Secondary structure calculation program - copyright by David Keith Smith, 1989
1c2n-.pdb
1C2N ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 116
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 GLY G 0 0 999.9 166.5 -177.7 999.9 999.9 999.9 0 0.0 3 -1.9 0 0.0 0 0.0 8 30
2 2 ASP D h > T - 0 0 -75.0 85.1 178.5 -177.1 999.9 118.5 0 0.0 6 -2.8 0 0.0 0 0.0 10 25
3 3 ALA A H H > TS+ 0 0 -51.3 -35.9 178.9 57.0 81.0 36.6 1 -1.9 7 -2.7 0 0.0 0 0.0 13 31
4 4 ALA A H H > TS+ 0 0 -64.3 -51.0 175.1 43.3 109.3 15.7 0 0.0 8 -2.3 0 0.0 0 0.0 8 22
5 5 LYS K H H > TS+ 0 0 -57.8 -41.5 177.4 56.1 112.5 20.1 0 0.0 9 -3.3 0 0.0 0 0.0 9 26
6 6 GLY G H H X TS+ 0 0 -54.8 -48.1 178.0 49.6 106.2 23.1 2 -2.8 10 -2.3 0 0.0 0 0.0 16 41
7 7 GLU E H H < TS+ 0 0 -57.1 -50.4 179.6 43.8 114.5 21.6 3 -2.7 0 0.0 0 0.0 0 0.0 10 39
8 8 LYS K H H < > TS+ 0 0 -59.4 -51.0 179.6 51.4 112.9 15.1 4 -2.3 11 -2.4 0 0.0 0 0.0 7 32
9 9 GLU E H H X > TS+ 0 0 -56.1 -31.5 177.1 78.1 91.7 34.9 5 -3.3 12 -2.7 0 0.0 13 -0.8 10 38
10 10 PHE F H H X 3 TS+ 0 0 -54.9 -19.7 173.7 84.0 70.5 46.1 6 -2.3 14 -3.0 0 0.0 0 0.0 9 50
11 11 ASN N H H 4 < TS+ 0 0 -51.0 -34.4 176.7 41.0 97.3 30.5 8 -2.4 0 0.0 0 0.0 0 0.0 8 35
12 12 LYS K H H 4 X TS+ 0 0 -77.7 -49.2 -179.0 55.0 111.4 16.9 9 -2.7 15 -2.4 0 0.0 0 0.0 6 39
13 13 CYS C H H X > TS+ 0 0 -48.3 -49.1 -175.7 59.3 101.5 26.8 9 -0.8 17 -2.6 0 0.0 16 -2.0 9 53
14 14 LYS K T h < 3 TS+ 0 0 -63.8 -11.5 176.2 86.0 79.5 55.9 10 -3.0 31 -2.6 0 0.0 0 0.0 12 40
15 15 THR T T T 4 < TS+ 0 0 -56.6 -33.6 175.6 4.8 120.2 33.0 12 -2.4 0 0.0 0 0.0 0 0.0 9 29
16 16 CYS C T T 4 < TS+ 0 0 -114.0 -39.6 -173.1 50.4 134.5 51.9 13 -2.0 34 -2.5 0 0.0 33 -1.6 10 33
17 17 HIS H t < T - 0 0 -95.5 -172.4 175.7 -165.2 56.4 106.3 13 -2.6 31 -0.8 0 0.0 0 0.0 14 45
18 18 SER S - 0 0 -160.0 172.8 175.6 -126.3 19.0 154.9 0 0.0 37 -1.9 0 0.0 38 -0.6 17 42
19 19 ILE I B B A - 28 0 -132.7 132.4 -173.3 -159.0 25.2 169.2 28 -0.8 28 -2.2 0 0.0 0 0.0 12 49
20 20 ILE I - 0 0 -116.3 143.9 173.9 -120.4 17.0 149.5 0 0.0 0 0.0 0 0.0 0 0.0 11 39
