Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSVVTYDRDGYDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAEFTT
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.6212
• Maximal score value: 1.2982
• Average score: -1.0558
• Total score value: -100.2998

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	0.4005
2	P	A	0.1661
3	A	A	0.1154
4	P	A	0.0000
5	K	A	-1.7848
6	N	A	-1.1266
7	L	A	0.0000
8	V	A	0.7930
9	V	A	-0.2465
10	S	A	-0.8390
11	E	A	-1.8931
12	V	A	-1.0732
13	T	A	-1.8182
14	E	A	-2.9030
15	D	A	-2.8872
16	S	A	-2.2422
17	L	A	0.0000
18	R	A	-1.7880
19	L	A	0.0000
20	S	A	-0.4470
21	V	A	0.0000
22	V	A	-0.5277
23	T	A	-1.3550
24	Y	A	-0.7214
25	D	A	-2.7964
26	R	A	-3.4634
27	D	A	-3.6212
28	G	A	-2.3282
29	Y	A	0.0000
30	D	A	-2.4739
31	S	A	-1.7721
32	F	A	0.0000
33	L	A	-0.2100
34	I	A	0.0000
35	Q	A	-0.4420
36	Y	A	-0.5159
37	Q	A	-1.3916
38	E	A	-2.0530
39	S	A	-2.0250
40	E	A	-2.5040
41	K	A	-1.8781
42	V	A	-0.0332
43	G	A	-0.8854
44	E	A	-2.0011
45	A	A	-0.8018
46	I	A	-0.1793
47	N	A	-0.8071
48	L	A	0.1282
49	T	A	-0.0134
50	V	A	-0.4468
51	P	A	-0.9742
52	G	A	0.0000
53	S	A	-2.0840
54	E	A	-2.1746
55	R	A	-1.3084
56	S	A	-1.1160
57	Y	A	0.0000
58	D	A	-2.3049
59	L	A	0.0000
60	T	A	-1.5856
61	G	A	-1.5324
62	L	A	0.0000
63	K	A	-3.0279
64	P	A	-2.5480
65	G	A	-1.8742
66	T	A	-2.2386
67	E	A	-2.7235
68	Y	A	0.0000
69	T	A	-1.4550
70	V	A	0.0000
71	S	A	-0.2526
72	I	A	0.0000
73	Y	A	0.2127
74	G	A	0.0000
75	V	A	0.0000
76	H	A	-1.6406
77	N	A	-2.3198
78	V	A	-0.4480
79	Y	A	-0.2182
80	K	A	-2.2033
81	D	A	-2.5103
82	T	A	-1.7347
83	N	A	-2.4183
84	M	A	-1.0340
85	R	A	-1.3074
86	G	A	0.1322
87	L	A	1.2982
88	P	A	0.6220
89	L	A	0.0757
90	S	A	-0.3111
91	A	A	-0.7851
92	E	A	-2.1555
93	F	A	0.0000
94	T	A	-1.6696
95	T	A	-1.9922