Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNISYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.0905
• Maximal score value: 1.5067
• Average score: -0.6885
• Total score value: -61.9694

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	1.0695
2	L	A	0.4283
3	P	A	-0.1468
4	A	A	-0.5093
5	P	A	0.0000
6	K	A	-1.8415
7	N	A	-1.3106
8	L	A	0.0653
9	V	A	0.9594
10	V	A	0.0500
11	S	A	-0.5963
12	R	A	-2.0063
13	V	A	-1.0553
14	T	A	-1.8128
15	E	A	-3.0905
16	D	A	-2.8172
17	S	A	-2.1116
18	A	A	0.0000
19	R	A	-1.1734
20	L	A	0.0000
21	S	A	-0.3575
22	W	A	0.0000
23	T	A	-1.3181
24	A	A	-1.4121
25	P	A	-1.3900
26	D	A	-2.2780
27	A	A	-1.4428
28	A	A	-1.1963
29	F	A	0.0000
30	D	A	-2.5071
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.6669
34	I	A	0.0000
35	S	A	0.0000
36	Y	A	0.3793
37	W	A	-0.3182
38	E	A	-0.8714
39	P	A	-0.6460
40	G	A	0.1683
41	I	A	1.1221
42	G	A	-0.2035
43	G	A	-0.5877
44	E	A	-1.3849
45	A	A	-0.2550
46	I	A	0.9252
47	W	A	1.0707
48	L	A	0.0822
49	R	A	-1.6051
50	V	A	0.0000
51	P	A	-1.5619
52	G	A	0.0000
53	S	A	-1.6350
54	E	A	-1.5630
55	R	A	-1.1623
56	S	A	-0.6215
57	Y	A	-0.6760
58	D	A	-1.6097
59	L	A	0.0000
60	T	A	-1.3527
61	G	A	-1.5233
62	L	A	0.0000
63	K	A	-2.9946
64	P	A	-2.4882
65	G	A	-1.7680
66	T	A	-1.6876
67	E	A	-1.6166
68	Y	A	0.0000
69	K	A	-0.8586
70	V	A	0.0000
71	W	A	0.9445
72	I	A	0.0000
73	H	A	-0.3232
74	G	A	0.0000
75	V	A	-1.3588
76	K	A	-1.8456
77	G	A	-1.4710
78	G	A	-1.1828
79	A	A	-0.6720
80	S	A	-0.5933
81	S	A	0.0000
82	P	A	0.2618
83	P	A	0.2816
84	L	A	0.7032
85	I	A	1.5067
86	A	A	0.2846
87	R	A	-1.4977
88	F	A	0.0000
89	T	A	-1.4594
90	T	A	-1.8371