21 21 ALA A t > T - 0 0 -75.4 159.1 176.2 -107.1 34.9 124.9 25 -2.7 24 -2.4 0 0.0 0 0.0 9 24
22 22 PRO P T T 3 TS+ 0 0 -50.3 -42.4 -180.0 51.5 123.9 30.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
23 23 ASP D T T 3 TS- 0 0 -73.0 -11.9 179.5 -101.2 126.9 61.7 0 0.0 0 0.0 0 0.0 0 0.0 4 14
24 24 GLY G S t < TS+ 0 0 108.9 -14.3 179.9 148.1 70.7 79.5 21 -2.4 0 0.0 0 0.0 0 0.0 6 22
25 25 THR T - 0 0 -57.8 125.6 -179.3 -122.2 54.7 110.3 0 0.0 21 -2.7 0 0.0 27 -1.8 7 18
26 26 GLU E + 0 0 -72.2 82.2 178.6 171.1 39.7 120.9 0 0.0 0 0.0 0 0.0 0 0.0 9 23
27 27 ILE I S S S+ 0 0 -57.7 -61.3 177.4 40.4 76.0 11.4 25 -1.8 29 -1.1 0 0.0 0 0.0 8 31
28 28 VAL V B B A S- 19 0 -93.4 98.3 179.0 -157.3 81.1 143.6 19 -2.2 30 -2.3 0 0.0 19 -0.8 8 38
29 29 LYS K + 0 0 -73.8 67.8 178.7 133.3 46.0 123.4 27 -1.1 0 0.0 0 0.0 0 0.0 8 28
30 30 GLY G - 0 0 -100.2 -163.0 176.3 -69.9 60.9 103.6 28 -2.3 0 0.0 0 0.0 0 0.0 10 29
31 31 ALA A - 0 0 -83.5 176.4 176.8 -141.4 26.3 105.1 14 -2.6 0 0.0 17 -0.8 0 0.0 10 28
32 32 LYS K + 0 0 -130.5 33.1 177.6 114.2 68.2 98.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
33 33 THR T S S S+ 0 0 -71.1 -35.9 174.1 36.0 84.1 37.5 16 -1.6 0 0.0 0 0.0 0 0.0 7 30
34 34 GLY G S S S- 0 0 -111.9 161.9 179.9 -75.4 113.9 144.6 16 -2.5 0 0.0 0 0.0 0 0.0 10 47
35 35 PRO P - 0 0 -59.4 125.5 178.3 -99.2 58.5 109.7 0 0.0 0 0.0 0 0.0 0 0.0 9 46
36 36 ASN N - 0 0 -49.2 114.9 -168.1 -145.7 35.9 107.7 0 0.0 0 0.0 0 0.0 0 0.0 10 52
37 37 LEU L t > T + 0 0 -72.2 -16.4 178.0 118.1 59.9 55.3 18 -1.9 40 -2.7 0 0.0 0 0.0 9 65
38 38 TYR Y T T 3 TS+ 0 0 -53.0 120.4 179.4 12.5 90.4 114.5 18 -0.6 0 0.0 0 0.0 0 0.0 11 54
39 39 GLY G T T 3 TS+ 0 0 85.6 12.3 174.9 127.7 85.3 56.3 0 0.0 0 0.0 0 0.0 0 0.0 10 41
40 40 VAL V t X T + 0 0 -61.4 -42.3 -177.8 97.8 46.9 25.1 37 -2.7 43 -2.2 0 0.0 0 0.0 9 51
41 41 VAL V T T 3 TS+ 0 0 -53.7 118.1 179.9 1.8 102.0 107.3 0 0.0 0 0.0 0 0.0 0 0.0 13 44
42 42 GLY G T T 3 TS+ 0 0 87.8 -15.0 -178.7 132.0 100.7 81.2 67 -3.0 0 0.0 0 0.0 0 0.0 8 33
43 43 ARG R S t < TS- 0 0 -70.7 148.7 176.6 -112.4 71.9 113.5 40 -2.2 67 -2.8 0 0.0 45 -2.6 9 36
