Secondary structure calculation program - copyright by David Keith Smith, 1989
1dyr-.pdb
1DYR OXIDO-REDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 205
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 2 ASN N 0 0 999.9 -27.4 -172.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
2 3 GLN Q + 0 0 -114.4 177.4 177.5 94.6 999.9 118.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
3 4 GLN Q S S S+ 0 0 148.5 -95.1 -170.2 51.8 70.4 147.8 0 0.0 0 0.0 0 0.0 0 0.0 4 31
4 5 LYS K S S S- 0 0 -75.1 159.3 173.7 -107.4 76.6 98.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
5 6 SER S e - 0 0 -80.7 156.0 174.8 -121.6 31.0 116.8 0 0.0 119 -0.5 0 0.0 0 0.0 9 42
6 7 LEU L E E Aab - 119 137 -99.4 142.9 172.5 -157.5 18.8 145.3 136 -2.7 138 -1.7 0 0.0 139 -0.8 12 54
7 8 THR T E E Aab - 120 139 -119.0 130.6 178.2 -152.6 5.4 165.8 119 -1.7 121 -2.6 0 0.0 0 0.0 13 57
8 9 LEU L E E Aab - 121 140 -100.9 139.1 174.0 -163.7 6.8 154.1 139 -2.4 141 -2.6 0 0.0 0 0.0 13 61
9 10 ILE I E E A b + 0 141 -126.8 130.8 -171.8 155.7 20.0 175.8 121 -2.1 0 0.0 0 0.0 0 0.0 11 65
10 11 VAL V E E A b - 0 142 -152.1 149.0 172.1 -145.3 35.4 165.1 141 -2.2 143 -1.8 0 0.0 0 0.0 11 67
11 12 ALA A E E A b + 0 143 -117.9 123.8 -171.1 166.6 37.4 174.1 0 0.0 0 0.0 0 0.0 0 0.0 9 65
12 13 LEU L E E A b - 0 144 -141.7 151.7 173.3 -120.1 35.2 166.0 143 -2.7 145 -2.7 0 0.0 0 0.0 13 56
13 14 THR T E E A b> T - 0 145 -80.6 164.9 173.9 -99.3 45.4 114.0 17 -1.8 16 -2.3 0 0.0 0 0.0 13 47
14 15 THR T T e 3 TS+ 0 0 -57.7 -16.5 174.5 58.7 127.7 48.3 145 -1.4 0 0.0 0 0.0 0 0.0 10 36
15 16 SER S T T 3 TS- 0 0 -93.6 10.7 -179.5 -111.3 120.0 79.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
16 17 TYR Y e < T + 0 0 68.0 17.2 177.3 153.6 64.3 52.5 13 -2.3 155 -3.4 0 0.0 0 0.0 9 40
17 18 GLY G E E BC + 154 0 -75.3 140.8 -176.3 173.8 16.7 127.5 0 0.0 13 -1.8 0 0.0 0 0.0 14 42
18 19 ILE I E E B* - 0 0 -127.5 -15.6 174.2 -8.6 54.4 58.1 153 -3.1 0 0.0 0 0.0 0 0.0 15 51
19 20 GLY G E E BC - 153 0 -169.9 178.9 -179.6 -151.4 43.1 164.5 153 -1.3 152 -2.0 0 0.0 153 -1.3 12 44
