Description Usage Arguments Value Author(s) Examples
Loads DSSP summary output files from a specified file and combines it into a table. This table may be used as input for function dssp()
1 2 | load_dssp( path,
mdEngine = "GROMOS" )
|
path |
Path to the input file. |
mdEngine |
Argument distinguishes between input formats based on the molecular dynamics engine used. Currently available: |
Returns matrix, where the first column is the residue-number and the remaining ones denote secondary structure classes. Residues are given row-wise and values range from 0
to 100
percent.
Christian Margreitter
1 2 3 4 5 6 7 8 9 10 | # GROMOS
load_dssp( system.file( "extdata/dssp_example.txt.gz", package = "MDplot" ) )
# GROMACS
load_dssp( system.file( "extdata/dssp_example_GROMACS.txt.gz",
package = "MDplot" ), mdEngine = "GROMACS" )
# AMBER (same input as for load_dssp_ts())
load_dssp( system.file( "extdata/dssp_ts_example_AMBER.txt.gz",
package = "MDplot" ), mdEngine = "AMBER" )
|
Loading required package: MASS
Loading required package: RColorBrewer
Loading required package: gplots
Attaching package: 'gplots'
The following object is masked from 'package:stats':
lowess
Loading required package: gtools
residue 3-Helix 4-Helix 5-Helix Turn B-Strand B-Bridge Bend
[1,] 1 0.0 0.0 0.0 0.0 0.0 0.0 0.0
[2,] 2 0.0 0.0 0.0 0.0 0.0 0.3 0.0
[3,] 3 0.0 0.0 0.0 0.0 0.0 0.0 1.7
[4,] 4 0.0 0.0 0.0 0.0 0.0 37.1 4.5
[5,] 5 0.0 0.0 0.0 0.0 0.0 0.0 4.3
[6,] 6 0.0 0.0 0.0 0.0 0.0 0.0 0.0
[7,] 7 0.0 0.0 0.0 0.0 97.6 0.0 0.0
[8,] 8 0.0 0.0 0.0 0.0 99.8 0.0 0.0
[9,] 9 0.0 0.0 0.0 0.0 99.9 0.0 0.0
[10,] 10 0.0 0.0 0.0 0.0 92.3 0.0 0.0
[11,] 11 0.0 0.0 0.0 0.0 69.5 0.0 0.0
[12,] 12 0.0 0.0 0.0 0.0 0.0 0.0 0.1
[13,] 13 0.0 0.0 0.0 0.0 0.0 0.0 0.0
[14,] 14 0.0 0.0 0.0 98.8 0.0 0.0 0.0
[15,] 15 2.4 79.6 0.0 2.3 0.0 0.0 15.8
[16,] 16 4.3 79.8 0.0 14.8 0.0 0.0 1.1
[17,] 17 16.1 79.8 0.0 1.0 0.0 0.0 3.1
[18,] 18 15.6 79.8 0.0 0.0 0.0 0.0 4.5
[19,] 19 20.7 43.5 0.0 0.0 0.0 0.0 35.6
[20,] 20 0.0 0.0 0.0 0.5 0.0 0.0 99.1
[21,] 21 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[22,] 22 0.0 0.0 0.0 0.0 87.8 4.1 6.7
[23,] 23 0.0 0.0 0.0 0.0 95.0 0.0 0.0
[24,] 24 0.0 0.0 0.0 0.0 95.4 0.0 0.0
[25,] 25 0.0 0.0 0.0 0.0 99.8 0.0 0.0
[26,] 26 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[27,] 27 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[28,] 28 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[29,] 29 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[30,] 30 0.0 0.0 0.0 0.0 99.3 0.0 0.0
