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Simulation report and files

General information

Name: ORF7a in aqueous solution

Included proteins: ORF7a

Uniprot ID: P0DTC7

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

PDB ID: 6W37

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: 21397

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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ORF7a in aqueous solution ( 6W37)

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RMSD
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Protein alpha carbons
Protein CA, CB, C, N, O
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RMSF
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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
ORF7a
AA
Seq. pos.
PDB resID
E
1
1
L
2
2
Y
3
3
H
4
4
Y
5
5
Q
6
6
E
7
7
C
8
8
V
9
9
R
10
10
G
11
11
T
12
12
T
13
13
V
14
14
L
15
15
L
16
16
K
17
17
E
18
18
P
19
19
C
20
20
S
21
21
S
22
22
G
23
23
T
24
24
Y
25
25
E
26
26
G
27
27
N
28
28
S
29
29
P
30
30
F
31
31
H
32
32
P
33
33
L
34
34
A
35
35
D
36
36
N
37
37
K
38
38
F
39
39
A
40
40
L
41
41
T
42
42
C
43
43
F
44
44
S
45
45
T
46
46
Q
47
47
F
48
48
A
49
49
F
50
50
A
51
51
C
52
52
P
53
53
D
54
54
G
55
55
V
56
56
K
57
57
H
58
58
V
59
59
Y
60
60
Q
61
61
L
62
62
R
63
63
A
64
64
R
65
65
S
66
66
Impact score

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