20 21 ARG R B B A > TS+ 23 0 -156.8 129.4 169.6 3.1 81.5 151.6 23 -2.3 23 -1.1 0 0.0 0 0.0 11 30
21 22 SER S T T 3 TS- 0 0 62.5 35.6 176.6 -61.2 126.8 32.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
22 23 ASN N T T 3 TS+ 0 0 58.7 34.0 175.7 80.8 122.9 35.1 0 0.0 0 0.0 0 0.0 0 0.0 8 29
23 24 SER S B B A < TS- 20 0 -147.7 171.5 165.2 -87.3 90.3 158.6 20 -1.1 20 -2.3 0 0.0 0 0.0 7 35
24 25 LEU L - 0 0 -78.7 133.7 174.6 -141.2 28.7 134.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
25 26 PRO P S S S+ 0 0 -77.3 10.4 179.3 64.4 82.1 68.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
26 27 TRP W - 0 0 -137.5 150.1 174.5 -147.4 66.9 169.6 0 0.0 28 -0.6 0 0.0 0 0.0 4 40
27 28 LYS K + 0 0 -113.1 103.8 -171.1 165.0 30.9 161.4 0 0.0 29 -0.5 0 0.0 0 0.0 6 33
28 29 LEU L h > T - 0 0 -133.0 96.6 -177.6 -174.1 18.0 151.5 26 -0.6 32 -1.9 0 0.0 0 0.0 8 36
29 30 LYS K H H > TS+ 0 0 -57.4 -52.2 -177.8 44.6 87.0 27.3 27 -0.5 33 -1.6 0 0.0 0 0.0 7 26
30 31 LYS K H H > TS+ 0 0 -69.8 -23.9 -179.8 60.3 107.5 45.7 0 0.0 34 -1.8 0 0.0 0 0.0 6 32
31 32 GLU E H H > TS+ 0 0 -71.0 -42.2 179.2 46.6 106.3 22.0 0 0.0 35 -2.5 0 0.0 0 0.0 8 44
32 33 ILE I H H X TS+ 0 0 -68.1 -34.7 178.5 52.4 110.6 30.1 28 -1.9 36 -2.6 0 0.0 0 0.0 8 42
33 34 SER S H H X TS+ 0 0 -70.4 -37.2 171.0 49.4 109.6 28.2 29 -1.6 37 -2.5 0 0.0 0 0.0 8 32
34 35 TYR Y H H X TS+ 0 0 -58.3 -53.0 -177.9 50.7 110.4 15.6 30 -1.8 38 -2.9 0 0.0 0 0.0 8 42
35 36 PHE F H H X TS+ 0 0 -46.7 -51.8 -178.1 47.0 112.8 21.5 31 -2.5 39 -2.6 0 0.0 0 0.0 8 58
36 37 LYS K H H X TS+ 0 0 -58.1 -50.7 176.4 48.4 112.2 26.9 32 -2.6 40 -1.1 0 0.0 0 0.0 8 45
37 38 ARG R H H X TS+ 0 0 -55.3 -51.6 -172.8 45.8 114.2 22.7 33 -2.5 41 -1.7 0 0.0 0 0.0 8 42
38 39 VAL V H H < TS+ 0 0 -66.6 -45.1 -173.7 44.4 115.2 24.9 34 -2.9 0 0.0 0 0.0 0 0.0 8 52
39 40 THR T H H < TS+ 0 0 -75.4 -14.9 -175.7 45.2 118.6 47.5 35 -2.6 0 0.0 0 0.0 0 0.0 11 55
40 41 SER S H H < TS+ 0 0 -101.0 -24.4 -174.4 113.8 82.2 45.5 36 -1.1 0 0.0 0 0.0 0 0.0 10 45
41 42 PHE F h < T + 0 0 -61.5 127.1 164.9 163.4 30.4 110.8 37 -1.7 0 0.0 0 0.0 0 0.0 9 44
