Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGAGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.0754
• Maximal score value: 1.6503
• Average score: -0.7729
• Total score value: -69.5626

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	1.0683
2	L	A	0.4060
3	P	A	-0.2001
4	A	A	-0.4956
5	P	A	0.0000
6	K	A	-2.0372
7	N	A	-1.1699
8	L	A	0.3102
9	V	A	1.0098
10	V	A	0.0402
11	S	A	-0.6085
12	R	A	-2.0038
13	V	A	-1.0109
14	T	A	-1.7952
15	E	A	-3.0689
16	D	A	-2.7757
17	S	A	-2.0895
18	A	A	0.0000
19	R	A	-1.2094
20	L	A	0.0000
21	S	A	-0.3821
22	W	A	0.0000
23	T	A	-1.2901
24	A	A	-1.4214
25	P	A	-1.4102
26	D	A	-2.2791
27	A	A	-1.4754
28	A	A	-1.2067
29	F	A	0.0000
30	D	A	-2.5064
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6042
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.5101
37	W	A	-0.5320
38	E	A	-1.5884
39	P	A	-1.3272
40	G	A	-1.0145
41	A	A	-0.9420
42	G	A	-1.0956
43	G	A	-1.1529
44	E	A	-1.5553
45	A	A	-0.1080
46	I	A	1.0832
47	W	A	1.1373
48	L	A	0.1409
49	R	A	-1.5808
50	V	A	0.0000
51	P	A	-1.5358
52	G	A	0.0000
53	S	A	-1.6291
54	E	A	-1.5367
55	R	A	-1.1646
56	S	A	-0.6776
57	Y	A	-0.7575
58	D	A	-1.6616
59	L	A	0.0000
60	T	A	-1.4418
61	G	A	-1.5130
62	L	A	0.0000
63	K	A	-3.0754
64	P	A	-2.6537
65	G	A	-1.9460
66	T	A	-2.1022
67	E	A	-2.5571
68	Y	A	0.0000
69	K	A	-0.9729
70	V	A	0.0000
71	W	A	1.0402
72	I	A	0.0000
73	H	A	-0.2182
74	G	A	0.0000
75	V	A	-1.3552
76	K	A	-1.8644
77	G	A	-1.4885
78	G	A	-1.1853
79	A	A	-0.6210
80	S	A	-0.3356
81	S	A	0.0000
82	P	A	0.2489
83	P	A	0.2651
84	L	A	0.8736
85	I	A	1.6503
86	A	A	0.3093
87	R	A	-1.6460
88	F	A	0.0000
89	T	A	-1.7742
90	T	A	-2.0056