44 44 THR T - 0 0 -76.1 59.5 -179.6 -122.5 50.8 111.9 0 0.0 0 0.0 0 0.0 0 0.0 11 36
45 45 ALA A S S S+ 0 0 36.6 -123.5 -178.3 41.9 92.0 89.9 43 -2.6 47 -2.4 0 0.0 0 0.0 13 54
46 46 GLY G S S S+ 0 0 -51.7 73.2 177.8 82.3 94.7 107.5 57 -0.8 0 0.0 0 0.0 0 0.0 11 49
47 47 THR T + 0 0 -160.2 9.1 176.4 134.9 46.3 77.7 45 -2.4 0 0.0 0 0.0 0 0.0 8 33
48 48 TYR Y - 0 0 -64.2 134.5 -178.1 -106.1 62.6 121.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38
49 49 PRO P S S S+ 0 0 -64.3 157.2 177.6 17.8 94.1 105.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
50 50 GLU E S S S+ 0 0 47.7 58.5 176.0 117.4 93.5 27.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
51 51 PHE F - 0 0 -154.8 120.0 -179.0 -132.6 64.1 156.2 0 0.0 53 -2.0 0 0.0 0 0.0 7 30
52 52 LYS K + 0 0 -73.1 77.3 173.3 171.5 40.7 118.7 0 0.0 0 0.0 0 0.0 0 0.0 4 26
53 53 TYR Y - 0 0 -69.8 -176.9 174.2 -112.1 28.2 95.9 51 -2.0 0 0.0 0 0.0 0 0.0 8 34
54 54 LYS K h > T - 0 0 -113.2 173.7 -178.2 -101.0 27.1 137.5 0 0.0 58 -2.0 0 0.0 0 0.0 9 34
55 55 ASP D H H > TS+ 0 0 -61.2 -41.6 -175.4 54.2 115.4 34.3 0 0.0 59 -2.9 0 0.0 0 0.0 7 30
56 56 SER S H H > TS+ 0 0 -60.2 -64.9 -176.5 39.8 111.0 15.4 0 0.0 60 -2.8 0 0.0 0 0.0 12 35
57 57 ILE I H H > TS+ 0 0 -58.9 -38.8 175.6 50.8 118.1 25.2 0 0.0 61 -2.4 0 0.0 46 -0.8 14 50
58 58 VAL V H H X TS+ 0 0 -63.5 -49.3 179.5 48.1 111.0 17.2 54 -2.0 62 -3.1 0 0.0 0 0.0 12 41
59 59 ALA A H H X TS+ 0 0 -59.6 -42.2 178.0 53.9 109.0 26.0 55 -2.9 63 -2.2 0 0.0 0 0.0 10 35
60 60 LEU L H H < >TS+ 0 0 -56.0 -52.6 176.6 44.4 111.9 14.7 56 -2.8 65 -0.9 0 0.0 0 0.0 14 41
61 61 GLY G H H X >5TS+ 0 0 -53.4 -54.6 179.8 53.4 111.4 15.6 57 -2.4 64 -2.5 0 0.0 65 -1.4 13 40
62 62 ALA A H H < 35TS+ 0 0 -54.0 -30.7 177.3 67.6 96.5 38.7 58 -3.1 0 0.0 0 0.0 0 0.0 9 26
63 63 SER S T h < 35TS- 0 0 -71.1 2.1 179.3 -92.6 130.6 66.8 59 -2.2 0 0.0 0 0.0 0 0.0 6 25
64 64 GLY G T T 4 <5TS+ 0 0 89.9 34.1 180.0 155.9 74.3 39.1 61 -2.5 66 -0.6 0 0.0 0 0.0 7 23
65 65 PHE F t < T - 0 0 -78.8 167.5 174.7 -106.6 42.1 119.1 66 -1.2 72 -3.1 0 0.0 0 0.0 8 38
69 69 GLU E H H > TS+ 0 0 -56.0 -43.6 -179.2 49.8 124.9 23.2 0 0.0 73 -2.9 0 0.0 0 0.0 11 39
