Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYGITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYHSYDDIYYALSPSSINYRT
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.606
• Maximal score value: 2.1789
• Average score: -0.2993
• Total score value: -29.0358

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	-0.4114
2	S	A	-0.1275
3	S	A	0.3263
4	V	A	1.4571
5	S	A	0.5000
6	S	A	0.2241
7	V	A	-0.1143
8	P	A	0.0000
9	T	A	-1.6259
10	K	A	-2.6060
11	L	A	0.0000
12	E	A	-1.5693
13	V	A	0.2876
14	V	A	1.6317
15	A	A	0.9398
16	A	A	0.3006
17	T	A	-0.3843
18	P	A	-0.8106
19	T	A	-0.5251
20	S	A	-0.3152
21	L	A	0.0000
22	L	A	0.7912
23	I	A	0.0000
24	S	A	-0.6534
25	W	A	0.0000
26	D	A	-2.5125
27	A	A	-1.1923
28	S	A	-0.7933
29	S	A	-0.5527
30	S	A	-0.3590
31	S	A	-0.1141
32	V	A	0.2439
33	S	A	0.1859
34	H	A	-0.0828
35	Y	A	0.0000
36	G	A	0.0000
37	I	A	0.0000
38	T	A	-0.4663
39	Y	A	-0.3578
40	G	A	0.0000
41	E	A	-1.2771
42	T	A	-1.1768
43	G	A	-1.2054
44	G	A	-1.3071
45	N	A	-1.5177
46	S	A	-0.8449
47	P	A	-0.3562
48	V	A	0.3646
49	Q	A	-0.9917
50	E	A	-1.6201
51	F	A	-0.5538
52	T	A	-0.1460
53	V	A	-0.0100
54	P	A	-0.3641
55	G	A	-0.3828
56	S	A	-0.3983
57	S	A	-0.4666
58	S	A	-0.6775
59	T	A	-0.2235
60	A	A	0.0000
61	T	A	0.2545
62	I	A	0.0000
63	S	A	-0.4705
64	G	A	-0.6837
65	L	A	0.0000
66	S	A	-0.8199
67	P	A	-0.9804
68	G	A	-1.0596
69	V	A	-0.8786
70	D	A	-1.7679
71	Y	A	0.0000
72	T	A	-0.7553
73	I	A	0.0000
74	T	A	-0.1780
75	V	A	0.0000
76	Y	A	0.4793
77	A	A	0.0000
78	Y	A	1.2257
79	H	A	0.0000
80	S	A	0.7238
81	Y	A	0.6008
82	D	A	-1.4334
83	D	A	-1.1114
84	I	A	1.5091
85	Y	A	2.1789
86	Y	A	2.1089
87	A	A	1.2494
88	L	A	0.7211
89	S	A	0.0827
90	P	A	0.0156
91	S	A	-0.4096
92	S	A	-0.6178
93	I	A	-0.7208
94	N	A	-1.6477
95	Y	A	-1.3496
96	R	A	-2.2924
97	T	A	-1.1684