Secondary structure calculation program - copyright by David Keith Smith, 1989
1cvo-.pdb
1CVO CYTOTOXIN CARDIOTOXIN V (NMR, 2 STRUCTURES) TAIWAN COBRA (NAJA NAJA ATRA)
Sequence length - 62
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 1 LEU L e 0 0 999.9 129.4 -174.7 999.9 999.9 999.9 0 0.0 15 -2.1 0 0.0 0 0.0 8 28
2 2 LYS K E E AA + 14 0 -123.0 150.0 -160.4 137.7 999.9 161.7 0 0.0 60 -0.8 0 0.0 0 0.0 9 34
3 3 CYS C E E AA - 13 0 -155.6 -135.1 -167.7 -56.8 39.5 144.1 13 -1.9 13 -0.8 0 0.0 0 0.0 15 36
4 4 HIS H + 0 0 -145.5 152.0 168.1 141.1 38.3 157.2 0 0.0 0 0.0 0 0.0 0 0.0 16 38
5 5 ASN N S S S+ 0 0 -148.0 -56.3 -176.3 36.2 87.6 50.1 0 0.0 38 -0.5 0 0.0 0 0.0 11 38
6 6 THR T + 0 0 -67.0 -54.4 -175.9 169.4 67.7 55.8 0 0.0 8 -5.7 0 0.0 0 0.0 11 28
7 7 GLN Q + 0 0 64.1 -54.2 157.5 113.4 41.6 77.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
8 8 LEU L S S S+ 0 0 -52.9 126.8 -93.6 15.7 98.9 141.1 6 -5.7 0 0.0 0 0.0 0 0.0 5 18
9 9 PRO P S S S- 0 0 -23.0 140.1 -177.0 -117.6 101.5 24.1 0 0.0 0 0.0 0 0.0 0 0.0 6 14
10 10 PHE F S S S+ 0 0 -34.7 -18.7 170.6 135.6 75.1 38.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19
11 11 ILE I + 0 0 -37.1 117.1 -161.1 173.0 36.6 82.6 0 0.0 0 0.0 0 0.0 0 0.0 8 17
12 12 TYR Y - 0 0 -118.8 -163.0 165.4 -135.1 25.8 159.7 0 0.0 0 0.0 0 0.0 0 0.0 11 26
13 13 LYS K E E AA - 3 0 -153.6 169.3 165.0 -101.5 25.2 167.1 3 -0.8 3 -1.9 0 0.0 0 0.0 8 30
14 14 THR T E E AA - 2 0 -79.8 155.0 175.0 -107.0 45.6 103.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
15 15 CYS C e - 0 0 -69.8 -173.3 177.1 -120.0 28.8 92.4 1 -2.1 0 0.0 0 0.0 0 0.0 11 32
16 16 PRO P t > T - 0 0 -116.3 -170.6 175.4 -62.0 44.3 92.9 0 0.0 19 -0.7 0 0.0 0 0.0 6 24
17 17 GLU E T T 3 TS+ 0 0 -82.8 133.9 -175.3 26.9 123.6 134.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
18 18 GLY G T T 3 TS+ 0 0 93.7 13.7 -166.8 102.6 99.0 44.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
19 19 LYS K t < T + 0 0 -136.9 74.1 -168.3 146.0 26.4 132.7 16 -0.7 0 0.0 0 0.0 0 0.0 10 32
20 20 ASN N + 0 0 -89.0 -18.0 -169.6 44.7 67.1 62.6 0 0.0 0 0.0 0 0.0 0 0.0 11 31
21 21 LEU L E E BB S- 41 0 -105.5 -156.8 174.6 -120.8 76.9 121.6 41 -2.0 41 -2.0 0 0.0 0 0.0 12 35
22 22 CYS C E E BBC + 40 56 -162.0 132.7 175.5 175.9 24.8 151.2 56 -1.9 56 -1.2 0 0.0 0 0.0 20 40