70 70 GLU E H H > TS+ 0 0 -61.6 -51.8 179.4 46.4 111.4 21.4 0 0.0 74 -2.5 0 0.0 0 0.0 9 35
71 71 ASP D H H > TS+ 0 0 -59.4 -49.4 179.1 48.1 114.1 21.7 0 0.0 75 -3.3 0 0.0 0 0.0 8 46
72 72 ILE I H H X TS+ 0 0 -55.0 -52.9 -178.9 49.2 112.4 18.6 68 -3.1 76 -1.7 0 0.0 0 0.0 12 57
73 73 ALA A H H < TS+ 0 0 -55.8 -42.0 178.5 43.5 115.9 29.1 69 -2.9 0 0.0 0 0.0 0 0.0 14 46
74 74 THR T H H X > TS+ 0 0 -67.3 -51.5 -175.8 62.1 106.2 16.6 70 -2.5 77 -1.8 0 0.0 78 -0.9 10 38
75 75 TYR Y H H < > TS+ 0 0 -43.6 -56.4 -178.9 55.6 97.2 31.1 71 -3.3 78 -1.7 0 0.0 0 0.0 10 50
76 76 VAL V T h < 3 TS+ 0 0 -52.4 -30.2 179.3 54.8 105.1 41.9 72 -1.7 100 -2.4 0 0.0 0 0.0 13 51
77 77 LYS K T T 4 < TS+ 0 0 -73.1 -28.7 -175.8 10.8 130.1 37.8 74 -1.8 0 0.0 0 0.0 0 0.0 11 33
78 78 ASP D S t X < TS+ 0 0 -151.9 62.6 175.9 174.5 77.8 113.9 75 -1.7 82 -2.5 74 -0.9 0 0.0 11 31
79 79 PRO P T T 4 TS+ 0 0 -70.8 159.1 -174.1 21.7 73.9 105.5 0 0.0 81 -2.4 0 0.0 0 0.0 12 42
80 80 GLY G T h > > TS+ 0 0 78.5 -63.8 175.5 62.0 120.9 119.7 0 0.0 84 -2.8 0 0.0 83 -0.5 10 42
81 81 ALA A H H > 3 TS+ 0 0 -52.9 -44.5 174.9 55.3 99.8 25.1 79 -2.4 85 -3.1 0 0.0 0 0.0 8 33
82 82 PHE F H H X 3 TS+ 0 0 -52.4 -48.3 -178.7 43.8 111.6 26.9 78 -2.5 86 -2.5 0 0.0 0 0.0 9 44
83 83 LEU L H H > < TS+ 0 0 -61.6 -59.3 -179.6 50.6 112.5 12.7 80 -0.5 87 -3.2 0 0.0 0 0.0 16 45
84 84 LYS K H H X >TS+ 0 0 -45.3 -48.4 177.9 45.2 115.7 26.6 80 -2.8 89 -2.3 92 -0.5 88 -0.6 13 32
85 85 GLU E H H < >5TS+ 0 0 -60.4 -70.5 -171.4 36.7 118.5 9.5 81 -3.1 88 -1.4 0 0.0 0 0.0 8 27
86 86 LYS K H H < 35TS+ 0 0 -63.1 -31.5 177.3 44.8 122.4 35.0 82 -2.5 0 0.0 0 0.0 0 0.0 8 36
87 87 LEU L H H < 35TS- 0 0 -84.5 -7.4 -175.4 -133.1 103.4 56.7 83 -3.2 0 0.0 0 0.0 0 0.0 10 33
88 88 ASP D T h < <5T + 0 0 48.2 54.4 -175.4 130.1 63.5 15.6 85 -1.4 0 0.0 84 -0.6 0 0.0 7 24
89 89 ASP D t > TS+ 0 0 79.5 -55.1 -178.9 97.4 81.3 106.2 0 0.0 107 -3.1 0 0.0 106 -0.6 10 39
104 104 GLY G H H > 3 TS+ 0 0 -30.1 -57.1 179.9 50.3 81.8 39.9 102 -2.3 108 -2.9 0 0.0 0 0.0 15 47
