Secondary structure calculation program - copyright by David Keith Smith, 1989
1k5mD.pdb
1K5M VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 40
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 D1929 ILE I 0 0 999.9 -57.6 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 9
2 D1930 ASN N + 0 0 -143.5 102.7 177.3 123.0 999.9 150.1 0 0.0 0 0.0 0 0.0 0 0.0 3 10
3 D1931 TYR Y + 0 0 -140.8 14.8 179.2 77.3 60.0 76.4 0 0.0 0 0.0 0 0.0 0 0.0 4 10
4 D1932 TYR Y - 0 0 -133.3 131.2 -177.9 -162.7 52.8 172.5 0 0.0 0 0.0 0 0.0 0 0.0 7 10
5 D1933 LYS K S S S+ 0 0 -80.5 -31.5 -179.5 66.0 75.5 39.4 0 0.0 0 0.0 0 0.0 0 0.0 4 10
6 D1934 ASP D S g > TS- 0 0 -97.5 138.8 -179.1 -143.5 71.6 141.7 0 0.0 9 -1.1 0 0.0 0 0.0 6 10
7 D1935 ALA A G G > TS+ 0 0 -69.8 -22.7 -179.8 70.6 97.1 41.6 0 0.0 10 -1.1 0 0.0 0 0.0 6 12
8 D1936 ALA A G G 3 TS+ 0 0 -67.5 -17.0 -178.1 64.6 89.7 44.0 0 0.0 0 0.0 0 0.0 0 0.0 4 11
9 D1937 SER S G G < TS+ 0 0 -78.9 -24.3 -178.4 97.4 82.2 45.5 6 -1.1 0 0.0 0 0.0 0 0.0 6 12
10 D1938 THR T S g < TS- 0 0 -64.7 162.6 179.5 -109.0 75.9 97.3 7 -1.1 0 0.0 0 0.0 0 0.0 7 13
11 D1939 SER S - 0 0 -78.0 -166.3 -177.8 -33.8 61.9 86.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
12 D1940 SER S - 0 0 -53.1 154.5 -177.6 -131.5 48.7 94.4 0 0.0 0 0.0 0 0.0 0 0.0 4 9
13 D1941 ALA A - 0 0 -80.9 -28.9 -178.3 -132.0 41.8 39.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
14 D1942 GLY G - 0 0 95.5 168.4 -176.6 -31.2 42.9 98.5 0 0.0 0 0.0 0 0.0 0 0.0 4 9
15 D1943 GLN Q - 0 0 -63.4 148.2 -178.9 -142.8 43.6 99.6 0 0.0 0 0.0 0 0.0 0 0.0 4 9
16 D1944 SER S - 0 0 -78.3 -39.6 179.2 -165.2 15.2 30.9 0 0.0 0 0.0 0 0.0 0 0.0 5 9
17 D1945 LEU L + 0 0 69.5 -8.8 -179.7 92.0 67.7 69.1 0 0.0 0 0.0 0 0.0 0 0.0 4 8
18 D1946 SER S + 0 0 -110.3 46.5 -178.5 155.1 51.0 104.3 0 0.0 20 -0.9 0 0.0 0 0.0 4 10
19 D1947 MET M + 0 0 -82.1 107.2 178.4 168.0 9.8 128.8 0 0.0 0 0.0 0 0.0 0 0.0 5 11
20 D1948 ASP D t > T - 0 0 -122.2 110.5 -179.4 -170.3 19.7 160.8 18 -0.9 23 -0.6 0 0.0 0 0.0 5 12
21 D1949 PRO P T h > > T + 0 0 -73.8 -7.1 -176.5 103.8 61.4 54.3 0 0.0 24 -2.8 0 0.0 25 -2.7 7 12
22 D1950 SER S H H > 3 TS+ 0 0 -44.8 -47.7 -178.1 58.6 71.5 37.9 0 0.0 26 -2.4 0 0.0 0 0.0 7 16
23 D1951 LYS K H H 4 < TS+ 0 0 -62.8 -13.0 178.7 31.4 119.4 48.6 20 -0.6 0 0.0 0 0.0 0 0.0 7 14
24 D1952 PHE F H H 4 < TS+ 0 0 -109.2 -41.7 -177.1 39.1 125.8 39.5 21 -2.8 0 0.0 0 0.0 0 0.0 6 11
25 D1953 THR T H H < TS+ 0 0 -82.1 -32.6 -178.6 22.3 130.8 35.6 21 -2.7 0 0.0 0 0.0 0 0.0 6 15
26 D1954 GLU E h < T + 0 0 -134.1 57.7 180.0 148.8 65.2 110.0 22 -2.4 28 -1.1 0 0.0 0 0.0 8 15
27 D1955 PRO P + 0 0 -83.3 41.3 -178.9 135.5 36.4 98.2 0 0.0 0 0.0 0 0.0 0 0.0 7 13
28 D1956 VAL V - 0 0 -92.5 150.5 -179.1 -138.5 57.0 133.3 26 -1.1 0 0.0 0 0.0 0 0.0 6 15
29 D1957 LYS K S S S+ 0 0 -69.9 -53.3 179.6 54.3 89.7 19.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
30 D1958 ASP D S S S- 0 0 -87.8 132.2 -178.4 -101.7 101.9 136.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
31 D1959 LEU L - 0 0 -55.2 121.8 178.0 -156.4 33.8 108.7 0 0.0 33 -0.6 0 0.0 0 0.0 5 17
32 D1960 MET M - 0 0 -105.8 112.4 -179.9 -158.1 7.7 155.4 0 0.0 0 0.0 0 0.0 0 0.0 8 18
33 D1961 LEU L t > T - 0 0 -91.4 138.5 176.5 -117.5 21.2 136.3 31 -0.6 36 -1.0 0 0.0 0 0.0 6 16
34 D1962 LYS K T T 3 TS+ 0 0 -71.9 125.6 -178.3 25.0 104.2 126.3 0 0.0 0 0.0 0 0.0 0 0.0 4 14
35 D1963 GLY G T T 3 TS+ 0 0 109.6 -35.6 176.8 99.1 101.3 91.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
36 D1964 ALA A S t < TS- 0 0 -80.5 153.7 179.1 -85.1 93.0 124.1 33 -1.0 0 0.0 0 0.0 0 0.0 6 10
37 D1965 PRO P - 0 0 -61.7 130.6 -177.6 -132.3 35.4 114.0 0 0.0 0 0.0 0 0.0 0 0.0 5 10
38 D1966 ALA A S S S+ 0 0 -50.2 -50.5 177.8 20.0 94.4 28.7 0 0.0 0 0.0 0 0.0 0 0.0 6 13
39 D1967 LEU L 0 0 -125.5 121.6 179.8 999.9 999.9 171.2 0 0.0 0 0.0 0 0.0 0 0.0 3 12
40 D1968 ASN N 0 0 -68.1 999.9 999.9 999.9 999.9 26.7 0 0.0 0 0.0 0 0.0 0 0.0 3 10
1k5mD.pdb
1K5M VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSGGGS THHHH SS TTS S Kabs/Sand
chirality ++-+-+++-------+++-+++++++-+----++--+ chirality
bends SSSSSS SSSS SS SSS S bends
turns TTTTT TTTTTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>44<< 4-turns
summary SgGGGg thHHHHh SS tTTt S summary
sequence INYYKDAASTSSAGQSLSMDPSKFTEPVKDLMLKGAPALN sequence
10 20 30 40