Secondary structure calculation program - copyright by David Keith Smith, 1989
1ccr-.pdb
1CCR ELECTRON TRANSPORT(CYTOCHROME) CYTOCHROME $C RICE EMBRYOS (ORYZA $SATIVA L)
Sequence length - 111
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 -24.8 178.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
2 2 SER S g > > T - 0 0 -139.9 165.0 -177.4 -100.0 999.9 159.0 0 0.0 5 -2.0 0 0.0 6 -0.7 8 29
3 3 PHE F G G 4 > TS+ 0 0 -52.2 -38.6 -179.1 65.1 119.3 30.8 0 0.0 6 -1.0 0 0.0 0 0.0 10 31
4 4 SER S G G 4 3 TS+ 0 0 -52.8 -36.1 -176.3 36.7 108.2 43.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
5 5 GLU E G G 4 < TS+ 0 0 -101.1 -4.0 -176.1 116.9 93.8 71.9 2 -2.0 0 0.0 0 0.0 0 0.0 6 20
6 6 ALA A S g < < TS- 0 0 -70.7 156.7 177.7 -93.4 72.4 106.0 3 -1.0 0 0.0 2 -0.7 0 0.0 10 30
7 7 PRO P - 0 0 -62.8 155.5 175.2 -87.8 51.7 101.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
8 8 PRO P - 0 0 -61.9 150.8 -175.9 -116.9 51.1 109.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
9 9 GLY G - 0 0 -100.9 144.5 179.3 -159.7 18.8 133.9 0 0.0 0 0.0 0 0.0 0 0.0 11 35
10 10 ASN N h > T - 0 0 -122.3 110.1 -179.2 -156.2 7.8 164.2 0 0.0 14 -2.2 0 0.0 0 0.0 10 27
11 11 PRO P H H > TS+ 0 0 -61.2 -27.1 177.3 57.1 92.4 45.7 0 0.0 15 -1.8 0 0.0 0 0.0 13 28
12 12 LYS K H H > TS+ 0 0 -66.7 -48.9 175.9 43.6 110.8 23.3 0 0.0 16 -1.4 0 0.0 0 0.0 8 25
13 13 ALA A H H > TS+ 0 0 -58.0 -41.1 -178.9 54.5 112.8 25.2 0 0.0 17 -1.6 0 0.0 0 0.0 10 31
14 14 GLY G H H X TS+ 0 0 -64.2 -35.8 174.3 57.7 101.7 31.9 10 -2.2 18 -2.6 0 0.0 0 0.0 17 38
15 15 GLU E H H X TS+ 0 0 -60.1 -44.6 177.4 52.0 103.6 29.8 11 -1.8 19 -2.5 0 0.0 0 0.0 11 33
16 16 LYS K H H X TS+ 0 0 -57.3 -46.8 179.7 48.2 111.5 25.6 12 -1.4 20 -2.0 0 0.0 0 0.0 8 28
17 17 ILE I H H X TS+ 0 0 -59.9 -50.2 179.4 49.0 111.2 20.5 13 -1.6 21 -2.6 0 0.0 0 0.0 12 39
18 18 PHE F H H X >TS+ 0 0 -55.5 -51.0 -179.1 51.1 110.7 22.9 14 -2.6 22 -2.9 0 0.0 23 -2.2 11 43
19 19 LYS K H H < 5TS+ 0 0 -53.6 -48.3 -176.1 37.1 117.8 26.6 15 -2.5 0 0.0 0 0.0 0 0.0 9 31
20 20 THR T H H < 5TS+ 0 0 -81.5 -30.2 -176.6 24.8 130.4 32.9 16 -2.0 0 0.0 0 0.0 0 0.0 8 25
21 21 LYS K H H < 5TS+ 0 0 -113.4 -13.4 -178.0 20.3 131.7 50.9 17 -2.6 0 0.0 0 0.0 0 0.0 7 37
