Project name: best_og

Chain sequence(s)	A: FGKRPTDLALSVILVFMLPTLLPSGRLKNIANLKNYDGDLKDKVPYKGIVISLVLVPELKPTLNVQLCSTILNVAFPPEVIGPLFFFPLLYM
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.6991
• Maximal score value: 3.9227
• Average score: 0.1044
• Total score value: 9.6056

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	F	A	1.0402
2	G	A	-0.9311
3	K	A	-2.7203
4	R	A	-3.1429
5	P	A	-1.8050
6	T	A	-1.4349
7	D	A	-2.1286
8	L	A	-0.6480
9	A	A	0.0000
10	L	A	1.3402
11	S	A	1.1972
12	V	A	1.7917
13	I	A	2.1926
14	L	A	2.9149
15	V	A	2.7498
16	F	A	3.1052
17	M	A	2.5615
18	L	A	2.6700
19	P	A	1.7521
20	T	A	1.4941
21	L	A	2.5221
22	L	A	1.5674
23	P	A	0.2401
24	S	A	-0.2682
25	G	A	-1.0923
26	R	A	-1.6855
27	L	A	0.0211
28	K	A	-1.8494
29	N	A	-1.2141
30	I	A	0.5237
31	A	A	-0.7262
32	N	A	-1.5310
33	L	A	-0.4179
34	K	A	-1.9933
35	N	A	-2.1999
36	Y	A	-1.1159
37	D	A	-2.7128
38	G	A	-2.9222
39	D	A	-3.3326
40	L	A	-2.3964
41	K	A	-3.6194
42	D	A	-3.6991
43	K	A	-2.3938
44	V	A	0.0000
45	P	A	-0.9816
46	Y	A	-0.2671
47	K	A	-0.8932
48	G	A	0.3237
49	I	A	1.3708
50	V	A	2.7922
51	I	A	2.8879
52	S	A	2.2768
53	L	A	2.8298
54	V	A	3.9227
55	L	A	3.2504
56	V	A	1.3044
57	P	A	-0.1675
58	E	A	-1.8041
59	L	A	-1.0979
60	K	A	-2.2503
61	P	A	-1.5023
62	T	A	-1.0609
63	L	A	0.0000
64	N	A	-1.4646
65	V	A	-0.7497
66	Q	A	-1.3164
67	L	A	-0.7443
68	C	A	0.0282
69	S	A	0.0165
70	T	A	-0.5172
71	I	A	-0.0040
72	L	A	0.0000
73	N	A	-0.5046
74	V	A	0.0106
75	A	A	0.0042
76	F	A	-0.2359
77	P	A	-0.8283
78	P	A	-1.0450
79	E	A	-1.8730
80	V	A	-0.5712
81	I	A	0.1973
82	G	A	-0.1412
83	P	A	0.5386
84	L	A	1.5196
85	F	A	2.9027
86	F	A	3.5044
87	F	A	2.9840
88	P	A	2.4260
89	L	A	3.5416
90	L	A	3.6894
91	Y	A	3.1464
92	M	A	2.4546