Secondary structure calculation program - copyright by David Keith Smith, 1989
1ckv-.pdb
1CKV HYDROXYLASE REGULATORY PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 141
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 MET M 0 0 999.9 -66.6 179.9 999.9 999.9 999.9 0 0.0 3 -1.3 0 0.0 0 0.0 2 4
2 2 SER S + 0 0 -92.5 79.6 180.0 166.3 999.9 129.6 0 0.0 4 -0.9 0 0.0 0 0.0 3 5
3 3 VAL V - 0 0 -99.5 97.9 179.9 -161.2 18.4 143.5 1 -1.3 0 0.0 0 0.0 0 0.0 4 7
4 4 ASN N - 0 0 -78.3 145.4 -179.9 -172.3 7.5 120.2 2 -0.9 0 0.0 0 0.0 0 0.0 4 7
5 5 SER S + 0 0 -144.3 123.2 179.8 175.5 12.7 164.2 0 0.0 0 0.0 0 0.0 0 0.0 4 11
6 6 ASN N - 0 0 -131.0 95.1 -179.8 -57.7 59.8 147.0 0 0.0 0 0.0 0 0.0 0 0.0 4 10
7 7 ALA A - 0 0 62.4 -174.7 180.0 -115.3 49.6 90.0 0 0.0 0 0.0 0 0.0 0 0.0 5 14
8 8 TYR Y t > > T + 0 0 -146.1 21.5 179.8 128.6 66.9 83.8 0 0.0 11 -3.6 0 0.0 12 -2.7 6 15
9 9 ASP D T T 4 3 TS+ 0 0 -53.4 -20.8 179.2 65.9 73.3 43.2 0 0.0 0 0.0 0 0.0 0 0.0 6 13
10 10 ALA A T T 4 3 TS+ 0 0 -75.5 -15.9 -179.4 17.3 120.9 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 13
11 11 GLY G T T > X TS+ 0 0 -133.0 -9.2 -179.7 93.7 97.3 63.3 8 -3.6 15 -4.2 0 0.0 14 -2.4 7 14
12 12 ILE I T T < 3>TS+ 0 0 -60.4 -19.2 178.3 65.1 82.1 42.3 8 -2.7 17 -0.6 0 0.0 0 0.0 10 15
13 13 MET M T T 4 35TS+ 0 0 -83.9 9.6 -179.9 14.9 123.1 72.6 0 0.0 0 0.0 0 0.0 0 0.0 9 14
14 14 GLY G T T > <5TS+ 0 0 -147.0 -43.8 -179.8 59.2 119.5 62.8 11 -2.4 18 -0.6 0 0.0 0 0.0 8 14
15 15 LEU L T T < 5TS- 0 0 -58.6 -80.0 -179.9 -6.5 134.0 7.9 11 -4.2 0 0.0 0 0.0 0 0.0 8 14
16 16 LYS K T T 4 5TS+ 0 0 -93.4 -14.5 -180.0 61.7 136.4 53.5 0 0.0 0 0.0 0 0.0 0 0.0 7 16
17 17 GLY G T T 4 > T + 0 0 -94.6 -8.4 179.7 72.3 64.2 59.8 0 0.0 25 -0.7 0 0.0 24 -0.6 6 15
22 22 ASP D T T 4 3 TS+ 0 0 -90.1 11.9 179.9 44.0 101.9 75.9 0 0.0 0 0.0 0 0.0 0 0.0 6 13
23 23 GLN Q T T 4 3 TS+ 0 0 -138.3 12.8 179.6 71.2 98.7 79.8 0 0.0 0 0.0 0 0.0 0 0.0 6 12
24 24 PHE F T T 4 < TS+ 0 0 -95.5 -54.4 179.6 23.5 106.1 28.5 21 -0.6 26 -0.5 0 0.0 0 0.0 6 11
25 25 PHE F t < T + 0 0 -121.0 111.1 -179.8 162.5 69.7 160.4 21 -0.7 0 0.0 0 0.0 0 0.0 6 11
26 26 ALA A + 0 0 -90.4 -115.5 -179.9 133.9 23.7 51.0 24 -0.5 0 0.0 0 0.0 0 0.0 7 12
27 27 ASP D + 0 0 71.2 15.6 179.8 142.6 29.1 49.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
