Project name: f33115a709ef717 [mutate: VG56A]

Chain sequence(s)	A: MEELKRRFEERAERQLATYLRRLEVLKEAGASPDAEARFRARAEGLTATLLRLLEVLQRASSPEELLDSLMRRFARGLRRALQELL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VG56A
Energy difference between WT (input) and mutated protein (by FoldX)	0.859446 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:52)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:55)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -4.867
• Maximal score value: 0.548
• Average score: -2.0026
• Total score value: -172.2208

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	M	A	-2.4173
2	E	A	-3.6283
3	E	A	-3.9275
4	L	A	0.0000
5	K	A	-4.0501
6	R	A	-4.8670
7	R	A	-4.6594
8	F	A	0.0000
9	E	A	-4.5669
10	E	A	-4.8149
11	R	A	-4.1687
12	A	A	0.0000
13	E	A	-4.1054
14	R	A	-3.7074
15	Q	A	-2.1821
16	L	A	-2.2046
17	A	A	-1.9800
18	T	A	-1.7678
19	Y	A	0.0000
20	L	A	-2.0799
21	R	A	-2.8122
22	R	A	-2.9321
23	L	A	0.0000
24	E	A	-2.9546
25	V	A	-0.9334
26	L	A	-1.3278
27	K	A	-2.3534
28	E	A	-2.2801
29	A	A	-0.9086
30	G	A	-0.5891
31	A	A	-1.3253
32	S	A	-1.2553
33	P	A	-1.8044
34	D	A	-2.6934
35	A	A	0.0000
36	E	A	-2.9201
37	A	A	-2.3277
38	R	A	-3.3530
39	F	A	0.0000
40	R	A	-2.5284
41	A	A	-2.3123
42	R	A	-2.3147
43	A	A	0.0000
44	E	A	-2.5790
45	G	A	-1.4500
46	L	A	-1.0530
47	T	A	-1.2879
48	A	A	-1.0185
49	T	A	-0.6731
50	L	A	0.0000
51	L	A	-1.3023
52	R	A	-2.1850
53	L	A	-0.9211
54	L	A	0.0000
55	E	A	-2.7868
56	G	A	-1.6945	mutated: VG56A
57	L	A	-0.9660
58	Q	A	-1.8909
59	R	A	-2.1624
60	A	A	-1.0615
61	S	A	-1.3235
62	S	A	-1.6735
63	P	A	-2.4825
64	E	A	-3.4517
65	E	A	-3.3650
66	L	A	0.0000
67	L	A	0.0000
68	D	A	-3.5154
69	S	A	-2.5711
70	L	A	0.0000
71	M	A	-2.6400
72	R	A	-3.4225
73	R	A	-3.1030
74	F	A	0.0000
75	A	A	-2.6459
76	R	A	-3.8886
77	G	A	-2.8646
78	L	A	0.0000
79	R	A	-4.0897
80	R	A	-4.0686
81	A	A	-3.0595
82	L	A	0.0000
83	Q	A	-2.6646
84	E	A	-2.5734
85	L	A	-1.2805
86	L	A	0.5480