Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDAGYYMNYYMVDYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYWYDEYGQYWWSESPSSINYRT
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -2.6076
• Maximal score value: 1.6921
• Average score: -0.301
• Total score value: -31.006

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	-0.4057
2	S	A	-0.0324
3	S	A	0.3344
4	V	A	1.5585
5	S	A	0.5684
6	S	A	0.4508
7	V	A	-0.2631
8	P	A	0.0000
9	T	A	-1.7060
10	K	A	-2.6076
11	L	A	0.0000
12	E	A	-1.6003
13	V	A	0.2745
14	V	A	1.6401
15	A	A	0.9513
16	A	A	0.3287
17	T	A	-0.1892
18	P	A	-0.8121
19	T	A	-0.5401
20	S	A	-0.3022
21	L	A	0.0000
22	L	A	0.8336
23	I	A	0.0000
24	S	A	-0.6761
25	W	A	0.0000
26	D	A	-2.3481
27	A	A	-0.7374
28	G	A	0.1553
29	Y	A	1.6921
30	Y	A	0.0000
31	M	A	1.2252
32	N	A	-0.0900
33	Y	A	1.4816
34	Y	A	1.1965
35	M	A	1.6578
36	V	A	0.0000
37	D	A	0.0607
38	Y	A	0.1200
39	Y	A	0.0000
40	R	A	-0.4175
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4543
44	G	A	0.0000
45	E	A	-1.5832
46	T	A	-1.3901
47	G	A	-1.3831
48	G	A	-1.2749
49	N	A	-1.6745
50	S	A	-0.8738
51	P	A	-0.3469
52	V	A	0.2919
53	Q	A	-1.2157
54	E	A	-1.8401
55	F	A	-0.7025
56	T	A	-0.1833
57	V	A	0.0091
58	P	A	-0.3384
59	G	A	0.0000
60	S	A	-0.2151
61	S	A	-0.4461
62	S	A	-0.6006
63	T	A	-0.2009
64	A	A	0.0000
65	T	A	0.3257
66	I	A	0.0000
67	S	A	-0.4685
68	G	A	-0.6805
69	L	A	0.0000
70	S	A	-0.8701
71	P	A	-1.0243
72	G	A	-1.1597
73	V	A	-1.0829
74	D	A	-1.9284
75	Y	A	0.0000
76	T	A	-0.8271
77	I	A	0.0000
78	T	A	-0.4673
79	V	A	0.0000
80	Y	A	-0.0214
81	A	A	0.0000
82	Y	A	0.9747
83	W	A	0.0000
84	Y	A	0.7528
85	D	A	-0.1700
86	E	A	-1.3552
87	Y	A	0.0601
88	G	A	-0.4291
89	Q	A	-0.4935
90	Y	A	0.6780
91	W	A	1.0507
92	W	A	0.9445
93	S	A	0.0000
94	E	A	-1.5721
95	S	A	-1.0151
96	P	A	-0.5687
97	S	A	-0.7405
98	S	A	-0.7263
99	I	A	-0.7617
100	N	A	-1.7143
101	Y	A	-1.4620
102	R	A	-2.4061
103	T	A	-1.2269