Secondary structure calculation program - copyright by David Keith Smith, 1989
1k4cC.pdb
1K4C MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 103
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 C 22 SER S 0 0 999.9 133.7 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
2 C 23 ALA A h > > T - 0 0 -60.8 157.7 -179.6 -107.8 999.9 99.0 0 0.0 6 -1.9 0 0.0 5 -0.5 5 21
3 C 24 LEU L H H > 3 TS+ 0 0 -53.4 -51.9 -178.1 55.4 113.7 25.3 0 0.0 7 -3.4 0 0.0 0 0.0 6 20
4 C 25 HIS H H H > 3 TS+ 0 0 -57.3 -31.7 178.6 47.0 109.7 36.0 0 0.0 8 -1.4 0 0.0 0 0.0 9 27
5 C 26 TRP W H H > < TS+ 0 0 -76.3 -40.8 179.8 46.5 114.4 25.7 2 -0.5 9 -2.4 0 0.0 0 0.0 9 27
6 C 27 ARG R H H X TS+ 0 0 -65.6 -44.0 179.6 49.3 113.2 22.5 2 -1.9 10 -2.8 0 0.0 0 0.0 9 23
7 C 28 ALA A H H X TS+ 0 0 -62.8 -36.9 179.6 52.1 110.1 30.2 3 -3.4 11 -2.4 0 0.0 0 0.0 9 28
8 C 29 ALA A H H X TS+ 0 0 -65.3 -46.1 179.9 46.4 111.3 20.9 4 -1.4 12 -1.8 0 0.0 0 0.0 12 31
9 C 30 GLY G H H X TS+ 0 0 -61.1 -46.8 -179.5 48.9 113.3 20.4 5 -2.4 13 -2.0 0 0.0 0 0.0 8 28
10 C 31 ALA A H H X TS+ 0 0 -59.9 -42.4 -179.7 54.1 108.1 27.4 6 -2.8 14 -2.6 0 0.0 0 0.0 8 27
11 C 32 ALA A H H X TS+ 0 0 -61.2 -36.9 179.5 51.8 107.3 30.5 7 -2.4 15 -2.3 0 0.0 0 0.0 10 34
12 C 33 THR T H H X TS+ 0 0 -65.4 -46.4 179.9 46.2 111.1 21.9 8 -1.8 16 -2.3 0 0.0 0 0.0 9 34
13 C 34 VAL V H H X TS+ 0 0 -63.9 -40.8 179.6 49.4 113.3 27.0 9 -2.0 17 -1.6 0 0.0 0 0.0 8 27
14 C 35 LEU L H H X TS+ 0 0 -66.3 -39.5 179.5 53.3 108.8 25.2 10 -2.6 18 -2.5 0 0.0 0 0.0 8 32
15 C 36 LEU L H H X TS+ 0 0 -61.7 -43.9 179.1 51.0 106.9 22.8 11 -2.3 19 -2.5 0 0.0 0 0.0 11 42
16 C 37 VAL V H H X TS+ 0 0 -61.0 -35.6 179.6 50.6 110.5 28.9 12 -2.3 20 -2.0 0 0.0 0 0.0 8 36
17 C 38 ILE I H H X TS+ 0 0 -68.0 -42.2 179.2 48.5 110.4 24.0 13 -1.6 21 -2.7 0 0.0 0 0.0 8 32
18 C 39 VAL V H H X TS+ 0 0 -65.6 -36.8 179.5 53.2 109.6 29.6 14 -2.5 22 -2.9 0 0.0 0 0.0 10 41
19 C 40 LEU L H H X TS+ 0 0 -64.8 -44.5 179.5 42.6 113.3 22.4 15 -2.5 23 -2.0 0 0.0 0 0.0 13 46
20 C 41 LEU L H H X TS+ 0 0 -67.1 -47.5 179.9 43.5 118.9 20.6 16 -2.0 24 -2.1 0 0.0 0 0.0 9 37
21 C 42 ALA A H H X TS+ 0 0 -65.0 -41.5 179.1 51.9 113.9 24.8 17 -2.7 25 -2.9 0 0.0 0 0.0 8 40
22 C 43 GLY G H H X TS+ 0 0 -62.2 -38.1 179.2 51.2 108.5 29.2 18 -2.9 26 -2.3 0 0.0 0 0.0 13 51
23 C 44 SER S H H X TS+ 0 0 -64.4 -46.7 179.4 44.9 113.0 20.4 19 -2.0 27 -1.6 0 0.0 0 0.0 13 47