22 22 CYS C T h X >5TS+ 0 0 -126.8 -29.7 -174.9 81.7 95.1 49.1 18 -2.9 25 -1.5 0 0.0 26 -1.1 9 44
23 23 ALA A T T 4 3 TS- 0 0 -86.6 141.4 173.0 -110.1 79.5 131.7 0 0.0 32 -1.9 0 0.0 0 0.0 10 31
30 30 LYS K T T 3 TS+ 0 0 -62.0 133.4 178.7 21.5 106.6 113.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
31 31 GLY G T T 3 TS+ 0 0 87.5 -5.5 -177.1 111.1 91.3 74.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
32 32 ALA A t < T - 0 0 -77.5 -12.4 179.9 -144.9 66.6 56.1 29 -1.9 0 0.0 0 0.0 0 0.0 8 26
33 33 GLY G - 0 0 76.4 -170.3 -177.0 -56.3 29.7 100.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
34 34 HIS H - 0 0 -105.2 170.3 177.2 -172.0 36.9 118.1 0 0.0 0 0.0 0 0.0 0 0.0 11 31
35 35 LYS K S S S- 0 0 -131.7 -143.1 175.6 -46.5 71.6 108.7 37 -2.7 0 0.0 0 0.0 0 0.0 10 30
36 36 GLN Q S S S+ 0 0 -59.0 -41.2 -179.9 35.5 137.7 24.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
37 37 GLY G S S S- 0 0 -107.6 164.1 -178.5 -83.6 105.1 127.9 25 -2.3 35 -2.7 0 0.0 0 0.0 9 38
38 38 PRO P - 0 0 -70.9 155.8 172.1 -94.7 47.4 106.5 0 0.0 0 0.0 0 0.0 0 0.0 12 43
39 39 ASN N - 0 0 -64.0 133.0 178.2 -149.8 31.6 122.1 0 0.0 0 0.0 0 0.0 0 0.0 14 41
40 40 LEU L t > T + 0 0 -89.7 3.9 179.4 139.6 45.7 73.3 27 -2.8 43 -2.0 0 0.0 0 0.0 10 52
41 41 ASN N T T 3 TS+ 0 0 -55.4 136.8 179.1 7.5 76.8 106.4 0 0.0 0 0.0 0 0.0 0 0.0 11 41
42 42 GLY G T T 3 TS+ 0 0 64.6 22.8 -178.5 146.2 84.5 46.3 110 -3.0 0 0.0 0 0.0 0 0.0 8 37
43 43 LEU L t X T + 0 0 -51.7 -46.1 -170.7 98.3 35.2 33.0 40 -2.0 46 -2.2 0 0.0 0 0.0 9 44
44 44 PHE F T T 3 TS+ 0 0 -63.2 115.1 -179.2 2.6 99.8 111.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
45 45 GLY G T T 3 TS+ 0 0 95.0 -7.8 -179.1 125.6 101.5 73.4 67 -3.9 0 0.0 0 0.0 0 0.0 8 27
46 46 ARG R t < T - 0 0 -86.9 154.0 175.6 -107.8 65.2 120.4 43 -2.2 67 -2.9 0 0.0 0 0.0 10 31
47 47 GLN Q B B A > T - 66 0 -74.2 140.1 177.2 -104.2 42.7 124.8 0 0.0 50 -0.7 0 0.0 0 0.0 9 33
48 48 SER S T T 3 TS+ 0 0 -60.6 150.3 175.1 24.7 99.5 104.3 65 -2.6 0 0.0 0 0.0 0 0.0 11 45
49 49 GLY G T T 3 TS+ 0 0 66.7 32.8 -178.7 105.7 91.6 44.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
50 50 THR T t < T + 0 0 -122.5 0.8 179.1 122.0 32.2 66.3 47 -0.7 0 0.0 0 0.0 0 0.0 7 31
51 51 THR T t > T - 0 0 -68.9 134.0 -179.1 -109.2 68.8 120.7 0 0.0 54 -1.2 0 0.0 0 0.0 7 40
