Secondary structure calculation program - copyright by David Keith Smith, 1989
1luvA.pdb
1LUV OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 198
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 1 LYS K 0 0 999.9 127.6 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 22
2 A 2 HIS H - 0 0 -79.0 150.7 -178.5 -156.1 999.9 120.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
3 A 3 SER S - 0 0 -132.9 149.0 178.3 -109.3 22.3 163.5 0 0.0 0 0.0 0 0.0 0 0.0 5 32
4 A 4 LEU L - 0 0 -72.8 121.8 180.0 -133.9 41.6 126.6 0 0.0 0 0.0 0 0.0 0 0.0 7 37
5 A 5 PRO P - 0 0 -80.0 146.0 177.1 -113.7 16.3 122.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
6 A 6 ASP D - 0 0 -69.7 156.2 177.4 -103.0 38.5 113.5 0 0.0 0 0.0 0 0.0 0 0.0 4 32
7 A 7 LEU L - 0 0 -75.8 154.2 179.6 -126.8 20.6 116.8 0 0.0 0 0.0 0 0.0 0 0.0 9 37
8 A 8 PRO P S S S+ 0 0 -80.6 1.2 -178.1 19.9 91.0 61.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
9 A 9 TYR Y S S S- 0 0 -155.1 177.4 179.8 -68.9 97.0 156.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
10 A 10 ASP D t > T - 0 0 -74.4 151.0 -179.4 -111.3 47.8 113.7 0 0.0 13 -2.3 0 0.0 0 0.0 6 30
11 A 11 TYR Y T T 3 TS+ 0 0 -53.9 -34.1 179.9 42.1 120.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 11 34
12 A 12 GLY G T T > TS+ 0 0 -100.2 19.7 -179.2 105.7 83.3 79.8 0 0.0 15 -1.0 0 0.0 0 0.0 9 29
13 A 13 ALA A T T < TS+ 0 0 -69.9 -20.0 -178.1 49.2 79.9 45.1 10 -2.3 0 0.0 0 0.0 0 0.0 9 34
14 A 14 LEU L T T > > TS+ 0 0 -102.4 3.6 178.5 165.5 89.8 68.9 0 0.0 17 -1.3 0 0.0 18 -1.1 12 42
15 A 15 GLU E T T 4 < T + 0 0 -56.9 148.3 0.0 21.2 55.4 106.7 12 -1.0 0 0.0 0 0.0 0 0.0 8 34
16 A 16 PRO P T T 4 3 TS+ 0 0 -95.6 6.5 -178.5 53.9 122.7 165.6 0 0.0 0 0.0 0 0.0 0 0.0 5 33
17 A 17 HIS H T T 4 < TS+ 0 0 -65.2 -45.7 176.5 10.4 129.2 24.8 14 -1.3 0 0.0 0 0.0 0 0.0 10 42
18 A 18 ILE I S t < TS- 0 0 -134.7 115.7 -176.5 -128.9 94.2 165.0 14 -1.1 0 0.0 0 0.0 0 0.0 13 53
19 A 19 ASN N h > T - 0 0 -70.3 162.0 -178.0 -109.7 17.2 98.9 0 0.0 23 -2.0 0 0.0 0 0.0 12 36
20 A 20 ALA A H H > TS+ 0 0 -55.7 -42.3 -179.6 57.6 113.9 32.2 0 0.0 24 -2.7 0 0.0 0 0.0 11 34
