Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDAPANSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYEWYGWGWTYSPSSINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.3622
• Maximal score value: 2.0463
• Average score: -0.1811
• Total score value: -17.386

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	G	A	-0.4279
2	S	A	-0.1934
3	S	A	0.4931
4	V	A	1.5411
5	S	A	0.7001
6	S	A	0.8337
7	V	A	0.7541
8	P	A	0.0000
9	T	A	-1.2122
10	K	A	-2.3225
11	L	A	-1.4562
12	E	A	-1.7635
13	V	A	0.1098
14	V	A	1.5453
15	A	A	0.8848
16	A	A	0.2938
17	T	A	-0.1994
18	P	A	-0.8031
19	T	A	-0.5342
20	S	A	-0.3171
21	L	A	0.0000
22	L	A	0.7171
23	I	A	0.0000
24	S	A	-0.5197
25	W	A	0.0000
26	D	A	-1.4609
27	A	A	-0.6130
28	P	A	0.0000
29	A	A	-0.0158
30	N	A	-0.0878
31	S	A	-0.0667
32	V	A	0.3813
33	S	A	0.3611
34	Y	A	0.4695
35	Y	A	0.0000
36	R	A	-0.2887
37	I	A	0.0000
38	T	A	0.0000
39	Y	A	-0.4139
40	G	A	0.0000
41	E	A	-1.3824
42	T	A	-1.2335
43	G	A	-1.2365
44	G	A	-1.3629
45	N	A	-1.5513
46	S	A	-0.9299
47	P	A	-0.4260
48	V	A	0.2662
49	Q	A	-1.1898
50	E	A	-1.7765
51	F	A	-0.6401
52	T	A	-0.1712
53	V	A	0.0713
54	P	A	-0.1978
55	G	A	-0.1325
56	S	A	-0.2827
57	S	A	-0.2641
58	S	A	-0.3726
59	T	A	-0.1056
60	A	A	0.0000
61	T	A	0.2443
62	I	A	0.0000
63	S	A	-0.4747
64	G	A	-0.6857
65	L	A	0.0000
66	S	A	-0.8394
67	P	A	-0.9938
68	G	A	-1.0909
69	V	A	-0.9631
70	D	A	-1.8851
71	Y	A	0.0000
72	T	A	-0.7963
73	I	A	0.0000
74	T	A	-0.2794
75	V	A	0.0000
76	Y	A	0.5232
77	A	A	0.0000
78	Y	A	1.3548
79	E	A	0.0000
80	W	A	2.0463
81	Y	A	1.4896
82	G	A	0.7860
83	W	A	1.4826
84	G	A	1.3131
85	W	A	1.9668
86	T	A	1.7048
87	Y	A	1.8912
88	S	A	0.0000
89	P	A	0.3048
90	S	A	0.0038
91	S	A	-0.5118
92	I	A	-0.6253
93	N	A	-1.7591
94	Y	A	-1.4981
95	R	A	-2.3622
96	T	A	-1.2033