Secondary structure calculation program - copyright by David Keith Smith, 1989
1h7dA.pdb
1H7D ACYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 49
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 A 1 MET M 0 0 999.9 175.8 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 6
2 A 2 VAL V + 0 0 -128.9 89.0 180.0 95.8 999.9 143.6 0 0.0 0 0.0 0 0.0 0 0.0 3 6
3 A 3 ALA A - 0 0 -176.8 107.3 -180.0 -174.1 38.7 125.8 0 0.0 5 -0.6 0 0.0 0 0.0 6 7
4 A 4 ALA A S S S- 0 0 -106.0 61.9 -180.0 -67.7 76.1 121.5 0 0.0 0 0.0 0 0.0 0 0.0 4 8
5 A 5 ALA A S S S+ 0 0 51.8 75.2 -180.0 129.4 95.7 11.4 3 -0.6 0 0.0 0 0.0 0 0.0 5 9
6 A 6 MET M + 0 0 -152.1 48.2 -179.9 66.8 50.1 101.0 0 0.0 0 0.0 0 0.0 0 0.0 5 10
7 A 7 LEU L S S S+ 0 0 -167.4 60.3 -180.0 80.4 75.8 102.3 0 0.0 0 0.0 0 0.0 0 0.0 5 11
8 A 8 LEU L + 0 0 -173.8 101.2 180.0 104.8 42.2 124.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
9 A 9 ARG R + 0 0 -176.1 46.5 180.0 129.4 27.8 88.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
10 A 10 SER S S S S- 0 0 -100.3 32.9 180.0 -101.8 84.2 95.8 0 0.0 0 0.0 0 0.0 0 0.0 4 11
11 A 11 CYS C + 0 0 43.6 73.4 -180.0 171.7 57.3 18.6 0 0.0 0 0.0 0 0.0 0 0.0 5 12
12 A 12 PRO P - 0 0 -75.0 -54.7 180.0 -67.1 64.5 17.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
13 A 13 VAL V - 0 0 -167.0 -43.6 -180.0 -138.2 44.4 78.9 0 0.0 0 0.0 0 0.0 0 0.0 7 12
14 A 14 LEU L - 0 0 72.5 27.3 180.0 -82.6 60.7 39.3 0 0.0 16 -2.8 0 0.0 0 0.0 6 12
15 A 15 SER S S S S+ 0 0 75.7 -57.8 180.0 32.6 130.3 108.7 0 0.0 0 0.0 0 0.0 0 0.0 4 11
16 A 16 GLN Q S S S+ 0 0 -131.1 73.2 -180.0 131.5 75.6 128.9 14 -2.8 0 0.0 0 0.0 0 0.0 6 11
17 A 17 GLY G + 0 0 -84.7 -65.3 -180.0 38.3 66.4 17.6 0 0.0 0 0.0 0 0.0 0 0.0 7 13
18 A 18 PRO P S S S+ 0 0 -75.0 -171.5 180.0 65.1 88.1 87.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
19 A 19 THR T + 0 0 62.6 31.6 -180.0 127.3 69.3 35.3 0 0.0 0 0.0 0 0.0 0 0.0 6 13
20 A 20 GLY G S S S- 0 0 -120.0 68.9 180.0 -41.9 89.3 127.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13
21 A 21 LEU L S S S+ 0 0 73.0 88.5 180.0 123.0 94.3 17.5 0 0.0 0 0.0 0 0.0 0 0.0 6 13
22 A 22 LEU L t > > T + 0 0 -137.4 -61.3 -180.0 59.2 61.6 62.1 0 0.0 26 -1.6 0 0.0 25 -1.3 7 14
23 A 23 GLY G T T 4 3 TS+ 0 0 -47.9 -26.4 -180.0 58.8 105.6 41.1 0 0.0 0 0.0 0 0.0 0 0.0 6 13
24 A 24 LYS K T T > > TS+ 0 0 -70.7 -43.0 -180.0 45.0 105.7 25.4 0 0.0 28 -2.7 0 0.0 27 -0.6 8 15
25 A 25 VAL V T T 4 < TS+ 0 0 -73.3 -17.2 180.0 62.4 108.3 48.1 22 -1.3 0 0.0 0 0.0 0 0.0 9 15
26 A 26 ALA A T T < 3 TS+ 0 0 -103.8 49.8 -180.0 12.8 123.0 111.1 22 -1.6 0 0.0 0 0.0 0 0.0 8 15