21 A 21 GLN Q H H > TS+ 0 0 -58.8 -43.7 179.1 47.0 108.6 24.1 0 0.0 25 -2.4 0 0.0 0 0.0 8 29
22 A 22 ILE I H H > TS+ 0 0 -63.6 -49.1 -179.7 48.8 112.3 18.4 0 0.0 26 -3.2 0 0.0 0 0.0 13 43
23 A 23 MET M H H X TS+ 0 0 -58.1 -43.5 -179.2 47.6 113.3 24.6 19 -2.0 27 -2.2 0 0.0 0 0.0 11 51
24 A 24 GLN Q H H X >TS+ 0 0 -65.1 -49.9 178.7 40.8 117.0 17.8 20 -2.7 28 -2.2 0 0.0 29 -0.5 10 36
25 A 25 LEU L H H X >TS+ 0 0 -61.5 -49.3 -178.2 53.0 114.4 18.3 21 -2.4 29 -2.0 0 0.0 30 -1.9 9 33
26 A 26 HIS H H H < >TS+ 0 0 -53.7 -44.5 -179.5 27.9 123.0 27.7 22 -3.2 31 -2.3 0 0.0 0 0.0 11 49
27 A 27 HIS H H H < >TS+ 0 0 -83.3 -62.0 -177.8 40.7 125.5 16.1 23 -2.2 32 -1.4 0 0.0 0 0.0 10 47
28 A 28 SER S H H < 5TS+ 0 0 -63.4 -25.2 -179.1 19.2 133.3 43.1 24 -2.2 0 0.0 0 0.0 0 0.0 8 34
29 A 29 LYS K T h X TS+ 0 0 -65.0 -37.9 -180.0 49.6 112.4 28.3 44 -2.1 53 -2.4 0 0.0 52 -0.7 12 23
49 A 49 LEU L H H < >5TS+ 0 0 -66.2 -45.3 -179.8 55.6 106.9 20.9 45 -3.0 52 -1.0 0 0.0 0 0.0 10 21
50 A 50 ALA A H H < 35TS+ 0 0 -55.5 -40.7 179.9 42.9 111.6 29.5 46 -2.3 0 0.0 0 0.0 0 0.0 7 16
51 A 51 LYS K H H < 35TS- 0 0 -81.7 -11.0 -177.7 -122.1 110.5 54.2 47 -1.7 0 0.0 0 0.0 0 0.0 6 15
52 A 52 GLY G T h < <5T + 0 0 74.0 23.9 179.8 162.5 53.5 39.3 49 -1.0 54 -1.4 48 -0.7 0 0.0 6 16
53 A 53 ASP D h > TS+ 0 0 -64.6 -39.9 179.9 57.1 75.5 31.5 52 -1.4 58 -2.2 0 0.0 0 0.0 8 17
55 A 55 THR T H H > TS+ 0 0 -61.1 -38.4 179.9 47.2 109.5 27.1 0 0.0 59 -2.0 0 0.0 0 0.0 6 18
56 A 56 ALA A H H > TS+ 0 0 -70.2 -41.8 179.3 52.6 108.9 25.8 0 0.0 60 -1.3 0 0.0 0 0.0 9 23
57 A 57 GLN Q H H < TS+ 0 0 -59.4 -41.5 -179.8 46.4 112.8 25.7 53 -1.8 0 0.0 0 0.0 0 0.0 11 25
58 A 58 ILE I H H < > TS+ 0 0 -68.9 -41.3 179.4 54.0 107.9 27.3 54 -2.2 61 -1.2 0 0.0 0 0.0 7 24
59 A 59 ALA A H H < 3 TS+ 0 0 -65.2 -22.6 -179.6 53.8 108.0 41.9 55 -2.0 0 0.0 0 0.0 0 0.0 7 24
60 A 60 LEU L T h X 3 TS+ 0 0 -88.9 -9.0 -178.2 89.5 82.9 58.1 56 -1.3 64 -2.2 0 0.0 0 0.0 10 30
61 A 61 GLN Q H H > < TS+ 0 0 -57.6 -46.8 -179.8 53.7 82.7 24.5 58 -1.2 65 -3.1 0 0.0 0 0.0 8 35
62 A 62 PRO P H H > TS+ 0 0 -55.7 -44.0 179.5 44.0 112.9 24.6 0 0.0 66 -2.2 0 0.0 0 0.0 7 30