42 43 VAL V - 0 0 -133.8 133.4 175.3 -96.6 47.7 165.4 0 0.0 0 0.0 0 0.0 0 0.0 10 36
43 44 PRO P - 0 0 -46.2 143.6 -174.0 -116.3 35.5 94.7 0 0.0 0 0.0 0 0.0 0 0.0 7 26
44 45 THR T S g > TS+ 0 0 -56.0 -47.8 179.6 52.0 113.0 29.4 0 0.0 47 -1.5 0 0.0 0 0.0 6 18
45 46 PHE F G G > TS+ 0 0 -51.6 -49.5 -177.7 42.1 115.8 21.1 0 0.0 48 -0.6 0 0.0 0 0.0 5 14
46 47 ASP D G G > 3 TS+ 0 0 -76.4 -1.3 -168.1 99.1 90.8 63.0 0 0.0 50 -2.5 0 0.0 0 0.0 8 19
47 48 SER S G G 4 < TS+ 0 0 -72.5 -15.7 -172.8 53.0 74.4 59.5 44 -1.5 0 0.0 0 0.0 0 0.0 9 23
48 49 PHE F T g 4 < TS+ 0 0 -83.2 -51.7 -179.1 28.1 122.1 22.3 45 -0.6 0 0.0 0 0.0 0 0.0 6 20
49 50 GLU E T e 4 TS+ 0 0 -68.8 -58.2 -163.9 72.9 109.2 19.5 0 0.0 115 -0.9 0 0.0 0 0.0 8 27
50 51 SER S E E A e T - 0 79 -70.2 157.1 -175.0 -109.4 40.1 106.6 123 -2.1 61 -2.5 0 0.0 0 0.0 13 52
58 59 ARG R H H > TS+ 0 0 -62.5 -42.2 179.9 53.2 116.9 31.0 79 -0.9 62 -2.2 0 0.0 0 0.0 9 46
59 60 LYS K H H > TS+ 0 0 -67.9 -32.4 170.6 49.6 109.1 36.6 0 0.0 63 -1.2 0 0.0 0 0.0 8 39
60 61 THR T H H > TS+ 0 0 -64.5 -49.3 175.6 52.9 108.8 21.2 0 0.0 64 -1.3 0 0.0 0 0.0 11 43
61 62 TRP W H H < > TS+ 0 0 -49.5 -44.7 -177.0 47.4 111.2 23.7 57 -2.5 64 -0.6 0 0.0 0 0.0 9 45
62 63 GLU E H H < 3 TS+ 0 0 -69.7 -27.3 -176.6 57.5 107.5 37.4 58 -2.2 0 0.0 0 0.0 0 0.0 6 37
63 64 SER S H H < 3 TS+ 0 0 -75.4 -24.2 -175.3 101.1 80.6 46.4 59 -1.2 0 0.0 0 0.0 0 0.0 8 31
64 65 ILE I S h < < TS- 0 0 -71.9 125.1 174.9 -99.6 90.6 119.9 60 -1.3 0 0.0 61 -0.6 0 0.0 9 36
65 66 PRO P t > > T - 0 0 -41.3 121.8 -173.8 -121.8 33.3 99.8 0 0.0 68 -3.7 0 0.0 69 -0.6 6 19
66 67 LEU L T T 4 3 TS+ 0 0 -44.9 -27.3 178.0 60.2 113.4 48.0 0 0.0 0 0.0 0 0.0 0 0.0 6 17
67 68 GLN Q T T 4 3 TS+ 0 0 -68.1 -34.8 -171.2 50.1 102.3 46.4 0 0.0 0 0.0 0 0.0 0 0.0 5 11
68 69 PHE F T T 4 < TS+ 0 0 -91.8 -4.1 -174.1 137.5 91.6 68.1 65 -3.7 0 0.0 0 0.0 0 0.0 8 27
69 70 ARG R t < T + 0 0 -106.8 126.7 2.4 24.7 57.2 150.6 65 -0.6 0 0.0 0 0.0 0 0.0 8 34
70 71 PRO P S S S- 0 0 -85.8 168.0 -179.4 -109.8 98.7 54.3 0 0.0 72 -0.6 0 0.0 0 0.0 7 38
71 72 LEU L t > T - 0 0 -66.1 110.5 -173.4 -121.9 41.6 114.0 0 0.0 74 -1.6 0 0.0 0 0.0 8 45