24 C 45 TYR Y H H X TS+ 0 0 -61.5 -49.5 -178.2 44.8 117.0 19.2 20 -2.1 28 -1.8 0 0.0 0 0.0 10 37
25 C 46 LEU L H H X TS+ 0 0 -67.4 -32.0 179.5 58.7 107.0 36.1 21 -2.9 29 -2.5 0 0.0 0 0.0 10 42
26 C 47 ALA A H H X TS+ 0 0 -64.5 -44.2 179.3 45.9 108.0 23.0 22 -2.3 30 -2.6 0 0.0 0 0.0 16 49
27 C 48 VAL V H H X TS+ 0 0 -64.2 -41.6 179.7 51.7 112.6 22.6 23 -1.6 31 -2.3 0 0.0 0 0.0 14 42
28 C 49 LEU L H H < TS+ 0 0 -60.7 -41.8 -179.5 42.2 115.1 25.8 24 -1.8 0 0.0 0 0.0 0 0.0 8 36
29 C 50 ALA A H H < TS+ 0 0 -75.3 -35.9 -177.1 44.8 117.6 31.5 25 -2.5 0 0.0 0 0.0 0 0.0 10 35
30 C 51 GLU E H H < > TS+ 0 0 -84.1 -33.5 178.5 89.1 86.6 35.2 26 -2.6 33 -1.9 0 0.0 0 0.0 16 36
31 C 52 ARG R T h < 3 TS+ 0 0 -64.5 137.3 -178.1 43.2 86.6 118.7 27 -2.3 0 0.0 0 0.0 0 0.0 10 30
32 C 53 GLY G T T 3 TS+ 0 0 108.4 -11.5 179.0 104.8 89.5 76.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
33 C 54 ALA A S t X TS- 0 0 -106.9 109.7 -179.7 -123.4 76.5 154.1 30 -1.9 36 -2.3 0 0.0 0 0.0 8 22
34 C 55 PRO P T T 3 TS+ 0 0 -52.6 125.2 -179.9 16.9 95.2 104.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
35 C 56 GLY G T T 3 TS+ 0 0 97.8 -18.1 -179.3 142.1 88.2 80.8 0 0.0 0 0.0 0 0.0 0 0.0 4 19
36 C 57 ALA A t < T - 0 0 -61.2 142.3 -179.8 -175.2 28.9 105.8 33 -2.3 0 0.0 0 0.0 0 0.0 10 30
37 C 58 GLN Q + 0 0 -112.6 -17.0 -179.3 85.2 65.2 56.4 0 0.0 39 -1.9 0 0.0 0 0.0 8 35
38 C 59 LEU L + 0 0 -86.7 66.9 -174.5 114.4 62.0 118.6 0 0.0 0 0.0 0 0.0 0 0.0 14 47
39 C 60 ILE I + 0 0 -125.0 6.6 176.2 63.5 52.1 71.7 37 -1.9 0 0.0 0 0.0 0 0.0 11 37
40 C 61 THR T S h > TS- 0 0 -131.1 144.4 -175.2 -125.3 76.4 170.1 0 0.0 44 -1.5 0 0.0 0 0.0 7 32
41 C 62 TYR Y H H > TS+ 0 0 -60.8 -42.7 -179.9 56.8 99.8 32.2 0 0.0 45 -2.0 0 0.0 0 0.0 9 30
42 C 63 PRO P H H > TS+ 0 0 -57.2 -51.1 179.8 37.4 115.0 16.7 0 0.0 46 -1.5 0 0.0 0 0.0 6 26
43 C 64 ARG R H H > TS+ 0 0 -72.0 -23.7 178.3 61.3 111.8 38.1 0 0.0 47 -2.7 0 0.0 0 0.0 8 34
44 C 65 ALA A H H X TS+ 0 0 -69.3 -33.2 178.4 49.6 103.6 31.1 40 -1.5 48 -2.2 0 0.0 0 0.0 14 45
45 C 66 LEU L H H X TS+ 0 0 -69.3 -41.4 177.8 49.2 111.0 24.6 41 -2.0 49 -1.9 0 0.0 0 0.0 12 42
46 C 67 TRP W H H X TS+ 0 0 -60.1 -46.5 178.4 50.9 110.9 21.7 42 -1.5 50 -2.4 0 0.0 0 0.0 8 42
47 C 68 TRP W H H X TS+ 0 0 -57.8 -43.0 -178.4 53.0 107.4 25.8 43 -2.7 51 -1.2 0 0.0 0 0.0 12 49
48 C 69 SER S H H X TS+ 0 0 -63.2 -37.7 179.4 48.0 110.4 27.5 44 -2.2 52 -2.6 0 0.0 0 0.0 13 55
49 C 70 VAL V H H X TS+ 0 0 -68.3 -49.2 -179.5 46.9 111.5 17.7 45 -1.9 53 -2.0 0 0.0 0 0.0 9 49