63 A 63 ALA A H H > TS+ 0 0 -69.9 -35.9 -179.4 49.6 114.6 30.4 0 0.0 67 -2.7 0 0.0 0 0.0 10 35
64 A 64 LEU L H H X >TS+ 0 0 -70.4 -45.4 -180.0 42.0 114.8 19.6 60 -2.2 68 -2.4 0 0.0 69 -0.5 12 41
65 A 65 LYS K H H X 5TS+ 0 0 -66.3 -40.8 -179.0 46.8 119.2 23.0 61 -3.1 69 -1.8 0 0.0 0 0.0 12 41
66 A 66 PHE F H H X 5TS+ 0 0 -66.6 -53.8 -179.8 31.4 122.6 16.3 62 -2.2 70 -1.9 0 0.0 0 0.0 11 43
67 A 67 ASN N H H X 5TS+ 0 0 -74.7 -39.2 178.6 46.3 123.4 26.1 63 -2.7 71 -1.8 0 0.0 0 0.0 13 46
68 A 68 GLY G H H X 5TS+ 0 0 -68.2 -40.3 178.7 47.9 115.4 24.8 64 -2.4 72 -2.6 0 0.0 0 0.0 12 46
69 A 69 GLY G H H X TS+ 0 0 -53.4 -47.9 -179.3 54.7 101.0 28.5 73 -2.8 80 -0.9 0 0.0 0 0.0 12 66
78 A 78 TRP W H H < > TS+ 0 0 -57.8 -39.4 -179.6 46.5 110.3 28.5 74 -2.2 81 -0.9 0 0.0 0 0.0 9 56
79 A 79 THR T H H < 3 TS+ 0 0 -77.7 -14.4 179.6 64.1 103.6 49.6 75 -0.9 0 0.0 0 0.0 0 0.0 11 47
80 A 80 ASN N T h < < TS+ 0 0 -83.9 -6.5 -178.7 67.3 99.2 61.3 76 -1.0 185 -3.0 77 -0.9 0 0.0 13 53
81 A 81 LEU L B B A < T + 184 0 -116.8 154.2 179.6 170.9 58.0 147.0 78 -0.9 0 0.0 0 0.0 0 0.0 10 58
82 A 82 SER S t > T - 0 0 -162.7 137.4 180.0 -129.2 41.3 159.1 183 -2.6 85 -2.8 0 0.0 0 0.0 13 46
83 A 83 PRO P T T 3 TS+ 0 0 -55.9 -29.1 179.4 45.3 118.9 32.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
84 A 84 ASN N T T 3 TS+ 0 0 -100.2 23.5 -179.8 115.9 95.6 86.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
85 A 85 GLY G t < T + 0 0 -76.2 -164.0 179.5 80.9 32.4 82.7 82 -2.8 0 0.0 0 0.0 0 0.0 11 35
86 A 86 GLY G + 0 0 96.9 -178.7 -179.7 74.0 52.7 111.0 184 -2.2 0 0.0 0 0.0 0 0.0 10 36
87 A 87 GLY G S S S- 0 0 71.6 -146.6 -179.5 -59.2 88.2 114.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
88 A 88 GLU E - 0 0 -134.5 163.5 179.3 -105.3 45.2 153.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
89 A 89 PRO P - 0 0 -78.1 176.9 -179.6 -141.9 36.7 102.8 0 0.0 0 0.0 0 0.0 0 0.0 9 41
90 A 90 LYS K h > > T + 0 0 -133.0 -178.8 179.1 2.2 48.8 137.0 0 0.0 94 -1.3 0 0.0 93 -0.6 7 28
91 A 91 GLY G H H > 3 TS+ 0 0 43.7 -133.3 -178.7 5.7 122.3 90.5 0 0.0 95 -2.5 0 0.0 0 0.0 6 24
92 A 92 GLU E H H > 3 TS+ 0 0 -45.4 -57.4 -179.5 47.4 132.4 29.5 0 0.0 96 -2.4 0 0.0 0 0.0 6 32