52 52 PRO P T T 3 TS+ 0 0 -65.6 140.5 175.4 16.5 93.7 109.1 0 0.0 0 0.0 0 0.0 0 0.0 4 28
53 53 GLY G T T 3 TS+ 0 0 82.7 1.5 178.2 109.4 94.5 70.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
54 54 TYR Y t < T - 0 0 -109.3 136.5 178.3 -133.4 64.0 155.2 51 -1.2 56 -0.9 0 0.0 0 0.0 8 32
55 55 SER S - 0 0 -91.8 102.7 178.1 -164.6 30.0 142.0 0 0.0 0 0.0 0 0.0 0 0.0 4 28
56 56 TYR Y - 0 0 -84.4 160.0 175.2 -103.6 24.6 112.2 54 -0.9 0 0.0 0 0.0 0 0.0 7 34
57 57 SER S h > T - 0 0 -71.9 159.8 179.7 -113.1 36.1 112.5 0 0.0 61 -1.2 0 0.0 0 0.0 9 30
58 58 THR T H H > TS+ 0 0 -65.0 -38.7 178.6 55.4 117.5 23.4 0 0.0 62 -3.4 0 0.0 0 0.0 8 24
59 59 ALA A H H > TS+ 0 0 -56.1 -51.7 -178.6 51.0 104.4 26.7 0 0.0 63 -2.9 0 0.0 0 0.0 10 27
60 60 ASP D H H > TS+ 0 0 -61.2 -28.3 179.1 42.1 117.3 34.9 0 0.0 64 -0.6 0 0.0 0 0.0 13 38
61 61 LYS K H H < > TS+ 0 0 -81.8 -51.0 -178.3 48.0 115.2 20.3 57 -1.2 64 -0.7 0 0.0 0 0.0 11 30
62 62 ASN N H H < 3 TS+ 0 0 -57.4 -41.2 -178.8 60.8 103.2 38.5 58 -3.4 0 0.0 0 0.0 0 0.0 7 24
63 63 MET M H H < 3 TS- 0 0 -58.2 -37.1 178.8 -168.4 80.0 28.1 59 -2.9 0 0.0 0 0.0 0 0.0 8 28
64 64 ALA A h < < T - 0 0 46.6 49.0 178.6 -178.1 13.3 29.3 61 -0.7 0 0.0 60 -0.6 0 0.0 9 29
65 65 VAL V - 0 0 -74.7 131.3 174.5 -131.1 28.2 125.4 0 0.0 48 -2.6 0 0.0 67 -0.8 7 35
66 66 ILE I B B A - 47 0 -83.5 116.3 -179.3 -132.0 30.2 143.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
67 67 TRP W + 0 0 -74.5 130.2 178.2 131.7 48.6 124.1 46 -2.9 45 -3.9 65 -0.8 0 0.0 13 41
68 68 GLU E S h > TS- 0 0 -160.2 -179.7 -178.2 -73.9 73.0 153.0 0 0.0 72 -2.9 0 0.0 0 0.0 10 36
69 69 GLU E H H > TS+ 0 0 -55.1 -41.8 179.8 49.7 128.2 26.5 0 0.0 73 -2.2 0 0.0 0 0.0 9 47
70 70 ASN N H H > TS+ 0 0 -58.2 -56.0 -178.0 38.3 115.7 21.0 0 0.0 74 -1.6 0 0.0 0 0.0 10 40
71 71 THR T H H > TS+ 0 0 -69.5 -37.3 179.4 53.0 115.6 29.5 0 0.0 75 -2.9 0 0.0 0 0.0 10 43
72 72 LEU L H H X TS+ 0 0 -65.2 -41.3 -178.1 54.2 106.1 29.9 68 -2.9 76 -2.9 0 0.0 0 0.0 10 57
73 73 TYR Y H H X TS+ 0 0 -59.9 -43.3 176.7 40.1 114.5 22.4 69 -2.2 77 -0.7 0 0.0 0 0.0 13 48
74 74 ASP D H H X > TS+ 0 0 -67.9 -48.2 -178.1 52.4 116.1 21.2 70 -1.6 77 -0.8 0 0.0 78 -0.8 11 39
75 75 TYR Y H H < > TS+ 0 0 -54.2 -52.0 -175.0 54.3 104.1 23.5 71 -2.9 78 -1.1 0 0.0 0 0.0 9 50