50 C 71 GLU E H H < >TS+ 0 0 -68.1 -13.6 177.5 49.4 115.6 48.1 46 -2.4 56 -2.2 0 0.0 55 -1.0 11 40
51 C 72 THR T H H < >5TS+ 0 0 -86.9 -46.8 179.8 49.7 108.9 28.3 47 -1.2 54 -1.2 0 0.0 0 0.0 13 45
52 C 73 ALA A H H < 35TS+ 0 0 -62.6 -30.7 179.6 47.8 112.4 36.5 48 -2.6 0 0.0 0 0.0 0 0.0 14 48
53 C 74 THR T T h < 35TS- 0 0 -85.3 -7.1 -178.0 -125.9 111.9 56.9 49 -2.0 0 0.0 0 0.0 0 0.0 9 36
54 C 75 THR T T T <5TS+ 0 0 68.7 21.8 179.1 125.8 73.9 50.4 51 -1.2 0 0.0 0 0.0 0 0.0 9 30
55 C 76 VAL V t TS- 0 0 -95.6 163.2 178.9 -115.8 83.5 122.6 0 0.0 68 -2.2 0 0.0 0 0.0 9 28
65 C 86 LEU L H H > TS+ 0 0 -56.8 -53.7 -178.8 42.0 115.4 19.6 0 0.0 69 -2.1 0 0.0 0 0.0 6 25
66 C 87 TRP W H H > TS+ 0 0 -66.8 -33.5 178.9 53.6 112.9 32.9 0 0.0 70 -2.2 0 0.0 0 0.0 9 29
67 C 88 GLY G H H > TS+ 0 0 -67.7 -36.4 179.4 48.4 110.4 28.4 0 0.0 71 -2.1 0 0.0 0 0.0 14 43
68 C 89 ARG R H H X TS+ 0 0 -71.8 -35.8 176.9 52.3 108.7 30.5 64 -2.2 72 -2.1 0 0.0 0 0.0 10 39
69 C 90 CYS C H H X TS+ 0 0 -64.8 -40.8 178.5 50.0 109.8 23.1 65 -2.1 73 -1.8 0 0.0 0 0.0 8 32
70 C 91 VAL V H H X TS+ 0 0 -60.3 -44.0 179.8 53.4 108.7 21.7 66 -2.2 74 -2.2 0 0.0 0 0.0 11 44
71 C 92 ALA A H H X TS+ 0 0 -58.8 -41.4 -179.6 53.4 105.2 27.3 67 -2.1 75 -2.8 0 0.0 0 0.0 13 50
72 C 93 VAL V H H X TS+ 0 0 -63.6 -37.6 179.2 50.2 108.1 25.7 68 -2.1 76 -2.6 0 0.0 0 0.0 8 39
73 C 94 VAL V H H X TS+ 0 0 -65.3 -41.5 179.2 48.5 111.6 23.2 69 -1.8 77 -2.3 0 0.0 0 0.0 8 40
74 C 95 VAL V H H X TS+ 0 0 -62.8 -45.7 179.2 49.2 112.2 22.2 70 -2.2 78 -2.4 0 0.0 0 0.0 14 49
75 C 96 MET M H H X TS+ 0 0 -57.8 -53.4 -178.8 44.6 113.6 19.3 71 -2.8 79 -2.8 0 0.0 0 0.0 12 44
76 C 97 VAL V H H X TS+ 0 0 -61.6 -39.4 180.0 51.5 112.9 29.3 72 -2.6 80 -2.5 0 0.0 0 0.0 9 34
77 C 98 ALA A H H X TS+ 0 0 -65.6 -41.9 179.8 45.8 112.9 23.9 73 -2.3 81 -2.3 0 0.0 0 0.0 11 40
78 C 99 GLY G H H X TS+ 0 0 -66.2 -49.8 -179.9 45.5 114.8 17.8 74 -2.4 82 -2.6 0 0.0 0 0.0 13 44
79 C 100 ILE I H H X TS+ 0 0 -59.2 -48.3 179.4 47.5 115.6 19.1 75 -2.8 83 -2.2 0 0.0 0 0.0 11 33
80 C 101 THR T H H X TS+ 0 0 -60.0 -42.8 -179.6 49.3 112.7 25.4 76 -2.5 84 -2.0 0 0.0 0 0.0 8 34
81 C 102 SER S H H X TS+ 0 0 -65.0 -48.0 178.8 41.8 114.7 21.3 77 -2.3 85 -1.4 0 0.0 0 0.0 12 38
82 C 103 PHE F H H X TS+ 0 0 -68.1 -31.0 179.6 55.1 113.8 32.1 78 -2.6 86 -1.9 0 0.0 0 0.0 8 38
83 C 104 GLY G H H X TS+ 0 0 -67.9 -36.5 179.8 52.2 105.3 28.2 79 -2.2 87 -2.2 0 0.0 0 0.0 8 30
