Secondary structure calculation program - copyright by David Keith Smith, 1989
1dec-.pdb
1DEC BLOOD COAGULATION DECORSIN (NMR, 25 STRUCTURES) NORTH AMERICAN LEECH (MACROBDELLA DECORA) RECOMBIN
Sequence length - 39
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 ALA A 0 0 999.9 111.2 177.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 2 PRO P - 0 0 -56.2 153.2 179.6 -109.0 999.9 96.0 0 0.0 4 -1.0 0 0.0 0 0.0 3 15
3 3 ARG R + 0 0 -87.7 96.8 -168.6 178.5 51.8 136.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
4 4 LEU L - 0 0 -108.6 136.0 163.8 -123.8 26.7 148.3 2 -1.0 0 0.0 0 0.0 0 0.0 8 23
5 5 PRO P - 0 0 -53.8 171.3 174.4 -88.2 43.6 91.6 0 0.0 16 -2.8 0 0.0 0 0.0 7 25
6 6 GLN Q B B a - 16 0 -89.5 137.5 -177.3 -109.1 47.9 138.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
7 7 CYS C - 0 0 -67.1 151.8 179.2 -174.9 28.0 102.7 16 -2.2 0 0.0 0 0.0 0 0.0 11 32
8 8 GLN Q - 0 0 -111.3 -57.9 -179.6 -58.3 62.0 38.6 0 0.0 0 0.0 0 0.0 0 0.0 5 31
9 9 GLY G S S S- 0 0 162.7 95.2 -171.1 -5.2 113.5 99.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
10 10 ASP D S S S- 0 0 63.5 83.2 -162.3 -146.0 94.2 12.0 27 -1.1 0 0.0 0 0.0 0 0.0 10 27
11 11 ASP D - 0 0 -90.5 161.6 170.9 -139.1 27.2 107.5 0 0.0 0 0.0 0 0.0 0 0.0 12 28
12 12 GLN Q S S S+ 0 0 -77.3 -46.4 178.0 20.4 90.3 26.7 0 0.0 0 0.0 0 0.0 0 0.0 6 20
13 13 GLU E S S S- 0 0 -121.7 172.7 -175.9 -68.4 102.7 135.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
14 14 LYS K + 0 0 -67.6 134.8 -166.6 161.9 63.4 111.3 0 0.0 0 0.0 0 0.0 0 0.0 11 30
15 15 CYS C E E AA - 22 0 -152.1 166.2 178.7 -81.7 43.7 158.5 22 -1.7 22 -2.2 0 0.0 17 -0.6 13 32
16 16 LEU L E E AAa - 21 6 -82.3 116.0 175.8 -156.3 30.2 133.9 5 -2.8 7 -2.2 0 0.0 18 -1.0 12 33
17 17 CYS C S e S- 0 0 -94.1 94.5 -165.9 -48.2 78.5 144.9 20 -2.7 19 -1.5 15 -0.6 0 0.0 14 34
18 18 ASN N S S S- 0 0 69.8 -84.6 167.2 -27.3 128.5 127.6 16 -1.0 0 0.0 0 0.0 0 0.0 9 31
19 19 LYS K S S S+ 0 0 -146.8 59.2 -176.1 106.5 117.2 109.6 17 -1.5 0 0.0 0 0.0 0 0.0 5 27
20 20 ASP D S e S- 0 0 -143.7 120.8 -177.2 -123.8 71.5 165.8 0 0.0 17 -2.7 0 0.0 22 -0.6 8 30
21 21 GLU E E E AA + 16 0 -73.5 107.3 -157.1 176.9 47.7 122.1 0 0.0 0 0.0 0 0.0 0 0.0 10 29
22 22 CYS C E E AA - 15 0 -129.1 135.9 -179.0 -112.6 31.0 158.6 15 -2.2 15 -1.7 20 -0.6 0 0.0 11 32
23 23 PRO P t > T - 0 0 -68.7 155.5 -173.9 -80.3 52.8 104.6 0 0.0 26 -0.6 0 0.0 0 0.0 9 31
24 24 PRO P T T 3 TS+ 0 0 -66.1 132.5 -170.6 16.2 114.0 107.7 0 0.0 0 0.0 0 0.0 0 0.0 11 28
25 25 GLY G T T 3 TS+ 0 0 103.6 -54.9 -175.8 82.1 106.6 114.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
26 26 GLN Q e < T + 0 0 -67.7 -5.9 174.1 106.4 59.1 61.1 23 -0.6 39 -2.0 0 0.0 28 -0.7 10 28
27 27 CYS C E E BB - 38 0 -78.2 111.8 -172.1 -167.5 55.9 132.4 0 0.0 10 -1.1 0 0.0 0 0.0 16 33
28 28 ARG R E E BB - 37 0 -110.6 140.5 -168.0 -150.8 13.9 145.4 37 -2.3 37 -1.5 26 -0.7 0 0.0 11 32
29 29 PHE F - 0 0 -118.6 93.0 177.4 -162.7 12.3 148.1 0 0.0 0 0.0 0 0.0 0 0.0 8 28
30 30 PRO P - 0 0 -79.3 153.7 -168.8 -107.5 24.1 116.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
31 31 ARG R S S S+ 0 0 -79.8 166.0 169.5 4.0 72.5 96.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
32 32 GLY G S S S- 0 0 76.1 -116.8 172.1 -7.1 130.1 118.3 0 0.0 0 0.0 0 0.0 0 0.0 4 9
33 33 ASP D S S S+ 0 0 -113.3 65.3 174.9 112.5 103.4 125.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10
34 34 ALA A - 0 0 -139.0 129.3 -171.2 -130.2 60.9 173.1 0 0.0 0 0.0 0 0.0 0 0.0 6 14
35 35 ASP D - 0 0 -82.2 148.5 176.5 -88.7 33.8 117.0 0 0.0 0 0.0 0 0.0 0 0.0 7 21
36 36 PRO P - 0 0 -58.5 119.6 -175.6 -158.6 49.2 110.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
37 37 TYR Y E E BB - 28 0 -105.4 143.3 169.4 -125.1 18.0 144.4 28 -1.5 28 -2.3 0 0.0 39 -0.6 10 31
38 38 CYS C E E BB 27 0 -83.0 120.7 -175.8 999.9 999.9 139.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
39 39 GLU E e 0 0 -83.3 999.9 999.9 999.9 999.9 129.2 26 -2.0 0 0.0 37 -0.6 0 0.0 5 25
1dec-.pdb
1DEC BLOOD COAGULATION DECORSIN (NMR, 25 STRUCTURES) NORTH AMERICAN LEECH (MACROBDELLA DECORA) RECOMBIN
author author
Kabs/Sand B SS SS EESSSSEE TT EE SSS EE Kabs/Sand
chirality -+--------+-+----+-+--+++----+-+---- chirality
bends SS SS SSSS SS SSS bends
turns TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 a bridge-2
bridge-1 a AA AA BB BB bridge-1
sheets AA AA BB BB sheets
4-turns 4-turns
summary B SS SS EEeSSeEEtTTeEE SSS EEe summary
sequence APRLPQCQGDDQEKCLCNKDECPPGQCRFPRGDADPYCE sequence
10 20 30