Secondary structure calculation program - copyright by David Keith Smith, 1989
1hd0A.pdb
1HD0 RNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 75
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 98 LYS K 0 0 999.9 103.7 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 9 37
2 A 99 MET M E E AA - 46 0 -111.6 139.9 -179.4 -131.8 999.9 153.0 46 -3.1 46 -3.0 0 0.0 0 0.0 12 48
3 A 100 PHE F E E AA - 45 0 -91.0 142.4 179.9 -159.6 14.1 133.4 0 0.0 73 -2.4 0 0.0 5 -0.5 12 43
4 A 101 ILE I E E AAB - 44 72 -124.2 102.7 179.8 -179.3 10.4 150.7 44 -2.0 44 -1.6 0 0.0 6 -0.5 14 57
5 A 102 GLY G E E AAB + 43 71 -102.2 129.0 -179.9 58.2 60.0 148.8 71 -1.4 71 -6.6 3 -0.5 0 0.0 11 48
6 A 103 GLY G e + 0 0 133.8 5.6 -180.0 151.5 62.9 66.3 42 -1.6 0 0.0 4 -0.5 0 0.0 10 43
7 A 104 LEU L - 0 0 -62.6 155.3 -180.0 -117.6 43.6 103.5 42 -0.8 0 0.0 0 0.0 0 0.0 18 47
8 A 105 SER S t > T - 0 0 -88.7 173.6 179.9 -101.8 26.9 111.4 0 0.0 11 -1.5 0 0.0 0 0.0 11 37
9 A 106 TRP W T T 3 TS+ 0 0 -68.3 -18.4 -179.8 45.7 125.6 42.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
10 A 107 ASP D T T 3 TS+ 0 0 -109.8 22.1 -179.9 129.4 85.1 83.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
11 A 108 THR T t < T - 0 0 -75.3 151.7 179.9 -166.6 37.3 115.5 8 -1.5 0 0.0 0 0.0 0 0.0 12 40
12 A 109 THR T h > T - 0 0 -139.4 149.4 -180.0 -111.6 37.8 170.9 0 0.0 16 -2.2 0 0.0 0 0.0 8 38
13 A 110 LYS K H H > TS+ 0 0 -53.3 -12.3 179.9 57.8 118.4 45.7 0 0.0 17 -0.9 0 0.0 0 0.0 10 41
14 A 111 LYS K H H > TS+ 0 0 -83.6 -61.8 179.8 39.0 107.0 16.5 0 0.0 18 -2.7 0 0.0 0 0.0 7 33
15 A 112 ASP D H H > TS+ 0 0 -55.0 -44.9 179.9 42.4 124.5 21.0 0 0.0 19 -2.7 0 0.0 0 0.0 10 38
16 A 113 LEU L H H X TS+ 0 0 -68.3 -50.2 179.9 53.6 111.3 15.0 12 -2.2 20 -2.1 0 0.0 0 0.0 14 52
17 A 114 LYS K H H X TS+ 0 0 -51.3 -43.7 180.0 38.9 117.5 23.0 13 -0.9 21 -0.6 0 0.0 0 0.0 13 47
18 A 115 ASP D H H X > TS+ 0 0 -73.5 -57.5 179.2 58.9 107.3 10.2 14 -2.7 21 -2.4 0 0.0 22 -0.8 8 35
19 A 116 TYR Y H H < 3 TS+ 0 0 -39.1 -33.8 179.5 39.9 117.0 29.4 15 -2.7 0 0.0 0 0.0 0 0.0 8 48
20 A 117 PHE F H H X > TS+ 0 0 -90.9 -15.9 178.9 84.4 92.3 48.6 16 -2.1 23 -2.7 0 0.0 24 -1.1 11 57
21 A 118 SER S H H < < TS+ 0 0 -61.6 -5.5 179.7 68.5 82.0 50.9 18 -2.4 0 0.0 17 -0.6 0 0.0 9 37
22 A 119 LYS K T h < 3 TS+ 0 0 -87.9 -13.0 179.7 51.5 96.0 51.0 18 -0.8 0 0.0 0 0.0 0 0.0 6 33