84 C 105 LEU L H H X TS+ 0 0 -69.3 -31.7 178.3 53.5 106.2 33.1 80 -2.0 88 -1.8 0 0.0 0 0.0 11 32
85 C 106 VAL V H H X TS+ 0 0 -67.9 -41.5 178.6 50.1 108.6 23.0 81 -1.4 89 -2.3 0 0.0 0 0.0 9 31
86 C 107 THR T H H X TS+ 0 0 -59.8 -43.9 -179.6 50.6 110.0 23.2 82 -1.9 90 -2.4 0 0.0 0 0.0 8 26
87 C 108 ALA A H H X TS+ 0 0 -63.6 -35.3 179.5 50.5 109.7 32.6 83 -2.2 91 -1.9 0 0.0 0 0.0 9 27
88 C 109 ALA A H H X TS+ 0 0 -70.7 -38.9 179.1 50.3 109.6 27.7 84 -1.8 92 -2.0 0 0.0 0 0.0 11 28
89 C 110 LEU L H H X TS+ 0 0 -65.2 -40.4 179.6 51.0 109.6 25.3 85 -2.3 93 -2.4 0 0.0 0 0.0 8 25
90 C 111 ALA A H H X TS+ 0 0 -62.8 -43.1 -180.0 51.2 108.7 23.1 86 -2.4 94 -2.8 0 0.0 0 0.0 8 22
91 C 112 THR T H H X TS+ 0 0 -61.2 -39.5 178.6 51.6 109.3 26.6 87 -1.9 95 -2.5 0 0.0 0 0.0 9 24
92 C 113 TRP W H H X TS+ 0 0 -62.4 -49.3 179.7 45.0 111.9 19.2 88 -2.0 96 -2.4 0 0.0 0 0.0 8 24
93 C 114 PHE F H H X TS+ 0 0 -63.1 -40.5 179.5 52.6 112.2 26.7 89 -2.4 97 -2.7 0 0.0 0 0.0 8 20
94 C 115 VAL V H H X TS+ 0 0 -60.7 -45.6 179.5 47.8 110.4 21.9 90 -2.8 98 -2.1 0 0.0 0 0.0 8 20
95 C 116 GLY G H H X TS+ 0 0 -61.7 -43.8 -179.7 47.7 113.3 23.7 91 -2.5 99 -1.6 0 0.0 0 0.0 8 20
96 C 117 ARG R H H X TS+ 0 0 -65.4 -41.6 -179.8 50.9 110.6 26.8 92 -2.4 100 -2.4 0 0.0 0 0.0 8 16
97 C 118 GLU E H H X TS+ 0 0 -65.0 -39.8 178.8 55.2 106.0 26.6 93 -2.7 101 -1.0 0 0.0 0 0.0 8 14
98 C 119 GLN Q H H < >>TS+ 0 0 -57.4 -44.2 179.4 47.4 110.2 21.4 94 -2.1 103 -2.5 0 0.0 101 -0.6 9 13
99 C 120 GLU E H H < >5TS+ 0 0 -60.2 -51.6 -180.0 56.3 105.7 18.9 95 -1.6 102 -3.3 0 0.0 0 0.0 8 12
100 C 121 ARG R H H < 35TS+ 0 0 -55.2 -19.5 179.2 51.6 108.0 45.4 96 -2.4 0 0.0 0 0.0 0 0.0 7 11
101 C 122 ARG R T h < <5TS- 0 0 -99.3 3.9 179.2 -106.8 123.4 69.6 97 -1.0 0 0.0 98 -0.6 0 0.0 6 10
102 C 123 GLY G T T <5T 0 0 86.6 1.4 179.9 999.9 999.9 62.2 99 -3.3 0 0.0 0 0.0 0 0.0 5 9
103 C 124 HIS H t 5555< >55 5-turns
3-turns >33< >33X33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHHHHHHHHhTtTTt hHHHHHHHHHHHHhTt SSS hHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH summary
sequence SALHWRAAGAATVLLVIVLLAGSYLAVLAERGAPGAQLITYPRALWWSVETATTVGYGDLYPVTLWGRCVAVVVMVAGITSFGLVTAALATWFVGREQER sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT Kabs/Sand
chirality - chirality
bends S bends
turns TTT turns
5-turns 55< 5-turns
3-turns << 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns < 4-turns
summary hTt summary
sequence RGH sequence