Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.1026
• Maximal score value: 1.1863
• Average score: -0.698
• Total score value: -62.8241

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	1.0727
2	L	A	0.4782
3	P	A	-0.1384
4	A	A	-0.4946
5	P	A	0.0000
6	K	A	-1.8735
7	N	A	-1.3481
8	L	A	0.0070
9	V	A	0.9558
10	V	A	0.0726
11	S	A	-0.5780
12	R	A	-2.0012
13	V	A	-1.0675
14	T	A	-1.8251
15	E	A	-3.1009
16	D	A	-2.8221
17	S	A	-2.0933
18	A	A	0.0000
19	R	A	-1.1258
20	L	A	0.0000
21	S	A	-0.3510
22	W	A	0.0000
23	T	A	-1.3302
24	A	A	-1.4281
25	P	A	-1.3904
26	D	A	-2.2811
27	A	A	-1.4119
28	A	A	-1.1432
29	F	A	0.0000
30	D	A	-2.4010
31	S	A	0.0000
32	F	A	0.0000
33	A	A	-0.3412
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.4445
37	W	A	-0.2659
38	E	A	-0.9745
39	P	A	-0.7470
40	G	A	0.1051
41	I	A	1.0924
42	G	A	-0.1403
43	G	A	-0.4845
44	E	A	-1.3326
45	A	A	-0.1821
46	I	A	0.9401
47	W	A	1.1589
48	L	A	0.2855
49	R	A	-1.4010
50	V	A	0.0000
51	P	A	-1.5393
52	G	A	0.0000
53	S	A	-1.6530
54	E	A	-1.6359
55	R	A	-1.2118
56	S	A	-0.6387
57	Y	A	-0.8654
58	D	A	-1.5177
59	L	A	0.0000
60	T	A	-1.3320
61	G	A	-1.5225
62	L	A	0.0000
63	K	A	-3.1026
64	P	A	-2.6073
65	G	A	-1.9611
66	T	A	-2.0973
67	E	A	-2.3588
68	Y	A	0.0000
69	K	A	-1.0013
70	V	A	0.0000
71	W	A	1.0709
72	I	A	0.0000
73	H	A	-0.0923
74	G	A	0.0000
75	V	A	-1.1670
76	K	A	-1.6302
77	G	A	-1.3730
78	G	A	-1.1115
79	A	A	-0.6000
80	S	A	-0.3176
81	S	A	0.0000
82	P	A	0.2551
83	P	A	0.2850
84	L	A	0.5596
85	I	A	1.1863
86	A	A	0.1408
87	R	A	-1.6881
88	F	A	0.0000
89	T	A	-1.8075
90	T	A	-2.0282