93 A 93 LEU L H H > < TS+ 0 0 -55.3 -51.5 -179.7 46.7 114.0 21.3 90 -0.6 97 -2.5 0 0.0 0 0.0 11 46
94 A 94 LEU L H H X TS+ 0 0 -57.1 -43.2 179.6 54.0 111.5 23.8 90 -1.3 98 -2.7 0 0.0 0 0.0 11 42
95 A 95 GLU E H H X TS+ 0 0 -56.8 -47.1 179.9 46.4 109.5 24.8 91 -2.5 99 -2.3 0 0.0 0 0.0 9 30
96 A 96 ALA A H H X TS+ 0 0 -65.9 -38.9 179.7 52.8 111.4 27.9 92 -2.4 100 -2.8 0 0.0 0 0.0 10 42
97 A 97 ILE I H H X TS+ 0 0 -63.9 -44.7 178.9 46.1 110.3 22.7 93 -2.5 101 -2.2 0 0.0 0 0.0 13 42
98 A 98 LYS K H H X TS+ 0 0 -62.3 -41.8 -179.4 50.2 115.0 22.7 94 -2.7 102 -1.5 0 0.0 0 0.0 11 28
99 A 99 ARG R H H < TS+ 0 0 -63.3 -45.3 -178.2 32.5 119.4 26.2 95 -2.3 0 0.0 0 0.0 0 0.0 8 27
100 A 100 ASP D H H < TS+ 0 0 -90.8 -17.6 -180.0 26.8 132.9 47.3 96 -2.8 0 0.0 0 0.0 0 0.0 9 31
101 A 101 PHE F H H < TS- 0 0 -124.7 3.7 179.3 -116.0 101.2 68.6 97 -2.2 103 -0.7 0 0.0 0 0.0 9 29
102 A 102 GLY G S h < TS- 0 0 93.3 -49.5 179.8 -1.3 85.3 105.5 98 -1.5 0 0.0 0 0.0 0 0.0 9 22
103 A 103 SER S S h > TS- 0 0 -164.5 164.5 179.1 -101.6 74.7 166.6 101 -0.7 107 -2.4 0 0.0 0 0.0 9 26
104 A 104 PHE F H H > TS+ 0 0 -60.7 -41.7 -179.4 54.0 121.8 24.3 0 0.0 108 -2.6 0 0.0 0 0.0 11 36
105 A 105 ASP D H H > TS+ 0 0 -59.1 -46.4 -180.0 47.0 109.2 21.9 0 0.0 109 -2.0 0 0.0 0 0.0 6 30
106 A 106 LYS K H H > TS+ 0 0 -62.4 -41.1 178.7 54.2 109.9 26.1 0 0.0 110 -2.5 0 0.0 0 0.0 9 27
107 A 107 PHE F H H X TS+ 0 0 -58.5 -48.3 179.2 51.1 106.6 21.4 103 -2.4 111 -2.9 0 0.0 0 0.0 12 45
108 A 108 LYS K H H X TS+ 0 0 -54.9 -45.5 -178.4 48.1 111.6 22.3 104 -2.6 112 -2.6 0 0.0 0 0.0 8 52
109 A 109 GLU E H H X TS+ 0 0 -63.9 -39.5 179.4 50.0 111.4 27.1 105 -2.0 113 -2.5 0 0.0 0 0.0 8 36
110 A 110 LYS K H H X TS+ 0 0 -64.3 -49.1 -179.9 42.3 114.9 20.9 106 -2.5 114 -2.1 0 0.0 0 0.0 9 38
111 A 111 LEU L H H X TS+ 0 0 -68.1 -34.1 178.3 53.5 113.2 30.3 107 -2.9 115 -2.3 0 0.0 0 0.0 12 49
112 A 112 THR T H H X TS+ 0 0 -63.7 -45.1 179.6 50.9 108.8 19.4 108 -2.6 116 -3.3 0 0.0 0 0.0 10 43
113 A 113 ALA A H H X TS+ 0 0 -58.0 -45.4 -179.5 47.8 110.1 24.9 109 -2.5 117 -2.1 0 0.0 0 0.0 8 38
114 A 114 ALA A H H X TS+ 0 0 -63.7 -41.3 -179.5 46.4 115.4 22.9 110 -2.1 118 -0.7 0 0.0 0 0.0 13 41