28 28 GLU E S S S- 0 0 -56.4 -26.7 179.8 -9.6 83.1 39.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
29 29 ASN N S S S- 0 0 -177.5 105.7 -180.0 -169.7 73.1 124.2 0 0.0 0 0.0 0 0.0 0 0.0 5 15
30 30 GLN Q - 0 0 -99.3 162.1 180.0 -109.0 26.8 126.4 0 0.0 0 0.0 0 0.0 0 0.0 5 11
31 31 VAL V - 0 0 -93.4 141.7 179.6 -147.6 24.5 135.4 0 0.0 0 0.0 0 0.0 0 0.0 4 11
32 32 VAL V - 0 0 -110.0 134.7 -179.7 -149.6 4.7 154.3 0 0.0 34 -0.6 0 0.0 0 0.0 5 14
33 33 HIS H - 0 0 -110.2 115.3 179.4 -40.6 65.7 154.9 0 0.0 0 0.0 0 0.0 0 0.0 4 8
34 34 GLU E S S S+ 0 0 33.3 85.7 179.9 174.5 80.1 28.3 32 -0.6 0 0.0 0 0.0 0 0.0 4 20
35 35 SER S - 0 0 -121.3 144.1 180.0 -154.8 35.2 158.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
36 36 ASP D + 0 0 -103.4 28.2 179.9 139.2 48.7 90.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
37 37 THR T - 0 0 -74.4 145.2 179.7 -116.8 59.1 117.3 0 0.0 39 -0.9 0 0.0 0 0.0 11 37
38 38 VAL V E E AA + 81 0 -86.3 106.3 -178.7 172.0 45.6 137.3 81 -2.6 81 -2.8 0 0.0 0 0.0 16 43
39 39 VAL V E E AAB + 80 113 -118.3 154.1 179.4 153.6 12.0 148.6 113 -0.9 113 -0.5 37 -0.9 0 0.0 12 45
40 40 LEU L E E AAB - 79 112 -177.9 125.8 -179.6 -153.3 22.0 138.4 79 -1.1 79 -1.4 0 0.0 0 0.0 12 50
41 41 VAL V E E AAB - 78 111 -112.0 135.2 179.9 -171.5 10.1 155.1 111 -1.8 111 -1.4 0 0.0 0 0.0 12 44
42 42 LEU L E E AA - 77 0 -125.7 139.5 -179.3 -94.8 35.8 165.2 77 -1.0 77 -1.3 0 0.0 0 0.0 13 45
43 43 LYS K - 0 0 -50.8 139.6 179.8 -119.4 37.6 99.7 0 0.0 45 -1.5 0 0.0 0 0.0 10 35
44 44 LYS K + 0 0 -87.5 87.7 179.6 135.0 61.8 130.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29
45 45 SER S S h > TS- 0 0 -125.8 170.6 178.3 -86.5 78.3 142.0 43 -1.5 49 -2.8 0 0.0 0 0.0 7 26
46 46 ASP D H H > TS+ 0 0 -51.7 -12.1 179.6 60.1 129.4 48.2 0 0.0 50 -0.8 0 0.0 0 0.0 6 21
47 47 GLU E H H > TS+ 0 0 -80.8 -58.1 179.5 33.6 109.8 17.3 0 0.0 51 -1.5 0 0.0 0 0.0 9 32
48 48 ILE I H H > TS+ 0 0 -63.9 -44.9 -179.0 67.0 110.9 22.9 0 0.0 52 -3.1 0 0.0 0 0.0 11 40
49 49 ASN N H H X TS+ 0 0 -40.5 -59.9 -179.2 27.4 113.5 25.8 45 -2.8 53 -1.3 0 0.0 0 0.0 9 33
50 50 THR T H H X > TS+ 0 0 -70.0 -68.5 -178.7 47.0 123.0 5.2 46 -0.8 54 -2.1 0 0.0 53 -0.5 10 29
51 51 PHE F H H X 3 TS+ 0 0 -42.7 -47.0 179.9 53.7 111.7 30.0 47 -1.5 55 -1.6 0 0.0 0 0.0 13 44
52 52 ILE I H H X 3>TS+ 0 0 -55.9 -48.0 179.6 52.0 106.5 20.6 48 -3.1 56 -1.8 0 0.0 57 -0.7 10 47