23 A 120 PHE F T T 4 < TS- 0 0 -89.6 -41.6 179.9 -55.9 126.3 29.6 20 -2.7 0 0.0 0 0.0 0 0.0 9 38
24 A 121 GLY G S t < TS- 0 0 -175.6 -166.6 179.9 -46.6 76.0 161.4 20 -1.1 26 -0.8 0 0.0 0 0.0 12 30
25 A 122 GLU E e - 0 0 -88.2 111.9 179.9 -155.3 53.3 137.5 0 0.0 49 -1.4 0 0.0 0 0.0 9 28
26 A 123 VAL V E E AC - 48 0 -89.4 130.5 178.2 -171.4 15.8 136.0 24 -0.8 0 0.0 0 0.0 0 0.0 12 37
27 A 124 VAL V E E A* S+ 0 0 -90.1 -18.1 -179.6 17.6 75.0 47.6 47 -1.8 0 0.0 0 0.0 0 0.0 7 30
28 A 125 ASP D E E AC + 47 0 -149.8 162.0 179.9 169.0 58.9 169.3 47 -1.6 47 -2.5 0 0.0 0 0.0 9 35
29 A 126 CYS C E E AC - 46 0 -169.3 149.0 -179.2 -178.2 6.2 162.2 0 0.0 0 0.0 0 0.0 0 0.0 13 45
30 A 127 THR T E E AC - 45 0 -150.6 165.0 179.4 -135.2 19.9 167.3 45 -3.0 45 -0.6 0 0.0 0 0.0 11 43
31 A 128 LEU L - 0 0 -129.0 116.9 179.6 -155.4 6.9 162.2 0 0.0 33 -1.6 0 0.0 0 0.0 13 45
32 A 129 LYS K + 0 0 -89.0 77.1 179.9 113.2 58.2 123.3 0 0.0 43 -1.1 0 0.0 0 0.0 11 40
33 A 130 LEU L - 0 0 -136.1 37.3 179.9 -176.5 40.8 94.5 31 -1.6 0 0.0 0 0.0 0 0.0 15 34
34 A 131 ASP D B B A >T + 39 0 -39.3 78.9 -179.5 167.8 13.9 91.1 39 -0.7 39 -3.8 0 0.0 40 -0.6 9 24
35 A 132 PRO P T T 5T + 0 0 -81.9 4.7 179.7 68.5 62.8 67.9 0 0.0 0 0.0 0 0.0 0 0.0 8 21
36 A 133 ILE I T T 5TS+ 0 0 -89.6 -49.0 179.2 30.1 108.4 24.9 0 0.0 0 0.0 0 0.0 0 0.0 6 15
37 A 134 THR T T T 5TS- 0 0 -90.0 8.0 -179.2 -98.7 123.1 69.6 0 0.0 0 0.0 0 0.0 0 0.0 5 11
38 A 135 GLY G T T 5TS+ 0 0 79.7 34.9 -179.6 120.3 93.2 30.3 0 0.0 0 0.0 0 0.0 0 0.0 6 15
39 A 136 ARG R B B A TS- 0 0 -134.3 148.7 -179.9 -120.3 76.8 166.9 0 0.0 54 -1.6 0 0.0 0 0.0 8 26
51 A 148 SER S H H > > TS+ 0 0 -50.2 -56.1 -179.9 60.3 111.8 16.7 0 0.0 55 -2.8 0 0.0 54 -0.9 7 28
52 A 149 GLU E H H > 3 TS+ 0 0 -39.8 -47.8 179.8 52.3 103.7 26.0 0 0.0 56 -2.1 0 0.0 0 0.0 7 25
53 A 150 SER S H H > 3 TS+ 0 0 -58.2 -42.1 179.9 43.1 113.8 22.3 0 0.0 57 -1.9 0 0.0 0 0.0 12 35
54 A 151 VAL V H H X < TS+ 0 0 -69.5 -52.9 180.0 53.6 110.1 13.2 50 -1.6 58 -2.0 51 -0.9 0 0.0 13 39
55 A 152 ASP D H H X TS+ 0 0 -50.6 -35.3 179.9 53.1 109.2 29.1 51 -2.8 59 -2.1 0 0.0 0 0.0 8 32
56 A 153 LYS K H H X TS+ 0 0 -66.3 -56.7 179.9 45.6 108.2 9.4 52 -2.1 60 -1.0 0 0.0 0 0.0 9 32
57 A 154 VAL V H H < TS+ 0 0 -58.5 -21.7 179.9 50.6 116.1 38.8 53 -1.9 0 0.0 0 0.0 0 0.0 11 44
58 A 155 MET M H H < > TS+ 0 0 -85.4 -33.7 179.9 70.5 93.3 33.1 54 -2.0 61 -0.6 0 0.0 0 0.0 9 36