76 76 LEU L H H < 3 TS+ 0 0 -61.7 -23.6 177.2 69.4 93.9 49.3 72 -2.9 93 -2.3 0 0.0 0 0.0 10 48
77 77 LEU L H H < < TS- 0 0 -60.8 -38.5 179.8 -12.5 130.8 27.7 74 -0.8 0 0.0 73 -0.7 0 0.0 11 38
78 78 ASN N h X X T - 0 0 -166.8 86.3 -178.5 -171.0 64.2 124.0 75 -1.1 82 -1.7 74 -0.8 81 -0.7 12 31
79 79 PRO P H H > 3 TS+ 0 0 -50.5 -45.7 -178.6 53.6 87.6 33.7 0 0.0 83 -2.4 0 0.0 0 0.0 14 35
80 80 LYS K H H 4 3 TS+ 0 0 -64.7 -30.0 176.9 49.2 109.2 37.0 0 0.0 0 0.0 0 0.0 0 0.0 10 28
81 81 LYS K H H 4 < TS+ 0 0 -75.8 -33.7 -178.9 48.0 113.4 31.8 78 -0.7 0 0.0 0 0.0 0 0.0 6 27
82 82 TYR Y H H < TS+ 0 0 -73.3 -42.4 178.0 19.6 129.0 26.3 78 -1.7 0 0.0 0 0.0 0 0.0 8 38
83 83 ILE I S h < > TS- 0 0 -130.0 83.3 178.4 -154.4 83.8 141.4 79 -2.4 86 -2.0 0 0.0 0 0.0 10 36
84 84 PRO P T T 3 TS+ 0 0 -58.2 134.4 -179.9 30.7 83.3 116.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
85 85 GLY G T T 3 TS+ 0 0 93.5 -1.5 176.1 142.3 84.3 69.0 0 0.0 0 0.0 0 0.0 0 0.0 9 26
86 86 THR T t < T - 0 0 -66.8 154.0 178.0 -141.6 49.4 114.0 83 -2.0 0 0.0 0 0.0 0 0.0 11 33
87 87 LYS K + 0 0 -99.9 6.4 178.0 117.7 64.2 69.6 0 0.0 0 0.0 0 0.0 0 0.0 5 33
88 88 MET M - 0 0 -71.8 120.7 177.8 -150.2 56.9 130.7 0 0.0 90 -0.9 0 0.0 0 0.0 7 41
89 89 VAL V + 0 0 -98.5 103.4 -178.9 122.8 48.0 150.3 0 0.0 0 0.0 0 0.0 0 0.0 4 31
90 90 PHE F - 0 0 -163.3 120.2 -176.8 -147.2 52.8 146.8 88 -0.9 0 0.0 0 0.0 0 0.0 6 33
91 91 PRO P - 0 0 -60.8 -38.5 -176.7 -105.6 52.8 36.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
92 92 GLY G - 0 0 126.9 166.5 178.1 -91.0 21.3 125.3 0 0.0 94 -0.6 0 0.0 0 0.0 8 35
93 93 LEU L - 0 0 -115.0 105.7 -172.8 -168.0 35.7 166.7 76 -2.3 0 0.0 0 0.0 0 0.0 9 40
94 94 LYS K + 0 0 -69.0 -43.6 -175.4 82.3 55.9 26.3 92 -0.6 0 0.0 0 0.0 0 0.0 7 31
95 95 LYS K h > T - 0 0 -75.7 134.4 173.6 -142.1 68.0 114.1 0 0.0 99 -2.1 0 0.0 0 0.0 7 31
96 96 PRO P H H > TS+ 0 0 -51.4 -45.2 -178.1 52.4 105.0 27.3 0 0.0 100 -2.4 0 0.0 0 0.0 9 35
97 97 GLN Q H H > TS+ 0 0 -63.2 -41.3 -179.8 51.7 106.5 29.1 0 0.0 101 -2.8 0 0.0 0 0.0 10 38
98 98 GLU E H H > TS+ 0 0 -63.1 -41.8 178.4 46.2 112.5 29.2 0 0.0 102 -2.4 0 0.0 0 0.0 11 44
99 99 ARG R H H X TS+ 0 0 -66.3 -45.4 178.5 49.8 112.7 21.8 95 -2.1 103 -2.8 0 0.0 0 0.0 13 51
