	-0.8329
5	P	A	0.0000
6	R	A	-3.1000
7	D	A	-3.3504
8	L	A	0.0000
9	E	A	-2.1124
10	V	A	0.0968
11	V	A	1.5468
12	A	A	0.9034
13	A	A	0.3202
14	T	A	-0.3381
15	P	A	-1.1165
16	T	A	-0.9976
17	S	A	-0.5282
18	L	A	0.0000
19	L	A	0.7560
20	I	A	0.0000
21	S	A	-1.1260
22	W	A	0.0000
23	D	A	-3.1872
24	A	A	-1.6231
25	P	A	0.0000
26	A	A	0.2553
27	V	A	0.4587
28	T	A	-0.5354
29	V	A	-1.1797
30	D	A	-2.4538
31	Y	A	-1.2277
32	Y	A	0.0000
33	V	A	0.0671
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.6514
39	T	A	-1.1980
40	G	A	-0.8320
41	G	A	-0.5768
42	S	A	0.3548
43	W	A	1.3109
44	Y	A	1.5228
45	G	A	0.2916
46	W	A	-0.2367
47	Q	A	-1.2855
48	E	A	-1.8294
49	F	A	-0.4415
50	A	A	0.0753
51	V	A	0.0000
52	P	A	-1.0193
53	G	A	-1.2898
54	S	A	-1.3419
55	K	A	-2.1242
56	S	A	-1.3687
57	T	A	-0.7445
58	A	A	0.0000
59	T	A	0.2404
60	I	A	0.0000
61	S	A	-0.6604
62	G	A	-1.0297
63	L	A	0.0000
64	K	A	-2.3927
65	P	A	-1.6599
66	G	A	-1.4580
67	V	A	-1.4755
68	D	A	-2.1680
69	Y	A	0.0000
70	T	A	-1.0587
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	-0.0883
75	A	A	0.0000
76	Y	A	0.0000
77	P	A	-1.9722
78	D	A	-2.9903
79	H	A	-2.4297
80	H	A	-1.9038
81	Y	A	-0.7348
82	Q	A	-1.8999
83	G	A	-1.7459
84	R	A	-2.0008
85	S	A	-1.2195
86	P	A	-0.7197
87	I	A	-0.4753
88	S	A	-0.6992
89	I	A	-0.7631
90	N	A	-1.7817
91	Y	A	-1.5283
92	R	A	-2.5710
93	T	A	-1.6498