[31,] 31 0.0 0.0 0.0 0.0 0.0 0.0 71.5
[32,] 32 0.0 0.0 0.0 0.0 9.9 48.6 0.0
[33,] 33 0.0 0.0 0.0 0.0 9.9 0.6 84.9
[34,] 34 0.0 0.0 0.0 4.5 0.0 0.0 94.7
[35,] 35 0.0 0.0 0.0 0.0 0.0 0.0 95.9
[36,] 36 0.0 0.0 0.0 0.0 0.0 0.0 0.6
[37,] 37 0.0 0.0 0.0 0.0 0.5 0.0 0.0
[38,] 38 0.0 0.0 0.0 0.0 96.8 3.0 0.0
[39,] 39 0.0 0.0 0.0 0.0 96.9 0.0 0.0
[40,] 40 0.0 0.0 0.0 0.0 85.5 0.0 0.0
[41,] 41 0.0 0.0 0.0 0.0 88.1 0.0 0.0
[42,] 42 0.0 0.0 0.0 0.0 97.2 2.6 0.0
[43,] 43 0.0 0.0 0.0 5.4 51.9 0.1 2.5
[44,] 44 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[45,] 45 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[46,] 46 0.0 0.0 0.0 0.0 35.7 0.9 23.0
[47,] 47 0.0 0.0 0.0 0.0 36.9 6.2 0.0
[48,] 48 0.0 0.0 0.0 0.5 11.6 8.8 0.0
[49,] 49 0.0 0.0 0.0 0.1 0.0 0.0 22.8
[50,] 50 0.0 0.0 0.0 0.0 0.0 0.0 4.9
[51,] 51 0.0 0.0 0.0 0.0 72.6 3.7 0.0
[52,] 52 0.0 0.0 0.0 0.0 87.9 0.3 0.0
[53,] 53 0.0 0.0 0.0 0.0 85.4 5.6 0.0
[54,] 54 0.0 0.0 0.0 0.0 6.1 0.1 0.0
[55,] 55 0.0 0.0 0.0 0.0 0.0 0.0 0.0
[56,] 56 0.0 0.0 0.0 0.0 0.1 0.0 0.4
[57,] 57 0.0 0.0 0.0 0.0 98.1 1.0 0.0
[58,] 58 0.0 0.0 0.0 0.0 98.2 0.8 0.0
[59,] 59 0.0 0.0 0.0 83.4 5.0 0.2 0.0
[60,] 60 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[61,] 61 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[62,] 62 0.0 0.0 0.0 0.0 0.0 0.4 99.4
[63,] 63 0.0 0.0 0.0 0.0 4.8 0.0 14.3
[64,] 64 0.0 0.0 0.0 0.0 99.4 0.3 0.0
[65,] 65 0.0 0.0 0.0 0.0 99.7 0.0 0.0
[66,] 66 0.0 0.0 0.0 0.0 99.8 0.0 0.0
[67,] 67 0.0 0.0 0.0 0.0 99.9 0.0 0.0
[68,] 68 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[69,] 69 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[70,] 70 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[71,] 71 0.0 0.0 0.0 0.0 95.4 0.0 0.0
[72,] 72 0.0 0.0 0.0 0.0 95.0 0.0 0.0
[73,] 73 0.0 0.0 0.0 6.7 87.8 4.1 0.0
[74,] 74 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[75,] 75 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[76,] 76 0.0 0.0 0.0 99.8 0.0 0.0 0.1
[77,] 77 0.1 99.3 0.0 0.3 0.0 0.0 0.3
[78,] 78 0.0 99.7 0.0 0.3 0.0 0.0 0.0
[79,] 79 0.0 99.9 0.0 0.0 0.0 0.0 0.0
[80,] 80 0.0 100.0 0.0 0.0 0.0 0.0 0.0
[81,] 81 0.1 99.9 0.0 0.1 0.0 0.0 0.0
[82,] 82 0.4 99.0 0.0 0.2 0.0 0.0 0.5
[83,] 83 1.7 95.5 0.0 0.0 0.0 0.0 2.8
[84,] 84 3.4 52.1 0.1 0.0 0.0 0.0 44.4
[85,] 85 0.0 0.8 0.5 0.0 0.0 0.0 90.4
[86,] 86 0.0 0.0 0.0 0.0 0.0 0.0 27.3
[87,] 87 0.0 0.0 0.0 0.0 0.1 0.0 0.0
[88,] 88 0.0 0.0 0.0 0.0 25.8 0.0 0.0
[89,] 89 0.0 0.0 0.0 0.0 96.5 3.5 0.0
[90,] 90 0.0 0.0 0.0 0.0 96.0 0.0 0.0