72 73 LYS K T T 3 TS+ 0 0 -62.2 132.4 172.0 9.4 85.4 100.1 70 -0.6 0 0.0 0 0.0 0 0.0 6 34
73 74 GLY G T T 3 TS+ 0 0 81.2 6.5 175.1 96.2 110.2 58.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
74 75 ARG R S t < TS- 0 0 -125.3 142.1 170.9 -117.8 79.7 163.2 71 -1.6 76 -0.7 0 0.0 0 0.0 11 45
75 76 ILE I E E Ae - 53 0 -75.3 117.9 -177.7 -154.5 39.0 139.5 52 -3.1 54 -2.7 0 0.0 0 0.0 10 51
76 77 ASN N E E Ae - 54 0 -100.6 133.0 175.2 -176.4 15.7 144.0 74 -0.7 92 -1.7 0 0.0 0 0.0 12 54
77 78 VAL V E E Aef - 55 92 -125.6 134.2 171.9 -153.9 11.5 177.0 54 -2.4 56 -2.1 0 0.0 0 0.0 13 61
78 79 VAL V E E Aef - 56 93 -105.7 130.9 -178.3 -143.5 10.6 159.5 92 -2.5 94 -1.9 0 0.0 0 0.0 13 56
79 80 ILE I E E Aef + 57 94 -95.1 128.0 -173.0 141.4 40.4 137.9 56 -2.8 58 -0.9 0 0.0 0 0.0 15 50
80 81 THR T e - 0 0 -163.7 135.4 168.5 -159.7 43.9 155.0 94 -2.6 0 0.0 0 0.0 0 0.0 11 39
81 82 ARG R S t > TS+ 0 0 -82.7 -34.0 -175.9 60.9 100.9 43.2 0 0.0 83 -1.1 0 0.0 84 -0.5 8 26
82 83 ASN N T T 3 T + 0 0 -84.6 41.0 -172.1 138.5 66.3 100.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
83 84 GLU E T T 3 T + 0 0 -57.5 -44.3 175.8 131.8 21.0 24.2 81 -1.1 0 0.0 0 0.0 0 0.0 10 26
84 85 SER S S t < TS+ 0 0 34.6 -93.6 172.3 4.8 82.9 92.5 81 -0.5 86 -0.6 0 0.0 0 0.0 5 16
85 86 LEU L S S S- 0 0 -117.8 84.4 163.3 -179.8 77.8 140.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
86 87 ASP D - 0 0 -57.9 164.6 170.7 -138.9 21.5 103.1 84 -0.6 0 0.0 0 0.0 0 0.0 6 28
87 88 LEU L + 0 0 -138.0 112.6 -176.4 124.4 45.5 153.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
88 89 GLY G - 0 0 -169.8 133.1 172.5 -131.2 59.5 153.9 0 0.0 90 -1.8 0 0.0 0 0.0 6 28
89 90 ASN N S S S- 0 0 -82.9 66.2 175.7 -29.1 106.6 128.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
90 91 GLY G S S S+ 0 0 89.9 19.4 165.7 135.8 101.7 45.2 88 -1.8 92 -0.5 0 0.0 0 0.0 4 26
91 92 ILE I - 0 0 -84.9 129.2 179.2 -132.5 52.7 152.4 0 0.0 0 0.0 0 0.0 0 0.0 11 39
92 93 HIS H E E Af - 77 0 -90.0 159.4 179.5 -156.0 16.5 114.3 76 -1.7 78 -2.5 90 -0.5 0 0.0 8 46
