Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSWADPHGFYDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.0463
• Maximal score value: 1.2502
• Average score: -0.9876
• Total score value: -92.8356

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	0.7477
2	P	A	0.1620
3	A	A	-0.0201
4	P	A	0.0000
5	K	A	-1.8881
6	N	A	-1.4892
7	L	A	-0.1836
8	V	A	0.8428
9	V	A	0.0252
10	S	A	-0.6646
11	E	A	-1.9833
12	V	A	-0.9327
13	T	A	-1.7720
14	E	A	-3.0463
15	D	A	-2.8679
16	S	A	-2.1541
17	L	A	0.0000
18	R	A	-1.4876
19	L	A	0.0000
20	S	A	-0.5435
21	W	A	0.0000
22	A	A	-1.3057
23	D	A	0.0000
24	P	A	-1.0717
25	H	A	-0.9343
26	G	A	-0.7504
27	F	A	0.1212
28	Y	A	0.0000
29	D	A	-2.1896
30	S	A	-1.5916
31	F	A	0.0000
32	L	A	-0.3147
33	I	A	0.0000
34	Q	A	-0.5001
35	Y	A	-0.6184
36	Q	A	-1.5050
37	E	A	-2.1862
38	S	A	-2.1070
39	E	A	-2.5822
40	K	A	-1.9701
41	V	A	-0.0325
42	G	A	-0.9491
43	E	A	-2.0927
44	A	A	-0.9548
45	I	A	-0.4088
46	N	A	-0.9825
47	L	A	-0.0966
48	T	A	-0.1939
49	V	A	0.0000
50	P	A	-1.1621
51	G	A	-1.3274
52	S	A	-1.3812
53	E	A	-1.6569
54	R	A	-1.1629
55	S	A	-0.8570
56	Y	A	-0.9123
57	D	A	-1.7825
58	L	A	0.0000
59	T	A	-1.4507
60	G	A	-1.5360
61	L	A	0.0000
62	K	A	-3.0188
63	P	A	-2.5526
64	G	A	-1.8596
65	T	A	-2.2321
66	E	A	-2.7107
67	Y	A	0.0000
68	T	A	-1.4590
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.0000
73	G	A	0.0000
74	V	A	-1.0773
75	H	A	-1.3342
76	N	A	-2.3456
77	V	A	-1.1472
78	Y	A	-0.4126
79	K	A	-2.2807
80	D	A	-2.6644
81	T	A	-1.8829
82	N	A	-2.4909
83	M	A	-1.3546
84	R	A	-1.4659
85	G	A	0.0000
86	L	A	1.2502
87	P	A	0.3883
88	L	A	0.0551
89	S	A	-0.2415
90	A	A	-0.5744
91	E	A	-2.1500
92	F	A	0.0000
93	T	A	-1.6368
94	T	A	-1.9364