Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDYYVITYGETGYYAYFQEFEVPGSKSTATISGLKPGVDYTITVYAAGYGYYYGNPISINYRT
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -3.6222
• Maximal score value: 2.1719
• Average score: -0.452
• Total score value: -41.1334

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	1.7292
2	S	A	0.2388
3	D	A	-0.2379
4	V	A	-0.5858
5	P	A	0.0000
6	R	A	-3.5996
7	D	A	-3.6222
8	L	A	0.0000
9	E	A	-2.1465
10	V	A	0.1461
11	V	A	1.5653
12	A	A	0.9197
13	A	A	0.3400
14	T	A	-0.3315
15	P	A	-1.1054
16	T	A	-0.9929
17	S	A	-0.5204
18	L	A	0.0000
19	L	A	0.7920
20	I	A	0.0000
21	S	A	-1.1901
22	W	A	0.0000
23	D	A	-3.3979
24	A	A	-1.7542
25	P	A	-0.4878
26	A	A	0.4281
27	V	A	0.5177
28	T	A	-0.0952
29	V	A	-0.4691
30	D	A	-1.4808
31	Y	A	-1.1239
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2820
37	G	A	0.0000
38	E	A	-0.3547
39	T	A	-0.1834
40	G	A	0.4296
41	Y	A	1.8937
42	Y	A	2.1719
43	A	A	1.5977
44	Y	A	1.6875
45	F	A	0.6636
46	Q	A	-1.0345
47	E	A	-2.0907
48	F	A	-1.3439
49	E	A	-1.8566
50	V	A	0.0000
51	P	A	-1.5297
52	G	A	-1.5703
53	S	A	-1.3893
54	K	A	-2.2119
55	S	A	-1.4100
56	T	A	-0.7535
57	A	A	0.0000
58	T	A	0.2536
59	I	A	0.0000
60	S	A	-0.6530
61	G	A	-1.0265
62	L	A	0.0000
63	K	A	-2.3610
64	P	A	-1.6676
65	G	A	-1.4614
66	V	A	-1.4181
67	D	A	-1.9008
68	Y	A	0.0000
69	T	A	-0.5274
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.0909
74	A	A	0.0000
75	A	A	0.0000
76	G	A	0.0000
77	Y	A	1.2924
78	G	A	0.7108
79	Y	A	1.5820
80	Y	A	1.4612
81	Y	A	0.5554
82	G	A	-0.6382
83	N	A	-1.2596
84	P	A	-0.6575
85	I	A	-0.6415
86	S	A	-0.8342
87	I	A	-0.7042
88	N	A	-1.6960
89	Y	A	-1.4466
90	R	A	-2.5195
91	T	A	-1.6358