93 94 SER S E E Af - 78 0 -124.2 148.3 175.5 -176.8 12.5 158.0 0 0.0 0 0.0 0 0.0 0 0.0 11 44
94 95 ALA A E E Af - 79 0 -154.0 154.4 -166.9 -132.1 30.9 172.0 78 -1.9 80 -2.6 0 0.0 0 0.0 14 42
95 96 LYS K S S S- 0 0 -88.6 -10.3 176.3 -3.2 85.6 50.3 0 0.0 0 0.0 0 0.0 0 0.0 10 32
96 97 SER S S h > TS- 0 0 -162.6 174.8 177.7 -91.2 79.0 166.3 0 0.0 100 -2.4 0 0.0 0 0.0 9 38
97 98 LEU L H H > TS+ 0 0 -60.5 -47.4 -179.5 43.7 125.2 20.8 0 0.0 101 -1.9 0 0.0 0 0.0 10 53
98 99 ASP D H H > TS+ 0 0 -71.0 -32.1 176.6 54.6 111.3 34.6 0 0.0 102 -2.0 0 0.0 0 0.0 7 44
99 100 HIS H H H > TS+ 0 0 -66.1 -42.1 169.0 52.4 107.1 27.1 0 0.0 103 -2.7 0 0.0 0 0.0 10 34
100 101 ALA A H H X TS+ 0 0 -52.1 -49.2 -177.9 49.3 108.8 22.8 96 -2.4 104 -2.6 0 0.0 0 0.0 13 49
101 102 LEU L H H X TS+ 0 0 -67.1 -40.3 172.0 48.1 111.4 28.1 97 -1.9 105 -1.8 0 0.0 0 0.0 10 49
102 103 GLU E H H X TS+ 0 0 -64.4 -43.3 175.0 53.0 110.8 25.9 98 -2.0 106 -2.1 0 0.0 0 0.0 10 31
103 104 LEU L H H X TS+ 0 0 -53.5 -53.1 -179.8 44.7 111.4 19.2 99 -2.7 107 -2.8 0 0.0 0 0.0 9 37
104 105 LEU L H H X TS+ 0 0 -59.7 -39.5 -176.9 52.4 111.6 32.1 100 -2.6 108 -2.0 0 0.0 0 0.0 8 49
105 106 TYR Y H H < TS+ 0 0 -68.9 -35.7 173.7 42.2 115.5 25.5 101 -1.8 0 0.0 0 0.0 0 0.0 9 38
106 107 ARG R H H < > TS+ 0 0 -70.5 -46.0 -178.7 43.0 118.7 27.0 102 -2.1 109 -0.6 0 0.0 0 0.0 7 26
107 108 THR T H H < 3 TS+ 0 0 -70.5 -30.6 -168.0 42.6 119.4 39.1 103 -2.8 0 0.0 0 0.0 0 0.0 7 30
108 109 TYR Y T h < 3 TS+ 0 0 -126.7 50.3 174.6 140.6 80.6 117.7 104 -2.0 0 0.0 0 0.0 0 0.0 12 35
109 110 GLY G S t X TS- 0 0 -75.6 -175.9 177.0 -74.1 75.6 94.9 106 -0.6 112 -0.5 0 0.0 0 0.0 8 23
110 111 SER S T T 3 TS+ 0 0 -70.5 12.2 170.0 63.4 131.5 78.7 0 0.0 0 0.0 0 0.0 0 0.0 6 16
111 112 GLU E T T 3 TS+ 0 0 -89.6 -52.9 -172.9 94.1 86.0 40.6 0 0.0 0 0.0 0 0.0 0 0.0 5 14
112 113 SER S t < T - 0 0 -49.7 139.0 172.1 -147.8 68.4 88.2 109 -0.5 0 0.0 0 0.0 0 0.0 8 19
113 114 SER S S S S+ 0 0 -75.4 -24.4 178.2 67.8 91.5 46.4 0 0.0 115 -0.5 0 0.0 0 0.0 7 21
114 115 VAL V - 0 0 -105.0 119.5 174.7 -175.4 68.5 158.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