59 A 156 ASP D H H < 3 TS+ 0 0 -52.0 -32.5 -180.0 28.9 114.0 30.8 55 -2.1 0 0.0 0 0.0 0 0.0 6 23
60 A 157 GLN Q T h < 3 T + 0 0 -132.0 87.4 180.0 171.7 63.7 137.0 56 -1.0 0 0.0 0 0.0 0 0.0 7 26
61 A 158 LYS K t < T + 0 0 -81.8 24.5 177.4 115.1 47.7 78.6 58 -0.6 63 -1.9 0 0.0 0 0.0 9 32
62 A 159 GLU E + 0 0 -87.8 58.9 -177.4 154.8 47.6 112.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
63 A 160 HIS H + 0 0 -87.3 157.2 179.8 179.5 26.8 120.9 61 -1.9 0 0.0 0 0.0 0 0.0 8 40
64 A 161 LYS K + 0 0 -157.2 72.9 -179.8 160.7 14.0 114.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
65 A 162 LEU L B B B > TS+ 68 0 -96.7 155.5 -179.7 15.9 70.1 130.5 68 -1.1 68 -1.7 0 0.0 0 0.0 11 39
66 A 163 ASN N T T 3 TS- 0 0 60.5 10.7 -180.0 -61.4 137.9 47.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
67 A 164 GLY G T T 3 TS+ 0 0 87.2 24.5 -180.0 88.5 121.7 41.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22
68 A 165 LYS K B B B < TS- 65 0 -150.4 156.6 179.6 -113.2 74.3 173.7 65 -1.7 65 -1.1 0 0.0 0 0.0 10 30
69 A 166 VAL V - 0 0 -82.4 176.1 -179.9 -142.1 29.4 105.2 0 0.0 0 0.0 0 0.0 0 0.0 10 33
70 A 167 ILE I - 0 0 -142.2 147.5 179.3 -121.2 16.0 175.3 0 0.0 0 0.0 0 0.0 0 0.0 14 46
71 A 168 ASP D E E AB - 5 0 -90.0 90.6 -179.2 -158.8 33.9 133.1 5 -6.6 5 -1.4 0 0.0 0 0.0 9 37
72 A 169 PRO P E E AB + 4 0 -71.4 125.3 179.9 142.6 29.1 121.7 0 0.0 0 0.0 0 0.0 0 0.0 12 44
73 A 170 LYS K e - 0 0 -143.4 -162.5 179.6 -65.3 65.9 133.7 3 -2.4 75 -0.9 0 0.0 0 0.0 8 33
74 A 171 ARG R 0 0 -90.1 49.5 178.8 999.9 999.9 102.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
75 A 172 ALA A 0 0 -3.2 999.9 999.9 999.9 999.9 54.9 73 -0.9 0 0.0 0 0.0 0 0.0 10 37
1hd0A.pdb
1HD0 RNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEE TT HHHHHHHHHTTS EEEEE BTTTTB SEEEEEESSHHHHHHHHHT BTTB EE Kabs/Sand
chirality ---++--++--++++++++++----++---+-+++-+++-++-----+-+++++++++++++++-+----+- chirality
bends SS SSSSSSSSSSSS S SSS S SSSSSSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >3><3< >33< >33< >33< 3-turns
bridge-2 BB CCCC bridge-2
bridge-1 AAAA C*CCC A A AAAA B B BB bridge-1
sheets AAAA AAAAA AAAAAA AA sheets
4-turns >>>>XXX>>>XXX<<<< 4-turns
summary EEEEe tTTthHHHHHHHHHhTteEEEEE BTTTTB eEEEEEEehHHHHHHHHHht BTTB EEe summary
sequence KMFIGGLSWDTTKKDLKDYFSKFGEVVDCTLKLDPITGRSRGFGFVLFKESESVDKVMDQKEHKLNGKVIDPKRA sequence
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