Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSAPLIARFTT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.0863
• Maximal score value: 1.5338
• Average score: -0.7067
• Total score value: -63.6006

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	1.1108
2	L	A	0.5039
3	P	A	-0.1473
4	A	A	-0.4430
5	P	A	0.0000
6	K	A	-2.0733
7	N	A	-1.2468
8	L	A	0.2550
9	V	A	0.9642
10	V	A	0.0347
11	S	A	-0.6099
12	R	A	-2.0032
13	V	A	-1.0208
14	T	A	-1.8021
15	E	A	-3.0728
16	D	A	-2.7856
17	S	A	-2.0873
18	A	A	0.0000
19	R	A	-1.2014
20	L	A	0.0000
21	S	A	-0.3795
22	W	A	0.0000
23	T	A	-1.3167
24	A	A	-1.4422
25	P	A	-1.4110
26	D	A	-2.2804
27	A	A	-1.4413
28	A	A	-1.1874
29	F	A	0.0000
30	D	A	-2.5723
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6279
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.4488
37	W	A	-0.2915
38	E	A	-1.0158
39	P	A	-0.7551
40	G	A	0.0945
41	I	A	1.2338
42	G	A	-0.1519
43	G	A	-0.4793
44	E	A	-1.3442
45	A	A	-0.1986
46	I	A	0.8764
47	W	A	0.9218
48	L	A	0.0432
49	R	A	-1.6084
50	V	A	0.0000
51	P	A	-1.5436
52	G	A	0.0000
53	S	A	-1.6295
54	E	A	-1.7223
55	R	A	-1.1668
56	S	A	-0.6461
57	Y	A	-0.7137
58	D	A	-1.6010
59	L	A	0.0000
60	T	A	-1.3483
61	G	A	-1.5153
62	L	A	0.0000
63	K	A	-3.0863
64	P	A	-2.6648
65	G	A	-1.9630
66	T	A	-2.0811
67	E	A	-2.5978
68	Y	A	0.0000
69	K	A	-0.9424
70	V	A	0.0000
71	W	A	1.0357
72	I	A	0.0000
73	H	A	-0.1713
74	G	A	0.0000
75	V	A	-1.2723
76	K	A	-1.7929
77	G	A	-1.4623
78	G	A	-1.1694
79	A	A	-0.5861
80	S	A	-0.2854
81	S	A	0.0000
82	A	A	0.4278
83	P	A	0.3079
84	L	A	0.8334
85	I	A	1.5338
86	A	A	0.2447
87	R	A	-1.6727
88	F	A	0.0000
89	T	A	-1.8060
90	T	A	-2.0336