115 116 GLN Q E E A d - 0 50 -107.6 150.9 -174.2 -114.3 25.4 140.6 49 -0.9 51 -2.3 113 -0.5 0 0.0 11 37
116 117 ILE I E E A d + 0 51 -95.9 140.4 175.5 177.4 28.0 138.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48
117 118 ASN N E E A * - 0 0 -98.3 -81.6 179.1 -2.9 65.6 34.3 51 -2.6 0 0.0 0 0.0 0 0.0 9 46
118 119 ARG R E E A * - 0 0 -113.7 152.6 174.4 -144.5 59.2 151.0 0 0.0 53 -2.9 0 0.0 0 0.0 11 53
119 120 ILE I E E Aad - 6 53 -116.0 128.6 -177.5 -169.8 17.9 165.7 5 -0.5 7 -1.7 0 0.0 0 0.0 13 63
120 121 PHE F E E Aad - 7 54 -115.8 141.8 169.6 -145.8 18.2 155.6 53 -3.0 55 -2.5 0 0.0 122 -0.5 13 62
121 122 VAL V E E Aad - 8 55 -101.7 123.6 -173.8 -178.3 19.9 166.4 7 -2.6 9 -2.1 0 0.0 0 0.0 14 64
122 123 ILE I e - 0 0 -112.6 8.9 172.4 -163.3 35.2 79.2 55 -2.8 0 0.0 120 -0.5 0 0.0 11 66
123 124 GLY G - 0 0 126.4 177.4 1.2 -143.5 53.3 126.5 0 0.0 57 -2.1 0 0.0 0 0.0 13 60
124 125 GLY G h > T - 0 0 -93.0 -151.9 -171.6 -100.4 55.2 63.3 0 0.0 128 -2.3 0 0.0 0 0.0 10 52
125 126 ALA A H H > TS+ 0 0 -60.8 -48.2 175.8 52.5 119.2 23.3 0 0.0 129 -2.0 0 0.0 0 0.0 11 46
126 127 GLN Q H H > TS+ 0 0 -52.4 -53.8 175.2 42.3 113.9 17.8 0 0.0 130 -1.7 0 0.0 0 0.0 8 40
127 128 LEU L H H > TS+ 0 0 -61.9 -37.1 177.6 57.4 110.5 32.0 0 0.0 131 -2.6 0 0.0 0 0.0 11 51
128 129 TYR Y H H X TS+ 0 0 -59.9 -35.6 -178.4 55.0 103.2 31.7 124 -2.3 132 -2.3 0 0.0 0 0.0 14 54
129 130 LYS K H H X TS+ 0 0 -65.8 -48.9 168.6 44.8 110.1 22.6 125 -2.0 133 -1.1 0 0.0 0 0.0 11 39
130 131 ALA A H H < TS+ 0 0 -54.9 -45.4 -178.6 49.3 114.0 28.9 126 -1.7 0 0.0 0 0.0 0 0.0 9 41
131 132 ALA A H H < > TS+ 0 0 -68.9 -35.4 179.6 59.0 103.8 27.1 127 -2.6 134 -1.3 0 0.0 0 0.0 11 50
132 133 MET M H H < 3 TS+ 0 0 -64.5 -27.2 175.1 45.5 109.7 32.7 128 -2.3 0 0.0 0 0.0 0 0.0 8 48
133 134 ASP D T h < 3 TS+ 0 0 -83.1 -8.9 -166.2 109.7 90.1 55.8 129 -1.1 0 0.0 0 0.0 0 0.0 7 34
134 135 HIS H t X T - 0 0 -82.4 135.9 -175.9 -136.0 69.3 119.7 131 -1.3 137 -1.4 0 0.0 0 0.0 7 38
135 136 PRO P T T 3 TS+ 0 0 -70.2 -4.2 -179.7 53.3 101.0 61.8 0 0.0 0 0.0 0 0.0 0 0.0 5 29
136 137 LYS K T e 3 TS+ 0 0 -109.5 -2.7 178.5 110.2 77.2 68.9 0 0.0 6 -2.7 0 0.0 138 -0.7 8 33
