Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDHYVITYGETGVGWVPGQTFTVPGSKSTATISGLKPGVDYTITVYAYSEWSYFVINPISINYRT
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -3.5595
• Maximal score value: 2.7543
• Average score: -0.4414
• Total score value: -41.0485

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	1.5439
2	S	A	-0.0728
3	D	A	-0.9028
4	V	A	-1.1877
5	P	A	0.0000
6	R	A	-3.5450
7	D	A	-3.5595
8	L	A	0.0000
9	E	A	-2.2046
10	V	A	0.0535
11	V	A	1.5095
12	A	A	0.8703
13	A	A	0.2919
14	T	A	-0.5327
15	P	A	-1.1195
16	T	A	-0.9934
17	S	A	-0.5427
18	L	A	0.0000
19	L	A	0.6920
20	I	A	0.0000
21	S	A	-1.1962
22	W	A	0.0000
23	D	A	-3.3841
24	A	A	-1.8000
25	P	A	0.0000
26	A	A	-0.0696
27	V	A	0.1615
28	T	A	-0.5035
29	V	A	-1.1097
30	D	A	-2.0523
31	H	A	-1.5961
32	Y	A	0.0000
33	V	A	0.4265
34	I	A	0.0000
35	T	A	0.1757
36	Y	A	-0.0667
37	G	A	0.0000
38	E	A	-0.7052
39	T	A	-0.5624
40	G	A	0.1342
41	V	A	1.4385
42	G	A	0.8287
43	W	A	1.3388
44	V	A	0.9238
45	P	A	-0.0687
46	G	A	-0.4078
47	Q	A	-0.5359
48	T	A	-0.0869
49	F	A	0.3537
50	T	A	0.1821
51	V	A	0.0000
52	P	A	-1.2924
53	G	A	-1.5194
54	S	A	-1.4982
55	K	A	-2.1692
56	S	A	-1.5164
57	T	A	-0.7894
58	A	A	0.0000
59	T	A	0.2765
60	I	A	0.0000
61	S	A	-0.7179
62	G	A	-1.0880
63	L	A	0.0000
64	K	A	-2.3755
65	P	A	-1.6539
66	G	A	-1.4467
67	V	A	-1.4395
68	D	A	-1.9706
69	Y	A	0.0000
70	T	A	-0.6242
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	0.3028
75	A	A	0.0000
76	Y	A	0.3550
77	S	A	0.0000
78	E	A	-1.1846
79	W	A	0.7227
80	S	A	0.0000
81	Y	A	2.3782
82	F	A	2.7543
83	V	A	1.7317
84	I	A	0.0000
85	N	A	-0.8227
86	P	A	-0.5327
87	I	A	-0.5298
88	S	A	-0.4530
89	I	A	-0.7244
90	N	A	-1.7520
91	Y	A	-1.4962
92	R	A	-2.5702
93	T	A	-1.5216