53 53 GLU E H H X <5TS+ 0 0 -53.3 -48.8 179.4 31.9 122.3 20.5 49 -1.3 57 -1.0 50 -0.5 0 0.0 10 38
54 54 GLU E H H X >TS+ 0 0 -70.6 -81.6 -179.8 50.5 116.6 11.1 50 -2.1 58 -3.8 0 0.0 59 -0.5 11 35
55 55 ILE I H H X >TS+ 0 0 -22.0 -58.0 -176.9 31.9 123.0 43.4 51 -1.6 59 -1.1 0 0.0 60 -0.8 13 48
56 56 LEU L H H X >TS+ 0 0 -74.2 -66.0 -177.3 34.2 127.4 10.2 52 -1.8 60 -1.8 0 0.0 61 -1.0 11 51
57 57 LEU L H H < XTS+ 0 0 -63.4 -33.1 178.6 53.2 120.2 31.5 53 -1.0 62 -0.9 52 -0.7 0 0.0 10 32
58 58 THR T H H X 5TS+ 0 0 -62.9 -66.2 -177.7 10.7 130.1 6.4 54 -3.8 62 -1.1 0 0.0 0 0.0 9 33
59 59 ASP D H H X TS+ 0 0 161.5 -35.9 179.1 64.2 99.4 92.2 88 -0.8 94 -0.6 0 0.0 0 0.0 10 36
91 91 GLU E H H > TS+ 0 0 -73.0 -70.3 178.9 24.9 115.3 8.1 0 0.0 95 -1.4 0 0.0 0 0.0 10 38
92 92 ILE I H H > > TS+ 0 0 -57.8 -58.9 -179.8 54.9 122.4 12.2 0 0.0 96 -3.4 0 0.0 95 -1.0 14 42
93 93 SER S H H 4 3 TS+ 0 0 -44.7 -34.8 179.8 60.1 102.9 36.4 0 0.0 0 0.0 0 0.0 0 0.0 14 36
94 94 GLU E H H X 3 TS+ 0 0 -60.9 -48.2 -179.7 25.0 119.8 20.3 90 -0.6 98 -1.3 0 0.0 0 0.0 10 30
95 95 LEU L H H < < TS+ 0 0 -90.2 -17.0 -179.8 55.3 123.5 51.1 91 -1.4 0 0.0 92 -1.0 0 0.0 10 29
96 96 LEU L T h < TS- 0 0 -98.3 10.2 -180.0 -42.8 142.9 75.3 92 -3.4 0 0.0 0 0.0 0 0.0 9 32
97 97 GLY G T T 4 > TS- 0 0 125.5 70.7 -179.5 -119.5 70.3 52.8 0 0.0 100 -0.5 0 0.0 0 0.0 8 23
98 98 ARG R T T < 3 TS+ 0 0 -30.7 147.2 -179.6 27.6 100.4 79.8 94 -1.3 0 0.0 0 0.0 0 0.0 8 19
99 99 GLN Q T T 3 TS+ 0 0 65.4 17.9 180.0 146.1 95.8 46.6 0 0.0 0 0.0 0 0.0 0 0.0 7 19
100 100 PHE F t < T - 0 0 -68.3 -165.2 -180.0 -95.1 47.9 78.4 97 -0.5 0 0.0 0 0.0 0 0.0 9 26
101 101 ASN N - 0 0 -104.2 -167.9 -179.9 -129.7 14.9 105.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
102 102 VAL V S t > TS+ 0 0 -113.1 -43.9 -179.8 55.0 101.6 43.3 0 0.0 105 -1.1 0 0.0 0 0.0 11 35
103 103 TYR Y T T 3 TS+ 0 0 -71.3 -2.6 179.2 101.5 78.6 58.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
104 104 ASP D T T > TS+ 0 0 -47.8 -40.8 179.0 67.3 73.6 28.7 0 0.0 107 -0.9 0 0.0 0 0.0 7 44
105 105 PHE F T T < TS+ 0 0 -83.4 146.4 -179.6 13.7 110.1 124.4 102 -1.1 0 0.0 0 0.0 0 0.0 7 52
106 106 LEU L T T 3 TS+ 0 0 64.5 14.8 179.8 120.7 92.8 49.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
107 107 VAL V S t < TS- 0 0 -74.2 -44.9 179.8 -40.6 98.0 23.2 104 -0.9 0 0.0 0 0.0 0 0.0 6 28