115 A 115 SER S H H < > TS+ 0 0 -67.3 -46.5 179.2 43.3 115.4 21.4 111 -2.3 118 -0.8 0 0.0 0 0.0 15 49
116 A 116 VAL V H H < 3 TS+ 0 0 -68.6 -27.7 -178.4 63.9 108.2 35.5 112 -3.3 0 0.0 0 0.0 0 0.0 10 47
117 A 117 GLY G H H < 3 TS+ 0 0 -72.2 -18.5 179.8 112.9 71.4 48.6 113 -2.1 0 0.0 0 0.0 0 0.0 6 35
118 A 118 VAL V h < < T - 0 0 -59.9 122.2 178.3 -148.1 59.2 113.0 115 -0.8 120 -0.8 114 -0.7 0 0.0 14 36
119 A 119 GLN Q S S S- 0 0 -94.1 112.2 -176.8 -11.4 71.3 148.3 0 0.0 0 0.0 0 0.0 0 0.0 5 26
120 A 120 GLY G S S S- 0 0 97.3 -149.8 -178.5 -10.4 120.4 139.0 118 -0.8 0 0.0 0 0.0 0 0.0 7 28
121 A 121 SER S S e S+ 0 0 -90.6 147.0 178.4 88.1 84.5 124.3 0 0.0 142 -2.9 0 0.0 0 0.0 11 36
122 A 122 GLY G E E AA - 141 0 168.9 -167.8 -177.1 -71.6 54.1 173.8 0 0.0 160 -2.9 0 0.0 0 0.0 14 50
123 A 123 TRP W E E AAB - 140 159 -133.3 143.7 174.4 -150.6 14.1 164.2 140 -2.9 140 -3.0 0 0.0 0 0.0 16 61
124 A 124 GLY G E E AAB - 139 158 -110.2 135.0 -179.1 -167.3 28.8 159.8 158 -2.4 158 -3.4 0 0.0 0 0.0 17 63
125 A 125 TRP W E E AAB - 138 157 -133.7 147.5 172.2 -156.8 31.0 163.5 138 -3.3 138 -2.2 0 0.0 127 -0.6 17 64
126 A 126 LEU L E E AAB + 137 156 -109.5 118.7 -179.9 167.1 42.6 169.6 156 -2.5 155 -2.5 0 0.0 156 -2.0 13 67
127 A 127 GLY G E E AAB - 136 154 -128.9 177.5 179.0 -115.2 35.8 139.4 136 -3.6 136 -2.5 125 -0.6 0 0.0 13 58
128 A 128 PHE F E E AAB - 135 153 -119.0 128.6 179.5 -147.2 15.8 165.6 153 -2.0 153 -2.5 0 0.0 130 -0.9 14 49
129 A 129 ASN N E E >AA >T - 134 0 -95.1 105.7 -179.2 -168.4 10.1 146.2 134 -3.1 133 -2.3 0 0.0 134 -1.2 12 35
130 A 130 LYS K T T 4 5TS+ 0 0 -61.6 -40.8 -179.7 49.6 83.9 28.5 128 -0.9 0 0.0 0 0.0 0 0.0 10 28
131 A 131 GLU E T T 4 5TS+ 0 0 -64.5 -53.8 179.8 32.7 121.0 15.8 0 0.0 0 0.0 0 0.0 0 0.0 4 17
132 A 132 ARG R T T 4 5TS- 0 0 -74.5 -23.8 179.3 -135.0 104.2 41.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
133 A 133 GLY G T T < 5T + 0 0 72.3 40.9 -179.8 97.1 64.3 27.7 129 -2.3 0 0.0 0 0.0 0 0.0 7 29
134 A 134 HIS H E E AA T - 122 0 -82.7 149.6 177.8 -30.9 68.7 121.4 0 0.0 144 -2.1 0 0.0 0 0.0 10 40
142 A 142 ASN N T e 3 TS- 0 0 47.7 -122.4 178.4 -29.2 123.9 99.9 121 -2.9 0 0.0 0 0.0 0 0.0 10 47
