Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGAASPPLIARFTT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.0205
• Maximal score value: 1.2415
• Average score: -0.6991
• Total score value: -62.916

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	1.1128
2	L	A	0.5000
3	P	A	-0.1577
4	A	A	-0.4428
5	P	A	0.0000
6	K	A	-2.0259
7	N	A	-1.1996
8	L	A	0.2175
9	V	A	0.9431
10	V	A	0.0588
11	S	A	-0.5936
12	R	A	-1.9937
13	V	A	-0.9860
14	T	A	-1.7497
15	E	A	-2.9831
16	D	A	-2.6368
17	S	A	-2.0154
18	A	A	0.0000
19	R	A	-1.1711
20	L	A	0.0000
21	S	A	-0.3743
22	W	A	0.0000
23	T	A	-1.2996
24	A	A	-1.4286
25	P	A	-1.4092
26	D	A	-2.2901
27	A	A	-1.4398
28	A	A	-1.1815
29	F	A	0.0000
30	D	A	-2.4574
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.5685
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.4696
37	W	A	-0.2502
38	E	A	-1.0212
39	P	A	-0.7691
40	G	A	0.0870
41	I	A	1.2280
42	G	A	-0.1486
43	G	A	-0.4613
44	E	A	-1.2934
45	A	A	-0.1057
46	I	A	1.0922
47	W	A	1.1536
48	L	A	0.1511
49	R	A	-1.5748
50	V	A	0.0000
51	P	A	-1.5569
52	G	A	0.0000
53	S	A	-1.6613
54	E	A	-1.6055
55	R	A	-1.2156
56	S	A	-0.6800
57	Y	A	-0.7391
58	D	A	-1.6325
59	L	A	0.0000
60	T	A	-1.3973
61	G	A	-1.4609
62	L	A	0.0000
63	K	A	-3.0205
64	P	A	-2.5669
65	G	A	-1.9289
66	T	A	-2.0765
67	E	A	-2.6670
68	Y	A	0.0000
69	K	A	-1.0402
70	V	A	0.0000
71	W	A	0.8788
72	I	A	0.0000
73	H	A	-0.2841
74	G	A	0.0000
75	V	A	-1.1903
76	K	A	-1.6990
77	G	A	-1.4001
78	G	A	-1.1047
79	A	A	-0.5095
80	A	A	-0.1251
81	S	A	0.0000
82	P	A	0.2815
83	P	A	0.2110
84	L	A	0.5254
85	I	A	1.2415
86	A	A	0.0976
87	R	A	-1.7673
88	F	A	0.0000
89	T	A	-1.8243
90	T	A	-1.9833