108 108 ASP D S S S+ 0 0 178.5 54.5 -179.9 135.3 92.8 89.0 0 0.0 0 0.0 0 0.0 0 0.0 6 19
109 109 VAL V S S S- 0 0 -98.0 -166.5 -179.8 -59.5 77.5 99.8 0 0.0 0 0.0 0 0.0 0 0.0 10 25
110 110 SER S S S S- 0 0 -43.6 -40.1 179.7 -45.4 111.4 32.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
111 111 SER S E E AB - 41 0 170.5 149.9 179.9 -169.7 48.2 144.9 41 -1.4 41 -1.8 0 0.0 0 0.0 9 30
112 112 THR T E E AB - 40 0 -157.7 84.9 180.0 -164.0 10.8 123.7 0 0.0 114 -0.6 0 0.0 0 0.0 10 41
113 113 ILE I E E AB + 39 0 -77.2 114.5 -180.0 65.5 55.1 128.2 39 -0.5 39 -0.9 0 0.0 0 0.0 8 39
114 114 GLY G S S S- 0 0 143.9 142.0 179.9 -88.8 85.4 115.8 112 -0.6 116 -0.5 0 0.0 0 0.0 11 44
115 115 ARG R E E BE - 126 0 -77.1 120.1 -179.2 -156.6 42.2 128.7 126 -2.4 126 -3.1 0 0.0 117 -0.5 7 39
116 116 ALA A E E BE + 125 0 -104.8 125.4 178.2 172.4 16.8 151.2 114 -0.5 0 0.0 0 0.0 0 0.0 9 40
117 117 TYR Y E E BE - 124 0 -131.6 127.4 -178.5 -149.7 17.0 174.9 124 -2.4 124 -2.4 115 -0.5 0 0.0 7 31
118 118 THR T E E BE - 123 0 -100.3 149.3 179.4 -177.6 12.6 136.7 0 0.0 0 0.0 0 0.0 0 0.0 10 28
119 119 LEU L e - 0 0 -146.6 118.1 -179.2 -49.6 60.4 160.4 122 -1.3 121 -0.7 0 0.0 0 0.0 6 20
120 120 GLY G S S S- 0 0 59.1 -104.3 179.2 -12.0 124.5 112.6 0 0.0 0 0.0 0 0.0 0 0.0 4 18
121 121 ASN N S S S+ 0 0 -133.1 83.7 -179.9 52.8 124.1 136.8 119 -0.7 0 0.0 0 0.0 0 0.0 9 28
122 122 LYS K e - 0 0 153.0 115.6 179.8 -146.6 62.9 103.7 0 0.0 119 -1.3 0 0.0 0 0.0 12 38
123 123 PHE F E E BDE - 87 118 -104.2 138.5 -179.6 -154.4 10.6 146.5 87 -2.5 87 -1.3 0 0.0 0 0.0 14 37
124 124 THR T E E BDE - 86 117 -114.1 133.3 179.1 -156.9 0.3 158.1 117 -2.4 117 -2.4 0 0.0 126 -0.6 12 46
125 125 ILE I E E BDE - 85 116 -113.8 117.6 179.9 -169.0 11.9 158.3 85 -2.6 85 -2.6 0 0.0 0 0.0 13 48
126 126 THR T E E BDE + 84 115 -100.5 156.4 179.3 177.7 20.1 131.4 115 -3.1 115 -2.4 124 -0.6 0 0.0 13 40
127 127 SER S S e S+ 0 0 -142.4 17.3 -178.7 48.4 81.0 84.7 83 -0.9 0 0.0 0 0.0 0 0.0 13 37
128 128 GLU E t > T - 0 0 -124.7 -49.4 180.0 -164.4 67.0 50.7 0 0.0 131 -1.9 0 0.0 0 0.0 11 31
129 129 LEU L T T 3 TS- 0 0 63.9 18.1 -179.9 -74.2 72.6 46.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
130 130 MET M T T 3 TS- 0 0 69.3 15.7 -179.9 -58.2 93.8 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