143 A 143 GLN Q T T 3 TS+ 0 0 -107.2 8.3 178.8 142.0 89.0 70.8 0 0.0 0 0.0 0 0.0 0 0.0 14 55
144 A 144 ASP D t < T - 0 0 -49.9 120.2 -179.4 -126.8 53.2 106.6 141 -2.1 0 0.0 0 0.0 0 0.0 12 47
145 A 145 PRO P h > T - 0 0 -76.1 145.9 -177.6 -127.5 6.5 116.5 0 0.0 149 -1.4 0 0.0 0 0.0 13 51
146 A 146 LEU L H H > >TS+ 0 0 -57.9 -59.7 -178.4 36.7 102.2 17.9 0 0.0 150 -1.6 0 0.0 151 -0.7 12 49
147 A 147 GLN Q H H > 5TS+ 0 0 -63.9 -45.2 -179.9 51.3 117.0 23.1 0 0.0 151 -1.5 0 0.0 0 0.0 9 44
148 A 148 GLY G H H 4 5TS+ 0 0 -65.8 -24.0 -179.7 27.7 123.9 42.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
149 A 149 THR T H H < 5TS+ 0 0 -113.9 -6.0 -175.9 22.9 137.6 59.2 145 -1.4 0 0.0 0 0.0 0 0.0 7 35
150 A 150 THR T H H < 5TS- 0 0 -131.9 -28.3 -179.0 -127.8 86.6 52.3 146 -1.6 0 0.0 0 0.0 0 0.0 7 35
151 A 151 GLY G h < TS- 0 0 -68.5 147.4 -179.0 -115.9 74.6 121.9 0 0.0 164 -1.9 0 0.0 0 0.0 11 53
162 A 162 GLU E G G > > TS+ 0 0 -60.2 -29.6 179.8 67.1 113.6 33.5 0 0.0 166 -3.5 0 0.0 165 -2.0 7 39
163 A 163 HIS H G G 4 3 TS+ 0 0 -64.3 -16.2 179.5 64.5 91.9 43.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
164 A 164 ALA A G G 4 < TS- 0 0 -80.7 -13.2 -177.7 -2.9 128.2 48.9 161 -1.9 0 0.0 0 0.0 0 0.0 9 57
165 A 165 TYR Y T h > X TS+ 0 0 -151.2 -16.2 -175.9 100.0 97.6 56.3 162 -2.0 169 -3.2 0 0.0 168 -0.9 14 45
166 A 166 TYR Y H H X 3 TS+ 0 0 -53.2 -41.0 -179.7 57.6 81.0 36.2 162 -3.5 170 -1.5 0 0.0 0 0.0 10 34
167 A 167 LEU L H H 4 3 TS+ 0 0 -59.3 -36.3 -177.5 25.7 123.0 27.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
168 A 168 GLN Q H H 4 < TS+ 0 0 -95.5 -44.0 -178.3 23.5 137.2 29.7 165 -0.9 0 0.0 0 0.0 0 0.0 8 34
169 A 169 TYR Y H H < > TS- 0 0 -105.2 -1.5 -179.1 -162.3 84.1 62.7 165 -3.2 172 -1.6 0 0.0 0 0.0 10 31
170 A 170 LYS K T h < 3 T - 0 0 54.1 -140.5 -178.8 -16.4 68.8 103.9 166 -1.5 0 0.0 0 0.0 0 0.0 8 25
171 A 171 ASN N T T 3 TS+ 0 0 -70.6 -13.3 -178.0 96.6 113.4 52.5 0 0.0 173 -2.0 0 0.0 0 0.0 5 24
172 A 172 VAL V h > X T + 0 0 -82.5 76.0 -179.9 168.3 43.9 118.4 169 -1.6 175 -1.2 0 0.0 176 -0.8 7 30
