Secondary structure calculation program - copyright by David Keith Smith, 1989
1be3I.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 33
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 I 46 LYS K 0 0 999.9 134.2 179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 I 47 ARG R - 0 0 -118.0 126.5 -177.5 -110.8 999.9 159.9 0 0.0 0 0.0 0 0.0 0 0.0 3 9
3 I 48 SER S - 0 0 -60.2 129.5 -176.5 -164.6 22.9 108.9 0 0.0 0 0.0 0 0.0 0 0.0 4 10
4 I 49 VAL V + 0 0 -113.0 54.7 -174.4 126.6 43.2 116.7 0 0.0 0 0.0 0 0.0 0 0.0 6 11
5 I 50 LEU L + 0 0 -85.1 -33.2 -169.8 56.8 54.4 41.7 0 0.0 0 0.0 0 0.0 0 0.0 4 10
6 I 51 CYS C S t > TS- 0 0 -102.8 178.8 172.7 -83.4 94.4 118.1 0 0.0 9 -1.7 0 0.0 0 0.0 5 9
7 I 52 ARG R T T 3 TS+ 0 0 -41.0 -35.8 -179.7 91.8 103.2 45.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
8 I 53 GLU E T T 3 T + 0 0 -40.0 -40.6 173.6 118.7 50.0 47.3 0 0.0 0 0.0 0 0.0 0 0.0 5 10
9 I 54 SER S t < T + 0 0 -27.4 134.7 170.6 148.4 22.7 95.5 6 -1.7 0 0.0 0 0.0 0 0.0 6 11
10 I 55 LEU L + 0 0 -160.1 21.6 179.9 128.0 23.8 83.8 0 0.0 12 -0.6 0 0.0 0 0.0 4 14
11 I 56 ARG R + 0 0 -97.7 121.5 -179.4 127.1 19.0 139.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
12 I 57 GLY G - 0 0 -165.6 146.6 -161.6 -112.7 51.2 156.6 10 -0.6 14 -0.5 0 0.0 0 0.0 4 17
13 I 58 GLN Q + 0 0 -113.5 125.1 -180.0 116.6 52.5 146.7 0 0.0 0 0.0 0 0.0 0 0.0 7 16
14 I 59 ALA A + 0 0 178.4 97.4 179.7 158.7 20.1 119.5 12 -0.5 0 0.0 0 0.0 0 0.0 6 15
15 I 60 ALA A - 0 0 -113.5 179.5 -174.1 -100.4 45.2 128.8 0 0.0 0 0.0 0 0.0 0 0.0 7 14
16 I 61 GLY G S S S- 0 0 -69.5 -84.4 175.9 -6.6 100.4 2.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
17 I 62 ARG R S S S+ 0 0 -77.3 -61.7 -179.3 64.2 125.3 18.0 0 0.0 0 0.0 0 0.0 0 0.0 4 11
18 I 63 PRO P + 0 0 -69.7 134.5 172.9 178.7 58.9 110.6 0 0.0 0 0.0 0 0.0 0 0.0 7 14
19 I 64 LEU L S S S- 0 0 -140.1 117.5 -166.8 -9.3 70.7 146.0 0 0.0 0 0.0 0 0.0 0 0.0 10 16
20 I 65 VAL V S S S- 0 0 54.5 76.1 -179.8 -176.7 82.4 23.0 0 0.0 22 -0.6 0 0.0 0 0.0 8 17
21 I 66 ALA A e - 0 0 -105.2 106.2 176.7 -164.4 8.5 157.5 0 0.0 32 -1.7 0 0.0 23 -0.6 8 18
22 I 67 SER S E E AA - 31 0 -100.9 129.1 -176.2 -162.0 4.2 137.8 20 -0.6 0 0.0 0 0.0 0 0.0 7 18
23 I 68 VAL V E E AA - 30 0 -106.8 138.7 173.4 -175.9 14.3 146.5 30 -1.0 30 -2.8 21 -0.6 0 0.0 7 15
24 I 69 SER S E E AA - 29 0 -128.3 102.9 -176.1 -179.1 18.5 169.8 0 0.0 0 0.0 0 0.0 0 0.0 7 12
25 I 70 LEU L e - 0 0 -105.3 160.8 174.9 -115.9 40.8 143.7 28 -1.3 0 0.0 0 0.0 0 0.0 6 11
26 I 71 ASN N S S S+ 0 0 -58.4 -39.0 173.3 17.4 116.0 37.1 0 0.0 0 0.0 0 0.0 0 0.0 5 8
27 I 72 VAL V S S S+ 0 0 -97.5 -90.7 177.4 28.2 130.8 56.3 0 0.0 0 0.0 0 0.0 0 0.0 4 7
28 I 73 PRO P e - 0 0 -57.5 -177.8 175.3 -165.9 65.1 66.0 0 0.0 25 -1.3 0 0.0 0 0.0 6 10
29 I 74 ALA A E E AA + 24 0 -171.5 140.2 -176.2 133.2 15.9 143.7 0 0.0 0 0.0 0 0.0 0 0.0 8 12
30 I 75 SER S E E AA - 23 0 -169.8 -173.8 179.9 -104.8 41.7 160.6 23 -2.8 23 -1.0 0 0.0 0 0.0 7 14
31 I 76 VAL V E E AA + 22 0 -140.0 107.1 -176.6 155.5 38.8 149.5 0 0.0 0 0.0 0 0.0 0 0.0 8 18
32 I 77 ARG R e 0 0 -116.4 -165.7 177.8 999.9 999.9 105.6 21 -1.7 0 0.0 0 0.0 0 0.0 7 21
33 I 78 TYR Y 0 0 -140.5 999.9 999.9 999.9 999.9 115.8 0 0.0 0 0.0 0 0.0 0 0.0 9 18
1be3I.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STT SS SS EEE SS EEE Kabs/Sand
chirality --++-+++++-++--++-------++-+-+ chirality
bends SS SS SS SS bends
turns TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns 4-turns
summary tTTt SS SSeEEEeSSeEEEe summary
sequence KRSVLCRESLRGQAAGRPLVASVSLNVPASVRY sequence
10 20 30