Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWAKRPGAFDSFLIQYQESEKVGEATVLTVPGSCRSYDLTGLKPGTEYTVSIYGVDVKYDIDSRPISSNPLSAIFTT
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.051
• Maximal score value: 1.842
• Average score: -0.6845
• Total score value: -65.7117

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	0.7061
2	P	A	-0.4823
3	A	A	-0.8168
4	P	A	0.0000
5	K	A	-2.3878
6	N	A	-1.5832
7	L	A	-0.3719
8	V	A	1.1279
9	V	A	0.6475
10	S	A	-0.6049
11	R	A	-2.0082
12	V	A	-1.0430
13	T	A	-1.7986
14	E	A	-3.0510
15	D	A	-2.7673
16	S	A	-2.0890
17	A	A	0.0000
18	R	A	-1.2087
19	L	A	0.0000
20	S	A	-0.6193
21	W	A	0.0000
22	A	A	-1.7763
23	K	A	-2.2973
24	R	A	-2.4669
25	P	A	-1.4696
26	G	A	-1.5378
27	A	A	-1.2488
28	F	A	0.0000
29	D	A	-1.7407
30	S	A	-0.6252
31	F	A	0.0000
32	L	A	0.8916
33	I	A	0.0000
34	Q	A	0.5870
35	Y	A	0.3522
36	Q	A	-0.7942
37	E	A	-1.7578
38	S	A	-1.3928
39	E	A	-2.4402
40	K	A	-1.7033
41	V	A	0.1287
42	G	A	-0.9863
43	E	A	-1.8891
44	A	A	-0.5356
45	T	A	0.2582
46	V	A	1.6043
47	L	A	1.2415
48	T	A	0.5940
49	V	A	0.0000
50	P	A	-0.8697
51	G	A	0.0000
52	S	A	-1.1152
53	C	A	-1.0435
54	R	A	-1.7762
55	S	A	-1.0097
56	Y	A	-0.8700
57	D	A	-1.6641
58	L	A	0.0000
59	T	A	-1.3640
60	G	A	-1.5040
61	L	A	0.0000
62	K	A	-3.0153
63	P	A	-2.5712
64	G	A	-1.8504
65	T	A	-2.2214
66	E	A	-1.8485
67	Y	A	0.0000
68	T	A	0.1089
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.1831
73	G	A	0.0000
74	V	A	-0.0573
75	D	A	-0.3708
76	V	A	0.4495
77	K	A	-0.5457
78	Y	A	0.1630
79	D	A	-0.3122
80	I	A	0.7378
81	D	A	-1.2986
82	S	A	-0.8729
83	R	A	-1.6053
84	P	A	-0.6812
85	I	A	0.1110
86	S	A	-0.0594
87	S	A	0.0000
88	N	A	-1.0273
89	P	A	-0.7021
90	L	A	-0.5520
91	S	A	0.3705
92	A	A	1.2344
93	I	A	1.8420
94	F	A	0.0000
95	T	A	-0.8059
96	T	A	-1.9431