173 A 173 ARG R H H > > TS+ 0 0 -56.3 -38.1 179.9 64.8 70.2 30.9 171 -2.0 177 -2.0 0 0.0 176 -0.9 12 39
174 A 174 PRO P H H > 3 TS+ 0 0 -57.8 -28.4 178.9 56.7 96.9 33.0 0 0.0 178 -2.3 0 0.0 0 0.0 7 38
175 A 175 ASP D H H > < TS+ 0 0 -68.3 -32.5 178.8 50.9 106.4 32.9 172 -1.2 179 -1.7 0 0.0 0 0.0 8 34
176 A 176 TYR Y H H X < TS+ 0 0 -69.0 -44.4 -179.8 49.4 109.7 24.4 173 -0.9 180 -2.5 172 -0.8 0 0.0 12 48
177 A 177 LEU L H H X TS+ 0 0 -63.3 -42.6 179.7 52.2 108.6 24.0 173 -2.0 181 -1.2 0 0.0 0 0.0 11 51
178 A 178 LYS K H H < TS+ 0 0 -58.6 -44.4 -178.5 45.7 113.7 20.1 174 -2.3 0 0.0 0 0.0 0 0.0 8 42
179 A 179 ALA A H H < > TS+ 0 0 -67.0 -42.9 -177.3 62.4 101.8 28.4 175 -1.7 182 -1.9 0 0.0 0 0.0 10 42
180 A 180 ILE I H H X > TS+ 0 0 -57.4 -32.4 179.7 71.4 88.0 35.2 176 -2.5 183 -2.4 0 0.0 184 -0.6 10 58
181 A 181 TRP W G h < > TS+ 0 0 -55.0 -26.2 -179.5 65.5 89.1 37.7 177 -1.2 184 -0.6 0 0.0 0 0.0 9 54
182 A 182 ASN N G T 4 < TS+ 0 0 -72.3 -15.0 -179.6 37.3 107.9 49.6 179 -1.9 0 0.0 0 0.0 0 0.0 10 35
183 A 183 VAL V G T 4 < TS+ 0 0 -119.1 6.4 -180.0 133.9 77.6 68.9 180 -2.4 82 -2.6 0 0.0 0 0.0 14 46
184 A 184 ILE I B B < A < T - 81 0 -60.7 128.9 179.3 -135.9 54.1 111.8 180 -0.6 86 -2.2 181 -0.6 186 -1.4 11 54
185 A 185 ASN N h > > T + 0 0 -87.6 87.0 -179.1 177.1 27.1 132.6 80 -3.0 189 -1.9 0 0.0 188 -0.6 13 44
186 A 186 TRP W H H > 3 TS+ 0 0 -64.7 -21.2 178.6 65.4 76.1 42.1 184 -1.4 190 -2.3 0 0.0 0 0.0 11 47
187 A 187 GLU E H H > 3 TS+ 0 0 -64.8 -44.0 -179.9 42.0 106.8 20.8 0 0.0 191 -2.0 0 0.0 0 0.0 7 36
188 A 188 ASN N H H > < TS+ 0 0 -69.3 -42.8 179.9 50.6 113.4 25.4 185 -0.6 192 -2.5 0 0.0 0 0.0 9 44
189 A 189 VAL V H H X TS+ 0 0 -63.3 -36.8 179.4 50.4 111.2 27.4 185 -1.9 193 -2.1 0 0.0 0 0.0 11 53
190 A 190 THR T H H X TS+ 0 0 -65.7 -44.0 178.4 51.4 108.8 22.7 186 -2.3 194 -2.8 0 0.0 0 0.0 11 42
191 A 191 GLU E H H X TS+ 0 0 -57.5 -45.6 179.7 48.1 110.9 23.1 187 -2.0 195 -1.6 0 0.0 0 0.0 8 35
192 A 192 ARG R H H X TS+ 0 0 -63.9 -37.2 179.9 50.0 112.3 29.1 188 -2.5 196 -1.1 0 0.0 0 0.0 10 46
193 A 193 TYR Y H H < TS+ 0 0 -68.5 -42.2 -179.6 47.8 110.7 25.8 189 -2.1 0 0.0 0 0.0 0 0.0 11 44
194 A 194 MET M H H < > TS+ 0 0 -70.6 -25.7 -179.6 62.9 104.4 39.2 190 -2.8 197 -0.7 0 0.0 0 0.0 8 33