137 138 LEU L E E Ab < T + 6 0 -78.9 118.3 -177.1 148.6 29.6 135.6 134 -1.4 0 0.0 0 0.0 0 0.0 13 45
138 139 ASP D E E A* + 0 0 -128.4 1.5 -170.6 50.1 49.6 63.3 6 -1.7 203 -1.6 136 -0.7 0 0.0 11 41
139 140 ARG R E E AbG - 7 202 -154.9 142.2 -178.6 -164.9 49.1 175.3 6 -0.8 8 -2.4 0 0.0 0 0.0 11 49
140 141 ILE I E E AbG - 8 201 -133.6 118.2 172.2 -161.5 6.5 177.5 201 -2.4 201 -3.0 0 0.0 142 -0.7 11 62
141 142 MET M E E AbG - 9 200 -91.6 104.8 -177.0 -176.0 28.1 156.0 8 -2.6 10 -2.2 0 0.0 0 0.0 12 66
142 143 ALA A E E AbG - 10 199 -115.0 143.4 167.0 -155.9 27.8 154.2 199 -2.6 199 -3.1 140 -0.7 144 -0.6 12 66
143 144 THR T E E AbG - 11 198 -104.8 118.1 -177.6 -149.7 22.2 168.9 10 -1.8 12 -2.7 0 0.0 145 -0.6 12 61
144 145 ILE I E E AbG - 12 197 -95.6 120.6 177.8 -158.7 5.9 148.0 197 -3.0 197 -1.9 142 -0.6 146 -0.6 12 52
145 146 ILE I E E AbG - 13 196 -102.7 120.2 -171.8 -147.4 9.4 153.4 12 -2.7 147 -1.9 143 -0.6 14 -1.4 12 46
146 147 TYR Y e + 0 0 -90.5 60.4 171.3 86.5 66.9 112.8 195 -2.6 0 0.0 144 -0.6 0 0.0 9 35
147 148 LYS K S S S- 0 0 -151.2 147.4 175.5 -125.7 76.8 171.5 145 -1.9 149 -1.4 0 0.0 0 0.0 8 32
148 149 ASP D - 0 0 -93.5 85.9 178.3 -179.6 42.0 141.7 0 0.0 0 0.0 0 0.0 0 0.0 7 28
149 150 ILE I - 0 0 -87.2 141.8 178.0 -102.5 37.5 138.6 147 -1.4 151 -0.5 0 0.0 0 0.0 7 33
150 151 HIS H + 0 0 -67.1 119.4 179.2 170.8 53.5 124.1 0 0.0 0 0.0 0 0.0 0 0.0 7 26
151 152 CYS C - 0 0 -125.4 157.8 171.9 -162.9 33.8 152.0 149 -0.5 0 0.0 0 0.0 0 0.0 10 29
152 153 ASP D S S S+ 0 0 -115.6 -0.5 -176.7 59.9 79.3 59.9 19 -2.0 0 0.0 0 0.0 0 0.0 9 25
153 154 VAL V E E BC - 19 0 -131.1 129.6 -171.7 -164.9 68.9 169.7 19 -1.3 18 -3.1 0 0.0 19 -1.3 9 38
154 155 PHE F E E BC - 17 0 -120.8 145.2 171.4 -103.6 28.8 147.6 0 0.0 0 0.0 0 0.0 0 0.0 10 39
155 156 PHE F e - 0 0 -65.8 137.8 -165.3 -132.0 37.4 126.9 16 -3.4 0 0.0 0 0.0 0 0.0 12 46
156 157 PRO P S S S+ 0 0 -79.0 -14.4 -177.7 41.8 80.8 55.8 0 0.0 0 0.0 0 0.0 0 0.0 7 39
157 158 LEU L S S S- 0 0 -137.3 127.3 -175.3 -133.0 73.6 176.5 0 0.0 159 -2.1 0 0.0 0 0.0 6 44
