Project name: tested_vpx_zn_0 [mutate: ID18A]

Chain sequence(s)	A: MSDPRERIPPGNSGEETIGEAFEWLNRTVEEINREAVNHLPRELIFQVWQRSWEYWHDEQGMSPSYVKYRYLCLIQKALFMHCKKGCRCLGEGHGAGGWRPGPPPPPPPGLA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	ID18A
Energy difference between WT (input) and mutated protein (by FoldX)	-1.07441 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                                                       (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.9635
• Maximal score value: 1.2051
• Average score: -1.2653
• Total score value: -141.7119

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	0.4914
2	S	A	-0.7837
3	D	A	-2.5921
4	P	A	-2.5471
5	R	A	-3.6008
6	E	A	-3.3991
7	R	A	-2.5774
8	I	A	0.0630
9	P	A	-0.2852
10	P	A	-0.3334
11	G	A	-0.7725
12	N	A	-1.5622
13	S	A	-1.4222
14	G	A	-1.7733
15	E	A	-2.4730
16	E	A	-2.4613
17	T	A	-2.3648
18	D	A	-2.6520	mutated: ID18A
19	G	A	-2.0237
20	E	A	-2.8651
21	A	A	-1.7388
22	F	A	-0.4949
23	E	A	-2.3491
24	W	A	-1.5844
25	L	A	0.0000
26	N	A	-1.9946
27	R	A	-3.0699
28	T	A	-2.2228
29	V	A	0.0000
30	E	A	-3.6870
31	E	A	-3.9635
32	I	A	-2.6233
33	N	A	-2.5490
34	R	A	-3.3554
35	E	A	-2.9922
36	A	A	0.0000
37	V	A	-1.4142
38	N	A	-1.2666
39	H	A	-0.6721
40	L	A	-0.7272
41	P	A	-1.1393
42	R	A	-2.2443
43	E	A	-1.9994
44	L	A	-0.7080
45	I	A	0.0000
46	F	A	-0.0165
47	Q	A	-1.4874
48	V	A	0.0000
49	W	A	-0.7336
50	Q	A	-1.8853
51	R	A	-2.7555
52	S	A	0.0000
53	W	A	-2.2293
54	E	A	-3.3728
55	Y	A	-2.0432
56	W	A	-1.7762
57	H	A	-2.3650
58	D	A	-3.6744
59	E	A	-3.4374
60	Q	A	-2.6589
61	G	A	-2.0218
62	M	A	-0.7060
63	S	A	-0.3147
64	P	A	-0.3006
65	S	A	0.3421
66	Y	A	0.4373
67	V	A	0.0000
68	K	A	0.0868
69	Y	A	0.8434
70	R	A	0.0655
71	Y	A	0.0000
72	L	A	0.0000
73	C	A	-0.1056
74	L	A	0.0155
75	I	A	0.0000
76	Q	A	-1.2368
77	K	A	-1.2880
78	A	A	-0.5023
79	L	A	0.0000
80	F	A	0.0654
81	M	A	-0.4879
82	H	A	-0.9040
83	C	A	-0.7210
84	K	A	-1.8624
85	K	A	-2.4538
86	G	A	-1.8877
87	C	A	-1.1130
88	R	A	-1.4573
89	C	A	-0.1043
90	L	A	0.5898
91	G	A	-0.9661
92	E	A	-2.2071
93	G	A	-1.9085
94	H	A	-2.1188
95	G	A	-1.5956
96	A	A	-0.6788
97	G	A	-1.0895
98	G	A	-0.7602
99	W	A	-0.1633
100	R	A	-1.7455
101	P	A	-1.2016
102	G	A	-1.0620
103	P	A	-1.1628
104	P	A	-1.3692
105	P	A	-1.0004
106	P	A	-1.1564
107	P	A	-0.6015
108	P	A	-0.2021
109	P	A	-0.1576
110	G	A	0.1073
111	L	A	1.2051
112	A	A	0.3101