Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSVVTWPYADLDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.0361
• Maximal score value: 1.182
• Average score: -0.9731
• Total score value: -92.4469

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	0.2683
2	P	A	0.0358
3	A	A	-0.1221
4	P	A	0.0000
5	K	A	-2.0223
6	N	A	-1.3770
7	L	A	-0.1988
8	V	A	0.7379
9	V	A	-0.2963
10	S	A	-0.8384
11	E	A	-2.0396
12	V	A	-0.9461
13	T	A	-1.7362
14	E	A	-3.0192
15	D	A	-2.6897
16	S	A	-2.1494
17	L	A	0.0000
18	R	A	-1.8194
19	L	A	0.0000
20	S	A	-0.6408
21	V	A	0.0000
22	V	A	0.2122
23	T	A	-0.4972
24	W	A	-0.6187
25	P	A	-0.4095
26	Y	A	-0.0508
27	A	A	-0.7996
28	D	A	-2.1501
29	L	A	-1.8167
30	D	A	-2.4678
31	S	A	-1.7470
32	F	A	0.0000
33	L	A	-0.3005
34	I	A	0.0000
35	Q	A	-0.2795
36	Y	A	-0.3053
37	Q	A	-1.2008
38	E	A	-1.9635
39	S	A	-2.0027
40	E	A	-2.5005
41	K	A	-1.8556
42	V	A	0.0338
43	G	A	-0.7653
44	E	A	-1.7564
45	A	A	-0.4856
46	I	A	0.3962
47	N	A	-0.5530
48	L	A	0.1732
49	T	A	-0.1409
50	V	A	0.0000
51	P	A	-1.2269
52	G	A	-1.7418
53	S	A	-1.6551
54	E	A	-1.8494
55	R	A	-1.9299
56	S	A	-1.4323
57	Y	A	0.0000
58	D	A	-2.3048
59	L	A	0.0000
60	T	A	-1.5227
61	G	A	-1.4898
62	L	A	0.0000
63	K	A	-3.0361
64	P	A	-2.6357
65	G	A	-1.8965
66	T	A	-2.2400
67	E	A	-2.7046
68	Y	A	0.0000
69	T	A	-1.4279
70	V	A	0.0000
71	S	A	0.0000
72	I	A	0.0000
73	Y	A	0.0000
74	G	A	0.0000
75	V	A	-1.2878
76	H	A	-1.5058
77	N	A	-1.8552
78	V	A	0.0134
79	Y	A	0.1097
80	K	A	-2.0195
81	D	A	-2.3981
82	T	A	-1.5225
83	N	A	-2.2228
84	M	A	-1.2691
85	R	A	-1.5462
86	G	A	0.0000
87	L	A	1.1820
88	P	A	0.5230
89	L	A	0.0545
90	S	A	-0.4037
91	A	A	-0.8053
92	E	A	-2.1365
93	F	A	0.0000
94	T	A	-1.6283
95	T	A	-1.9303