23 23 PHE F E E BBC - 39 55 -128.1 -178.6 173.9 -175.3 8.8 146.6 39 -2.1 39 -1.7 0 0.0 0 0.0 16 45
24 24 LYS K E E BBC - 38 54 -165.1 154.2 172.2 -162.5 8.6 143.8 54 -2.1 54 -2.6 0 0.0 0 0.0 14 45
25 25 ALA A E E BBC - 37 53 -134.4 178.5 179.5 -153.6 2.1 172.1 37 -3.1 36 -2.2 0 0.0 37 -1.8 13 38
26 26 THR T E E BBC - 36 52 -152.4 163.0 -173.7 -121.3 14.5 172.0 52 -2.4 52 -1.9 0 0.0 0 0.0 12 31
27 27 LEU L E E B C> T - 0 51 -111.8 148.0 172.9 -130.2 17.8 121.4 35 -1.3 29 -1.7 0 0.0 30 -0.6 12 24
28 28 LYS K T e 3 TS+ 0 0 -84.3 47.8 176.1 124.7 71.5 93.9 50 -2.0 0 0.0 0 0.0 0 0.0 9 20
29 29 LYS K T T 3 T + 0 0 -61.9 -69.4 -167.9 17.5 67.6 34.2 27 -1.7 0 0.0 0 0.0 0 0.0 6 17
30 30 PHE F S t < TS- 0 0 -122.2 139.5 174.0 -108.2 80.3 169.2 27 -0.6 32 -3.6 0 0.0 0 0.0 7 13
31 31 PRO P S S S+ 0 0 -57.6 76.9 -160.7 21.4 128.9 94.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
32 32 LEU L S S S- 0 0 150.9 -75.0 164.3 -167.2 110.4 104.7 30 -3.6 0 0.0 0 0.0 0 0.0 4 12
33 33 LYS K - 0 0 81.7 -176.3 -162.7 -113.8 30.5 120.6 0 0.0 0 0.0 0 0.0 0 0.0 9 16
34 34 PHE F - 0 0 -160.1 38.8 171.4 -121.1 47.3 95.9 0 0.0 0 0.0 0 0.0 0 0.0 8 22
35 35 PRO P e - 0 0 43.4 -167.7 -175.5 -119.5 19.2 86.0 0 0.0 27 -1.3 0 0.0 0 0.0 8 30
36 36 VAL V E E BB - 26 0 -126.9 -72.0 -166.4 -34.9 55.7 58.8 25 -2.2 0 0.0 0 0.0 0 0.0 8 33
37 37 LYS K E E BB - 25 0 -153.8 167.5 167.1 -170.2 43.8 157.2 25 -1.8 25 -3.1 0 0.0 0 0.0 9 39
38 38 ARG R E E BB + 24 0 -169.5 175.7 -166.7 123.2 23.1 147.4 5 -0.5 0 0.0 0 0.0 0 0.0 12 49
39 39 GLY G E E BB - 23 0 163.0 -158.4 166.6 -35.3 64.4 159.4 23 -1.7 23 -2.1 0 0.0 0 0.0 13 46
40 40 CYS C E E BB - 22 0 -91.0 -174.9 -159.4 -144.8 56.1 118.4 0 0.0 0 0.0 0 0.0 0 0.0 16 40
41 41 ALA A E E BB + 21 0 -148.0 -178.8 -164.7 176.6 26.9 133.9 21 -2.0 21 -2.0 0 0.0 0 0.0 13 38
42 42 ASP D S S S+ 0 0 -164.3 -73.4 170.8 7.5 82.4 67.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
43 43 ASN N S S S- 0 0 -88.1 -99.8 175.8 -90.6 100.8 36.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25
44 44 CYS C - 0 0 175.2 107.3 -161.6 -98.1 50.9 97.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
45 45 PRO P - 0 0 -45.1 166.9 176.6 -116.2 19.2 52.8 0 0.0 47 -0.9 0 0.0 0 0.0 8 31
