Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWASWLVAFFDSFLIQYQESEKVGEAIVLIVPGSERSYDLTGLKPGTEYTVSIYGVYQRHASAFVSNPLSAIFTT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -2.9039
• Maximal score value: 2.778
• Average score: -0.3397
• Total score value: -31.9326

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	L	A	1.1599
2	P	A	0.1542
3	A	A	-0.4330
4	P	A	0.0000
5	K	A	-1.8458
6	N	A	-1.5529
7	L	A	-0.1789
8	V	A	1.2341
9	V	A	0.7119
10	S	A	-0.5990
11	R	A	-1.8310
12	V	A	-0.9595
13	T	A	-1.7138
14	E	A	-2.7797
15	D	A	-2.5501
16	S	A	-2.0235
17	A	A	0.0000
18	R	A	-1.2694
19	L	A	0.0000
20	S	A	-0.4021
21	W	A	0.0000
22	A	A	-0.3587
23	S	A	0.5835
24	W	A	1.8321
25	L	A	2.7780
26	V	A	2.5023
27	A	A	1.1297
28	F	A	1.1688
29	F	A	0.0000
30	D	A	-2.1740
31	S	A	-0.4624
32	F	A	0.0000
33	L	A	1.6934
34	I	A	0.0000
35	Q	A	1.0207
36	Y	A	0.5242
37	Q	A	-0.5749
38	E	A	0.0000
39	S	A	-1.3455
40	E	A	-2.3982
41	K	A	-1.6671
42	V	A	0.1198
43	G	A	-0.8427
44	E	A	-1.6051
45	A	A	-0.1106
46	I	A	1.1037
47	V	A	2.4555
48	L	A	2.3365
49	I	A	2.5485
50	V	A	0.0000
51	P	A	-0.6494
52	G	A	0.0000
53	S	A	-0.7724
54	E	A	-1.3043
55	R	A	-0.7071
56	S	A	-0.6742
57	Y	A	-0.8291
58	D	A	-1.9270
59	L	A	0.0000
60	T	A	-1.4488
61	G	A	-1.4358
62	L	A	0.0000
63	K	A	-2.9039
64	P	A	-2.5635
65	G	A	-1.8881
66	T	A	-2.2172
67	E	A	-1.9634
68	Y	A	0.0000
69	T	A	0.0653
70	V	A	0.0000
71	S	A	0.2607
72	I	A	0.0000
73	Y	A	0.7785
74	G	A	0.0000
75	V	A	0.6024
76	Y	A	-0.2387
77	Q	A	-2.0294
78	R	A	-2.7034
79	H	A	-2.0877
80	A	A	-1.1327
81	S	A	-0.9666
82	A	A	-0.3060
83	F	A	1.2946
84	V	A	2.0422
85	S	A	0.0000
86	N	A	-0.7231
87	P	A	-0.5285
88	L	A	-0.6680
89	S	A	0.0715
90	A	A	1.1987
91	I	A	1.8190
92	F	A	0.0000
93	T	A	-0.8524
94	T	A	-1.9237