27 A 27 LYS K T h > < TS+ 0 0 179.6 -55.0 180.0 63.0 117.1 91.7 24 -0.6 31 -0.5 0 0.0 0 0.0 8 13
28 A 28 THR T H H X > TS+ 0 0 -55.1 -53.3 180.0 42.3 110.7 19.3 24 -2.7 32 -2.0 0 0.0 31 -1.6 8 14
29 A 29 TYR Y H H > 3 TS+ 0 0 -63.7 -31.4 -180.0 73.0 100.0 35.9 0 0.0 33 -0.5 0 0.0 0 0.0 9 16
30 A 30 GLN Q H H 4 3 TS+ 0 0 -56.3 -18.4 -180.0 30.0 111.9 46.0 0 0.0 0 0.0 0 0.0 0 0.0 8 14
31 A 31 PHE F H H < < TS+ 0 0 -109.4 -34.1 -180.0 47.8 122.1 45.5 28 -1.6 0 0.0 27 -0.5 0 0.0 8 15
32 A 32 LEU L H H < TS+ 0 0 -95.5 22.9 -180.0 100.2 86.0 86.6 28 -2.0 0 0.0 0 0.0 0 0.0 7 15
33 A 33 PHE F S h < TS+ 0 0 -71.6 -52.9 -180.0 4.4 99.5 17.7 29 -0.5 0 0.0 0 0.0 0 0.0 6 15
34 A 34 SER S S S S+ 0 0 -139.0 87.3 -180.0 146.7 78.4 138.0 0 0.0 0 0.0 0 0.0 0 0.0 5 12
35 A 35 ILE I - 0 0 -82.5 -96.2 180.0 -139.4 40.5 30.0 0 0.0 0 0.0 0 0.0 0 0.0 7 12
36 A 36 GLY G S S S+ 0 0 164.5 -55.5 180.0 60.5 85.4 99.8 0 0.0 38 -0.8 0 0.0 0 0.0 4 11
37 A 37 ARG R S S S- 0 0 -95.6 54.5 -180.0 -170.9 76.5 113.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
38 A 38 CYS C - 0 0 -43.5 151.0 -180.0 -92.6 33.7 91.0 36 -0.8 0 0.0 0 0.0 0 0.0 5 14
39 A 39 PRO P + 0 0 -75.0 131.9 -180.0 173.9 43.0 123.5 0 0.0 0 0.0 0 0.0 0 0.0 5 13
40 A 40 ILE I S S S+ 0 0 -105.7 -31.1 180.0 50.2 79.0 46.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10
41 A 41 LEU L S S S- 0 0 -71.2 -57.7 -180.0 -170.8 83.7 13.5 0 0.0 0 0.0 0 0.0 0 0.0 5 10
42 A 42 ALA A + 0 0 63.3 113.8 -180.0 21.8 66.1 35.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
43 A 43 THR T S S S+ 0 0 63.4 64.4 180.0 135.0 77.2 7.6 0 0.0 0 0.0 0 0.0 0 0.0 6 11
44 A 44 GLN Q + 0 0 -111.9 -24.0 180.0 65.4 55.0 52.6 0 0.0 0 0.0 0 0.0 0 0.0 5 11
45 A 45 GLY G S S S- 0 0 -81.8 -158.9 -180.0 -49.1 102.3 81.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
46 A 46 PRO P - 0 0 -75.0 160.4 -180.0 -116.9 47.2 108.3 0 0.0 0 0.0 0 0.0 0 0.0 6 8
47 A 47 THR T S S S+ 0 0 -64.6 -33.7 -180.0 22.7 102.2 33.5 0 0.0 0 0.0 0 0.0 0 0.0 5 8
48 A 48 CYS C 0 0 -135.8 147.9 180.0 999.9 999.9 167.3 0 0.0 0 0.0 0 0.0 0 0.0 3 7
49 A 49 SER S 0 0 47.9 999.9 999.9 999.9 999.9 84.9 0 0.0 0 0.0 0 0.0 0 0.0 3 6
1h7dA.pdb
1H7D ACYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS S S SS S SS TTTTTHHHHHSS SS SS S S S Kabs/Sand
chirality +--+++++-+---+++++-++++++++++++++-+--++-+++--+ chirality
bends SS S S SS S SS SSSSSSSSSSSS SS SS S S S bends
turns TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3><3<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >4>4<>X>4<<< 4-turns
summary SS S S SS S SStTTTThHHHHHhS SS SS S S S summary
sequence MVAAAMLLRSCPVLSQGPTGLLGKVAKTYQFLFSIGRCPILATQGPTCS sequence
10 20 30 40