46 46 LYS K - 0 0 -100.5 76.9 -178.3 -140.9 36.4 155.3 0 0.0 0 0.0 0 0.0 0 0.0 5 23
47 47 ASN N - 0 0 -37.8 162.3 -162.2 -121.4 31.8 116.2 45 -0.9 0 0.0 0 0.0 0 0.0 9 23
48 48 SER S t > T - 0 0 -109.7 -166.7 174.3 -85.2 19.6 74.7 0 0.0 51 -0.5 0 0.0 0 0.0 6 19
49 49 ALA A T T 3 TS+ 0 0 -68.6 -13.3 -170.6 7.8 130.3 77.8 0 0.0 0 0.0 0 0.0 0 0.0 4 14
50 50 LEU L T e 3 TS+ 0 0 -162.1 22.7 -176.5 70.1 120.8 78.0 0 0.0 28 -2.0 0 0.0 0 0.0 7 20
51 51 LEU L E E BC < T - 27 0 -133.4 -168.1 169.2 -133.9 57.2 163.2 48 -0.5 0 0.0 0 0.0 0 0.0 10 27
52 52 LYS K E E BC - 26 0 -151.4 142.0 170.3 -169.3 14.8 163.1 26 -1.9 26 -2.4 0 0.0 0 0.0 9 28
53 53 TYR Y E E BC + 25 0 -128.9 151.3 174.1 179.3 4.6 148.5 0 0.0 0 0.0 0 0.0 0 0.0 12 35
54 54 VAL V E E BC - 24 0 -146.7 148.2 -170.5 -161.2 8.5 164.7 24 -2.6 24 -2.1 0 0.0 0 0.0 10 33
55 55 CYS C E E BC - 23 0 -146.0 123.1 -177.0 -169.1 4.1 172.2 0 0.0 0 0.0 0 0.0 0 0.0 13 38
56 56 CYS C E E BC - 22 0 -94.2 -165.5 -176.6 -134.3 22.3 131.0 22 -1.2 22 -1.9 0 0.0 0 0.0 10 31
57 57 SER S S S S+ 0 0 -121.2 -33.5 -167.5 65.9 74.9 49.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
58 58 THR T S t > TS- 0 0 -101.9 -178.4 -169.0 -59.9 95.3 109.1 0 0.0 61 -1.7 0 0.0 0 0.0 9 27
59 59 ASP D T T 3 TS- 0 0 -72.6 127.0 175.1 -12.4 116.9 107.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
60 60 LYS K T T 3 TS+ 0 0 59.9 25.5 -175.4 138.6 97.4 46.5 2 -0.8 0 0.0 0 0.0 0 0.0 8 36
61 61 CYS C t < T 0 0 -75.9 -31.2 -176.8 999.9 999.9 46.5 58 -1.7 0 0.0 0 0.0 0 0.0 10 35
62 62 ASN N 0 0 -52.5 999.9 999.9 999.9 999.9 103.8 0 0.0 0 0.0 0 0.0 0 0.0 16 41
1cvo-.pdb
1CVO CYTOTOXIN CARDIOTOXIN V (NMR, 2 STRUCTURES) TAIWAN COBRA (NAJA NAJA ATRA)
author author
Kabs/Sand EE S SSS EE TT EEEEEEETTSSS EEEEEESS TTEEEEEESSTT Kabs/Sand
chirality +-+++++-++-----++++-+-----++-+------+--++------++--+---+--+ chirality
bends S SSS SS S S SSS SS SS SSSS bends
turns TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 CCCCCC bridge-2
bridge-1 AA AA BBBBBB BBBBBB CCCCCC bridge-1
sheets AA AA BBBBBBB BBBBBB BBBBBB sheets
4-turns 4-turns
summary eEE S SSS EEetTTt EEEEEEEeTtSS eEEEEEESS tTeEEEEEEStTTt summary
sequence LKCHNTQLPFIYKTCPEGKNLCFKATLKKFPLKFPVKRGCADNCPKNSALLKYVCCSTDKCN sequence
10 20 30 40 50 60