131 131 GLY G t X T - 0 0 78.3 102.8 180.0 -137.3 45.0 32.3 128 -1.9 134 -0.6 0 0.0 0 0.0 6 22
132 132 LEU L T T 3 TS+ 0 0 -58.1 -30.0 -180.0 47.7 104.8 36.3 0 0.0 134 -0.5 0 0.0 0 0.0 5 19
133 133 ASP D T T 3 T + 0 0 -113.6 69.7 179.8 133.8 66.4 127.0 0 0.0 0 0.0 0 0.0 0 0.0 6 16
134 134 ARG R S t < TS+ 0 0 -84.5 -33.5 179.8 19.2 89.8 35.6 131 -0.6 0 0.0 132 -0.5 0 0.0 7 12
135 135 LYS K S S S+ 0 0 -109.6 -17.5 180.0 50.4 128.8 55.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
136 136 LEU L + 0 0 -105.6 15.1 -179.9 123.1 68.1 80.2 0 0.0 0 0.0 0 0.0 0 0.0 6 11
137 137 GLU E S S S+ 0 0 -45.3 -31.9 179.9 26.7 83.5 37.7 0 0.0 0 0.0 0 0.0 0 0.0 6 14
138 138 ASP D + 0 0 -139.9 133.0 -180.0 155.0 66.9 175.4 0 0.0 0 0.0 0 0.0 0 0.0 5 10
139 139 TYR Y + 0 0 -160.8 109.2 179.9 141.3 14.9 140.3 0 0.0 0 0.0 0 0.0 0 0.0 5 9
140 140 HIS H 0 0 -139.8 177.4 180.0 999.9 999.9 146.1 0 0.0 0 0.0 0 0.0 0 0.0 3 7
141 141 ALA A 0 0 -170.9 999.9 999.9 999.9 999.9 73.9 0 0.0 0 0.0 0 0.0 0 0.0 2 5
1ckv-.pdb
1CKV HYDROXYLASE REGULATORY PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTTTTTTTSS TTT SS S EEEEE SHHHHHHHHHHHHHHHHHHT S EEEE SSSEEEEESSEEEE SSHHHHHTTTT Kabs/Sand
chirality +--+--+++++++-+++-++++++++------+-+-++----+-++++++++++++++++-+--++----+--+---++--------+++++++--++- chirality
bends SSSSSSSSSSS SSS SS S SSSSSSSSSSSSSSSSSSSS S SSS SS SSSSSSSSSSS bends
turns TTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5>>>X533X33< >33< >33< >33< >33< 3-turns
bridge-2 BBB CCCC bridge-2
bridge-1 AAAAA CCCC AAAAA DDDD bridge-1
sheets AAAAA AAAA AAAAA BBBB sheets
4-turns >44><4><44< >444< >>>>XXXXXXXX>>4X<<4< 4-turns
summary tTTTTTTTTTtS tTTTt SS S EEEEE hHHHHHHHHHHHHHHHHHHhtS EEEEeSSeEEEEESeEEEE ShHHHHHhTTTt summary
sequence MSVNSNAYDAGIMGLKGKDFADQFFADENQVVHESDTVVLVLKKSDEINTFIEEILLTDYKKNVNPTVNVEDRAGYWWIKANGKIEVDCDEISELLGRQF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand STTTTSSSSEEESEEEE SS EEEES TT TTSS S Kabs/Sand
chirality -+++++-+----+--+----+----++----++++++++ chirality
bends SSSSSSSSS S SS S SS S SS S bends
turns TTTTTT TTTTTTT turns
5-turns 5-turns
3-turns >3><3< >33X33< 3-turns
bridge-2 EEEE bridge-2
bridge-1 BBB EEEE DDDD bridge-1
sheets AAA BBBB BBBB sheets
4-turns 4-turns
summary tTTTTtSSSEEESEEEEeSSeEEEEetTTtTTtS S summary
sequence NVYDFLVDVSSTIGRAYTLGNKFTITSELMGLDRKLEDYHA sequence
110 120 130 140