Project name: query_structure

Chain sequence(s)	A: LPAPKNLWSRVTEDSARLSWTAPDAAFDSFWIRYFEFTTAGEAIVLTVPGSERSYDLTGLKPGTEYWNIMGVKGGSISPPLSAIFTT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.8595
• Maximal score value: 2.3296
• Average score: -0.4827
• Total score value: -41.9927

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	1.0280
2	P	A	0.1413
3	A	A	-0.1646
4	P	A	0.0000
5	K	A	-1.7355
6	N	A	-1.4474
7	L	A	-0.3241
8	W	A	0.1376
9	S	A	-0.5485
10	R	A	-1.9233
11	V	A	-1.3532
12	T	A	-1.6920
13	E	A	-2.8065
14	D	A	-2.8595
15	S	A	-2.2872
16	A	A	0.0000
17	R	A	-1.9879
18	L	A	0.0000
19	S	A	-0.8993
20	W	A	0.0000
21	T	A	-1.2227
22	A	A	-1.3273
23	P	A	-1.3096
24	D	A	-2.2747
25	A	A	-1.4382
26	A	A	-1.0640
27	F	A	0.0000
28	D	A	-2.6105
29	S	A	-1.1591
30	F	A	0.0000
31	W	A	0.6956
32	I	A	0.0000
33	R	A	0.0405
34	Y	A	0.0000
35	F	A	0.7445
36	E	A	0.3102
37	F	A	1.3922
38	T	A	0.2469
39	T	A	-0.1579
40	A	A	-0.2443
41	G	A	-0.7662
42	E	A	-1.5015
43	A	A	-0.1810
44	I	A	0.4953
45	V	A	1.1983
46	L	A	0.9164
47	T	A	0.3426
48	V	A	0.0000
49	P	A	-1.0990
50	G	A	0.0000
51	S	A	-1.6305
52	E	A	-1.7399
53	R	A	-1.1404
54	S	A	-0.8640
55	Y	A	-1.0164
56	D	A	-2.0627
57	L	A	0.0000
58	T	A	-1.4890
59	G	A	-1.5397
60	L	A	0.0000
61	K	A	-2.2029
62	P	A	-1.7355
63	G	A	-0.6438
64	T	A	0.7482
65	E	A	0.0000
66	Y	A	1.7665
67	W	A	0.0000
68	N	A	0.1980
69	I	A	0.0000
70	M	A	0.0000
71	G	A	0.0000
72	V	A	-0.3124
73	K	A	-1.3338
74	G	A	-1.2912
75	G	A	-0.8764
76	S	A	-0.0839
77	I	A	1.1902
78	S	A	0.0000
79	P	A	0.1316
80	P	A	-0.3348
81	L	A	-0.5391
82	S	A	0.1573
83	A	A	1.3565
84	I	A	2.3296
85	F	A	1.2053
86	T	A	0.0254
87	T	A	-1.5693