Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIAGVKGGASSPPLIARFTT
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.1061
• Maximal score value: 1.3951
• Average score: -0.7054
• Total score value: -63.4871

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	1.0596
2	L	A	0.4304
3	P	A	-0.1987
4	A	A	-0.4640
5	P	A	0.0000
6	K	A	-2.0297
7	N	A	-1.2312
8	L	A	0.2258
9	V	A	0.9411
10	V	A	0.0166
11	S	A	-0.6242
12	R	A	-2.0197
13	V	A	-1.0472
14	T	A	-1.8069
15	E	A	-3.0812
16	D	A	-2.7926
17	S	A	-2.1139
18	A	A	0.0000
19	R	A	-1.2279
20	L	A	0.0000
21	S	A	-0.3879
22	W	A	0.0000
23	T	A	-1.3025
24	A	A	-1.4147
25	P	A	-1.4142
26	D	A	-2.2734
27	A	A	-1.4312
28	A	A	-1.1870
29	F	A	0.0000
30	D	A	-2.4539
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6810
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.5044
37	W	A	-0.2505
38	E	A	-1.0294
39	P	A	-0.7671
40	G	A	0.0898
41	I	A	1.2352
42	G	A	-0.1473
43	G	A	-0.4693
44	E	A	-1.2888
45	A	A	-0.0940
46	I	A	1.1221
47	W	A	1.1547
48	L	A	0.1847
49	R	A	-1.5999
50	V	A	0.0000
51	P	A	-1.5475
52	G	A	0.0000
53	S	A	-1.6021
54	E	A	-1.4946
55	R	A	-1.1559
56	S	A	-0.6627
57	Y	A	-0.7499
58	D	A	-1.6805
59	L	A	0.0000
60	T	A	-1.3723
61	G	A	-1.5196
62	L	A	0.0000
63	K	A	-3.1061
64	P	A	-2.6803
65	G	A	-1.9817
66	T	A	-2.1238
67	E	A	-2.6797
68	Y	A	0.0000
69	K	A	-0.9922
70	V	A	0.0000
71	W	A	1.0894
72	I	A	0.0000
73	A	A	0.0000
74	G	A	0.0000
75	V	A	-1.3147
76	K	A	-1.7235
77	G	A	-1.4247
78	G	A	-1.1562
79	A	A	-0.6253
80	S	A	-0.3742
81	S	A	0.0000
82	P	A	0.2423
83	P	A	0.2252
84	L	A	0.8282
85	I	A	1.3951
86	A	A	0.1750
87	R	A	-1.7262
88	F	A	0.0000
89	T	A	-1.8366
90	T	A	-2.0471