[91,] 91 0.0 0.0 0.0 0.0 96.1 0.0 0.0
[92,] 92 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[93,] 93 0.0 0.0 0.0 0.0 100.0 0.0 0.0
[94,] 94 0.0 0.0 0.0 76.9 0.5 0.0 0.0
[95,] 95 0.0 0.0 0.0 0.2 0.0 0.0 99.8
[96,] 96 0.0 0.0 0.0 0.0 0.0 0.0 100.0
[97,] 97 0.0 0.0 0.0 66.4 0.0 27.0 6.2
[98,] 98 16.6 0.0 0.0 0.9 0.0 0.0 82.5
[99,] 99 16.7 0.0 0.0 0.0 0.0 0.0 83.3
[100,] 100 16.7 0.0 0.0 0.0 0.1 0.0 83.1
[101,] 101 0.0 0.0 0.0 0.0 92.9 1.1 1.9
[102,] 102 0.0 0.0 0.0 0.0 98.3 0.5 0.0
[103,] 103 0.0 0.0 0.0 0.0 80.9 0.0 0.0
[104,] 104 0.0 0.0 0.0 0.0 81.0 0.0 0.0
[105,] 105 0.0 0.0 0.0 0.0 80.6 18.6 0.0
[106,] 106 0.0 0.0 0.0 0.0 10.1 0.0 1.6
[107,] 107 0.0 0.0 0.0 0.0 0.1 0.0 0.0
[108,] 108 0.0 0.0 0.0 0.0 0.0 0.0 0.0
residue 5-Helix 3-Helix Coil Bend Turn 4-Helix B-Bridge B-Strand
[1,] 1 0 0 100.00 0.00 0.00 0.00 0.00 0
[2,] 2 0 0 40.91 0.00 59.09 0.00 0.00 0
[3,] 3 0 0 0.00 40.91 59.09 0.00 0.00 0
[4,] 4 0 0 2.12 97.27 0.15 0.00 0.45 0
[5,] 5 0 0 82.88 14.39 2.73 0.00 0.00 0
[6,] 6 0 0 0.00 20.45 79.55 0.00 0.00 0
[7,] 7 0 0 0.91 19.24 79.85 0.00 0.00 0
[8,] 8 0 0 83.48 15.76 0.30 0.00 0.45 0
[9,] 9 0 0 100.00 0.00 0.00 0.00 0.00 0
[10,] 10 0 0 0.00 0.00 0.30 99.70 0.00 0
[11,] 11 0 0 0.00 0.00 0.30 99.70 0.00 0
[12,] 12 0 0 0.00 0.00 0.00 100.00 0.00 0
[13,] 13 0 0 0.00 0.00 0.00 100.00 0.00 0
[14,] 14 0 0 0.00 0.00 3.64 96.36 0.00 0
[15,] 15 0 0 0.00 0.76 10.76 88.48 0.00 0
[16,] 16 0 0 1.36 98.64 0.00 0.00 0.00 0
[17,] 17 0 0 100.00 0.00 0.00 0.00 0.00 0
[18,] 18 0 0 0.00 0.00 0.45 99.55 0.00 0
[19,] 19 0 0 0.00 0.00 0.15 99.85 0.00 0
[20,] 20 0 0 0.00 0.00 0.00 100.00 0.00 0
[21,] 21 0 0 0.00 0.00 0.00 100.00 0.00 0
[22,] 22 0 0 0.00 0.00 0.00 100.00 0.00 0
[23,] 23 0 0 0.00 0.00 0.00 100.00 0.00 0
[24,] 24 0 0 0.00 0.00 0.00 100.00 0.00 0
[25,] 25 0 0 0.00 0.00 0.00 100.00 0.00 0
[26,] 26 0 0 0.00 0.00 0.15 99.85 0.00 0
[27,] 27 0 0 0.00 0.00 0.15 99.85 0.00 0
[28,] 28 0 0 0.00 0.15 2.58 97.27 0.00 0
[29,] 29 0 0 11.82 6.97 25.45 55.76 0.00 0
[30,] 30 0 0 86.36 8.79 4.09 0.76 0.00 0
[31,] 31 0 0 96.06 0.00 3.94 0.00 0.00 0
[32,] 32 0 0 100.00 0.00 0.00 0.00 0.00 0
residue 3-Helix 4-Helix 5-Helix Turn B-Strand B-Bridge Bend
[1,] 1 0 0 0 0 0 7 0
[2,] 2 0 0 0 0 0 99 0
[3,] 3 0 0 0 0 0 100 0
[4,] 4 0 0 0 0 0 100 0
[5,] 5 0 0 0 1 0 40 22
[6,] 6 0 0 0 41 0 0 59
[7,] 7 0 0 0 40 0 0 60
[8,] 8 0 0 0 0 0 40 0
[9,] 9 0 0 0 0 0 100 0
[10,] 10 0 0 0 0 0 100 0
[11,] 11 0 0 0 0 0 99 0
[12,] 12 0 0 0 0 0 7 0
[13,] 13 0 0 0 0 0 0 0
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.