100 100 ALA A H H X TS+ 0 0 -59.5 -45.5 177.2 46.1 113.2 24.0 96 -2.4 104 -2.3 0 0.0 0 0.0 16 44
101 101 ASP D H H X TS+ 0 0 -63.7 -50.5 179.8 48.6 113.6 19.7 97 -2.8 105 -2.1 0 0.0 0 0.0 17 43
102 102 LEU L H H X TS+ 0 0 -56.4 -49.6 -179.1 49.1 112.1 25.1 98 -2.4 106 -2.8 0 0.0 0 0.0 15 53
103 103 ILE I H H X TS+ 0 0 -59.7 -43.3 175.9 54.4 107.9 26.1 99 -2.8 107 -2.3 0 0.0 0 0.0 14 56
104 104 SER S H H X TS+ 0 0 -55.8 -42.2 179.0 45.3 111.6 28.3 100 -2.3 108 -1.1 0 0.0 0 0.0 12 44
105 105 TYR Y H H X > TS+ 0 0 -67.4 -46.8 -177.1 53.0 110.1 23.2 101 -2.1 109 -3.3 0 0.0 108 -0.5 15 45
106 106 LEU L H H X 3 TS+ 0 0 -57.1 -41.3 179.3 58.4 103.3 29.2 102 -2.8 110 -2.6 0 0.0 0 0.0 11 51
107 107 LYS K H H < 3 TS+ 0 0 -54.0 -45.7 -178.7 34.3 116.4 22.7 103 -2.3 0 0.0 0 0.0 0 0.0 9 40
108 108 GLU E H H < X TS+ 0 0 -74.2 -57.7 -175.8 47.5 120.4 14.3 104 -1.1 111 -1.2 105 -0.5 0 0.0 8 33
109 109 ALA A H H < 3 TS+ 0 0 -57.0 -38.2 -174.4 47.1 111.6 42.1 105 -3.3 0 0.0 0 0.0 0 0.0 9 38
110 110 THR T T h < 3 T 0 0 -89.4 -2.2 178.9 999.9 999.9 67.7 106 -2.6 42 -3.0 0 0.0 0 0.0 12 39
111 111 SER S t < T 0 0 -65.3 999.9 999.9 999.9 999.9 26.7 108 -1.2 0 0.0 0 0.0 0 0.0 7 26
1ccr-.pdb
1CCR ELECTRON TRANSPORT(CYTOCHROME) CYTOCHROME $C RICE EMBRYOS (ORYZA $SATIVA L)
author author
Kabs/Sand GGGS HHHHHHHHHHHTTTT STT SSS TT TT BTT TT HHHHHH B SHHHHHHHHH HHHHSTT HHHHH Kabs/Sand
chirality -+++-----+++++++++++++++--+-++----+---++++++--+++-++----+++++----+-++++++++--++++-++-+-+----+-+++++ chirality
bends SSSS SSSSSSSSSSSSSSS SSS SSS SS SS SS SS SSSSSS SSSSSSSSSS SSSSSSS SSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33X33<>33<>33< >33< >>333< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >444< >>>>XXXXX<<>>><<<< >>>>XXX<<44<< >>>>XX 4-turns
summary gGGGg hHHHHHHHHHHHhTTTt tTTt SSS tTTtTTtBTTttTTt hHHHHHHh B hHHHHHHHHHhHHHHhTTt hHHHHH summary
sequence ASFSEAPPGNPKAGEKIFKTKCAQCHTVDKGAGHKQGPNLNGLFGRQSGTTPGYSYSTADKNMAVIWEENTLYDYLLNPKKYIPGTKMVFPGLKKPQERA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHT Kabs/Sand
chirality +++++++++ chirality
bends SSSSSSSSS bends
turns TTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXX<<<< 4-turns
summary HHHHHHHHHht summary
sequence DLISYLKEATS sequence
110