195 A 195 ALA A H H < 3 TS+ 0 0 -68.2 -39.3 179.9 38.9 108.4 28.7 191 -1.6 0 0.0 0 0.0 0 0.0 7 26
196 A 196 CYS C T h < 3 TS+ 0 0 -95.0 13.7 179.7 123.0 81.9 72.7 192 -1.1 198 -2.4 0 0.0 0 0.0 9 31
197 A 197 LYS K t < T 0 0 -76.5 76.3 178.8 999.9 999.9 117.9 194 -0.7 0 0.0 0 0.0 0 0.0 5 29
198 A 198 LYS K 0 0 -131.4 999.9 999.9 999.9 999.9 147.3 196 -2.4 0 0.0 0 0.0 0 0.0 4 20
1luvA.pdb
1LUV OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS TTTTTTTS HHHHHHHHHTHHHHHHHHHHHHHHHHHHHHHHT HHHHHHTHHHHHHHHHHHHHHHHHHHTB TT S HHHHHHHHHH Kabs/Sand
chirality ------+--+++++++--+++++++++++++++++++++++++++++++-++++++++++++++++++++++++++++++-++++---+++++++++++ chirality
bends SS SSSS SSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSS SS S SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >>>>5<<<< >5555< >5555< 5-turns
3-turns >3><><3< >33< >33< >>3<<>33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A bridge-1
sheets sheets
4-turns >444<>>>>XXX<<>>XXXXXXXXXXXXXXXX<<<<>>>><<>>XXXXXXXXXXXXX<<<< >>>>XXXXX<< 4-turns
summary SStTTTTTTTthHHHHHHHHHhHHHHHHHHHHHHHHHHHHHHHHhhHHHHHHhHHHHHHHHHHHHHHHHHHHhBtTTt S hHHHHHHHHHH summary
sequence KHSLPDLPYDYGALEPHINAQIMQLHHSKHHAAYVNNLNVTEEKYQEALAKGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HSSHHHHHHHHHHHHHH SSSEEEEEEEETTTTEEEEEEEETT HHHHH EEEEEEE SGGGTHHHHTT HHHHHHHHGGGB HHHHHHHHHHT Kabs/Sand
chirality ---++++++++++++++---+----+---++-+---+-----+--++++-+--++---++-++-++++--+++++++++++++-++++++++++++ chirality
bends SSSSSSSSSSSSSSSSS SSS SSS S SS SSSSS S SSSSSSSSS S SSSSSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>333X>3<< >>><<<>33< >33< 3-turns
bridge-2 BBBBBB bridge-2
bridge-1 AAAAAAAA AAAAAAAA BB*BBBB A bridge-1
sheets AAAAAAAA AAAAAAAA AAAAAAA sheets
4-turns <<>>>>XXXXXXXX<<<< >444< >>>4<<< >44>X44<< >>>>XX<>>>XXXX<<<< 4-turns
summary HhhHHHHHHHHHHHHHHhSSeEEEEEEEETTTTEEEEEEEEeTthHHHHHh EEEEEEEegGGGhHHHHhThHHHHHHHHhTTBhHHHHHHHHHHht summary
sequence FGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTTGLIPLLGIDVWEHAYYLQYKNVRPDYLKAIWNVINWENVTERYMACKK sequence
110 120 130 140 150 160 170 180 190