Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLAARFTT
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -3.0839
• Maximal score value: 1.2346
• Average score: -0.7683
• Total score value: -69.1463

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	M	A	1.0644
2	L	A	0.4281
3	P	A	-0.2056
4	A	A	-0.4686
5	P	A	0.0000
6	K	A	-2.0091
7	N	A	-1.3352
8	L	A	-0.1927
9	V	A	0.7792
10	V	A	0.0400
11	S	A	-0.6106
12	R	A	-2.0132
13	V	A	-1.0389
14	T	A	-1.8041
15	E	A	-3.0751
16	D	A	-2.8024
17	S	A	-2.1104
18	A	A	0.0000
19	R	A	-1.2038
20	L	A	0.0000
21	S	A	-0.3622
22	W	A	0.0000
23	T	A	-1.2903
24	A	A	-1.4133
25	P	A	-1.4088
26	D	A	-2.2805
27	A	A	-1.4425
28	A	A	-1.1986
29	F	A	0.0000
30	D	A	-2.4798
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.5433
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.3070
37	W	A	-0.2694
38	E	A	-1.0147
39	P	A	-0.7832
40	G	A	0.0909
41	I	A	1.2346
42	G	A	-0.1572
43	G	A	-0.4874
44	E	A	-1.3284
45	A	A	-0.1595
46	I	A	0.9429
47	W	A	1.0741
48	L	A	0.0830
49	R	A	-1.5789
50	V	A	0.0000
51	P	A	-1.5515
52	G	A	0.0000
53	S	A	-1.6368
54	E	A	-1.5777
55	R	A	-1.1981
56	S	A	-0.6670
57	Y	A	-0.7430
58	D	A	-1.6688
59	L	A	0.0000
60	T	A	-1.3685
61	G	A	-1.5192
62	L	A	0.0000
63	K	A	-3.0839
64	P	A	-2.6550
65	G	A	-1.9531
66	T	A	-2.0643
67	E	A	-2.5969
68	Y	A	0.0000
69	K	A	-1.2752
70	V	A	0.0000
71	W	A	0.5405
72	I	A	0.0000
73	H	A	0.0000
74	G	A	0.0000
75	V	A	-1.2655
76	K	A	-1.8057
77	G	A	-1.4610
78	G	A	-1.1652
79	A	A	-0.6245
80	S	A	-0.3129
81	S	A	0.0000
82	P	A	0.0872
83	P	A	-0.1012
84	L	A	-0.0068
85	A	A	-0.1493
86	A	A	-0.5124
87	R	A	-1.9948
88	F	A	0.0000
89	T	A	-1.7884
90	T	A	-2.0038