105 105 GLU E H H > 3 TS+ 0 0 -52.7 -58.2 -178.8 35.0 118.7 20.0 0 0.0 109 -1.7 0 0.0 0 0.0 14 38
106 106 ASP D H H > < TS+ 0 0 -68.9 -40.5 178.2 53.3 117.9 23.6 103 -0.6 110 -2.6 0 0.0 0 0.0 14 38
107 107 VAL V H H X TS+ 0 0 -62.0 -41.1 177.8 53.7 106.1 26.3 103 -3.1 111 -3.1 0 0.0 0 0.0 17 51
108 108 ALA A H H X TS+ 0 0 -59.0 -46.6 176.7 47.3 110.0 17.3 104 -2.9 112 -2.9 0 0.0 0 0.0 16 52
109 109 ALA A H H X TS+ 0 0 -60.2 -43.8 176.9 51.6 111.4 23.9 105 -1.7 113 -2.5 0 0.0 0 0.0 13 41
110 110 TYR Y H H X TS+ 0 0 -57.9 -49.2 178.1 47.5 110.7 15.5 106 -2.6 114 -2.6 0 0.0 0 0.0 14 46
111 111 LEU L H H X TS+ 0 0 -57.9 -45.5 177.1 51.3 111.2 21.4 107 -3.1 115 -2.1 0 0.0 0 0.0 14 54
112 112 ALA A H H < TS+ 0 0 -58.9 -38.7 177.2 44.7 113.9 28.3 108 -2.9 0 0.0 0 0.0 0 0.0 10 40
113 113 SER S H H < TS+ 0 0 -70.2 -39.6 -176.2 53.3 112.2 33.2 109 -2.5 0 0.0 0 0.0 0 0.0 8 35
114 114 VAL V H H < TS+ 0 0 -67.9 -38.9 -179.5 92.8 80.1 40.6 110 -2.6 116 -2.1 0 0.0 0 0.0 8 41
115 115 VAL V h < T 0 0 -64.6 82.7 -178.9 999.9 999.9 118.8 111 -2.1 0 0.0 0 0.0 0 0.0 8 35
116 116 LYS K 0 0 -141.3 999.9 999.9 999.9 999.9 77.1 114 -2.1 0 0.0 0 0.0 0 0.0 4 23
1c2n-.pdb
1C2N ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHTTT B TTS SB SS TT TTS SS SS HHHHHHHHTT HHHHHHHTTSTTHHHHHHHT S S Kabs/Sand
chirality -++++++++++++++-----+-+-++-+--++---++++++--+++-++-+--++++++++-+----++++++++++++++++++-+-+++--+++--- chirality
bends SSSSSSSSSSSSSS SSS SS SS SS SSS SS SS SSSSSSSSSS SSSSSSSSSSSSSSSSSSS S S bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>33<< >33< >33X33< >33< >>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>X<>>>XX>>>X>X>X<<<< 4-turns
summary hHHHHHHHHHHHhTTt B tTTt SB SS tTTtTTt SS SS hHHHHHHHHhTt hHHHHHHHhTtThHHHHHHHhtS S summary
sequence GDAAKGEKEFNKCKTCHSIIAPDGTEIVKGAKTGPNLYGVVGRTAGTYPEFKYKDSIVALGASGFAWTEEDIATYVKDPGAFLKEKLDDKKAKTGMAFKL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSSHHHHHHHHHHH Kabs/Sand
chirality ++++++++++++++ chirality
bends SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< 4-turns
summary SShHHHHHHHHHHHh summary
sequence AKGGEDVAAYLASVVK sequence
110