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Simulation report and files

General information

Name: NSP10 in aqueous solution

Included proteins: NSP10

Uniprot ID: P0DTD1

Species: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)

PDB ID: 6ZCT

Submitted by: Institut Hospital del Mar d'Investigacions Mèdiques

Submission date: February 16, 2021

System setup

Ligands: None

Membrane composition: None

Solvent type: TIP3P

Total number of atoms: 23133

Simulation details

Software and version: AceMD 3.2.3

Forcefield and version: CHARMM36 2019

Time step : 4.0 fs

Delta : 0.1 ns

Replicates: 1

Accumulated simulation time: 1.0000 µs

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The interaction network has been generated using Flare Plots, powered by R. Fonseca and A. J. Venkatakrishnan.

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NSP10 in aqueous solution ( 6ZCT)

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RMSD
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Reference: frame from trajectory
Selection:
Protein alpha carbons
Protein CA, CB, C, N, O
Non-hydrogen protein atoms
All protein atoms
RMSF
Trajectory:
Frames:
All
From to
Stride:
Selection:
Protein alpha carbons
Protein CA, CB, C, N, O
Non-hydrogen protein atoms
All protein atoms
Variant impact

Select a variant from the sequence to obtain its impact score as well as mutation effect and time-dependent descriptors:

Display isolate: All isolates
NSP10
AA
Seq. pos.
PDB resID
A(M)
1
8
G
2
9
N
10
10
S
11
11
T
12
12
V
13
13
L
14
14
S
15
15
F
16
16
C
17
17
A
18
18
F
19
19
A
20
20
V
21
21
D
22
22
A
23
23
A
24
24
K
25
25
A
26
26
Y
27
27
K
28
28
D
29
29
Y
30
30
L
31
31
A
32
32
S
33
33
G
34
34
G
35
35
Q
36
36
P
37
37
I
38
38
T
39
39
N
40
40
C
41
41
V
42
42
K
43
43
M
44
44
L
45
45
C
46
46
T
47
47
H
48
48
T
49
49
G
50
50
T
51
51
G
52
52
Q
53
53
A
54
54
I
55
55
T
56
56
V
57
57
T
58
58
P
59
59
E
60
60
A
61
61
N
62
62
M
63
63
D
64
64
Q
65
65
E
66
66
S
67
67
F
68
68
G
69
69
G
70
70
A
71
71
S
72
72
C
73
73
C
74
74
L
75
75
Y
76
76
C
77
77
R
78
78
C
79
79
H
80
80
I
81
81
D
82
82
H
83
83
P
84
84
N
85
85
P
86
86
K
87
87
G
88
88
F
89
89
C
90
90
D
91
91
L
92
92
K
93
93
G
94
94
K
95
95
Y
96
96
V
97
97
Q
98
98
I
99
99
P
100
100
T
101
101
T
102
102
C
103
103
A
104
104
N
105
105
D
106
106
P
107
107
V
108
108
G
109
109
F
110
110
T
111
111
L
112
112
K
113
113
N
114
114
T
115
115
V
116
116
C
117
117
T
118
118
V
119
119
C
120
120
G
121
121
M
122
122
W
123
123
K
124
124
G
125
125
Y
126
126
G
127
127
C
128
128
S
129
129
C
130
130
D
131
131
Impact score

Select a variant from the sequence above to obtain its impact score as well as mutation effect and time-dependent descriptors.