158 159 LYS K t > T + 0 0 -84.4 73.3 -170.4 164.8 37.9 117.0 0 0.0 161 -1.5 0 0.0 0 0.0 8 37
159 160 PHE F T T 3 T + 0 0 -66.6 -22.8 -177.2 53.6 69.0 52.2 157 -2.1 0 0.0 0 0.0 0 0.0 7 46
160 161 ARG R T T 3 TS+ 0 0 -91.4 -3.1 -170.4 93.7 92.8 59.8 0 0.0 0 0.0 0 0.0 0 0.0 7 41
161 162 ASP D S g X TS- 0 0 -95.9 166.4 -172.9 -100.6 90.0 117.1 158 -1.5 164 -1.8 0 0.0 0 0.0 7 24
162 163 LYS K G G > TS+ 0 0 -55.1 -42.6 -173.1 64.4 114.0 37.2 0 0.0 165 -1.8 0 0.0 0 0.0 5 15
163 164 GLU E G G 3 TS+ 0 0 -61.2 -19.0 179.0 38.3 110.7 42.4 0 0.0 0 0.0 0 0.0 0 0.0 5 13
164 165 TRP W G G > X TS+ 0 0 -108.9 8.7 -172.4 106.1 84.3 74.3 161 -1.8 168 -2.8 0 0.0 167 -1.4 10 23
165 166 SER S T g 4 < TS+ 0 0 -71.9 -13.2 174.7 56.0 74.5 54.8 162 -1.8 0 0.0 0 0.0 0 0.0 10 20
166 167 SER S T T 4 3 TS+ 0 0 -91.2 -11.8 178.4 33.6 118.9 51.6 0 0.0 0 0.0 0 0.0 0 0.0 6 19
167 168 VAL V T T 4 < TS+ 0 0 -101.3 -55.0 -176.4 51.1 115.6 34.1 164 -1.4 0 0.0 0 0.0 0 0.0 7 27
168 169 TRP W t < T - 0 0 -94.5 126.6 -179.1 -174.5 67.1 144.9 164 -2.8 0 0.0 0 0.0 0 0.0 11 32
169 170 LYS K E E AH - 202 0 -122.4 137.4 177.9 -127.0 23.3 161.5 202 -2.5 202 -2.4 0 0.0 0 0.0 9 30
170 171 LYS K E E AH - 201 0 -83.7 132.0 179.9 -138.0 28.9 135.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
171 172 GLU E e - 0 0 -89.1 156.0 -179.4 -95.4 23.0 121.1 200 -3.2 0 0.0 0 0.0 0 0.0 10 34
172 173 LYS K h > > T - 0 0 -69.3 153.0 -175.2 -115.1 35.0 111.8 0 0.0 176 -1.4 0 0.0 175 -1.1 7 28
173 174 HIS H H H > 3 TS+ 0 0 -57.7 -39.6 -177.4 58.6 115.4 31.2 0 0.0 177 -2.6 0 0.0 0 0.0 9 29
174 175 SER S H H > 3 TS+ 0 0 -65.0 -30.0 175.5 52.1 105.0 34.5 0 0.0 178 -1.4 0 0.0 0 0.0 6 22
175 176 ASP D H H > < TS+ 0 0 -72.6 -35.8 174.4 52.9 107.3 30.2 172 -1.1 179 -2.1 0 0.0 0 0.0 8 26
176 177 LEU L H H X TS+ 0 0 -56.1 -58.9 -177.6 47.6 109.5 17.2 172 -1.4 180 -1.9 0 0.0 0 0.0 11 38
177 178 GLU E H H X >TS+ 0 0 -55.8 -35.2 -178.4 53.5 110.0 32.7 173 -2.6 182 -1.1 0 0.0 181 -0.7 11 32
178 179 SER S H H < >5TS+ 0 0 -67.8 -43.7 -176.7 48.0 109.2 16.1 174 -1.4 181 -1.0 0 0.0 0 0.0 8 25
179 180 TRP W H H < 35TS+ 0 0 -66.9 -34.5 -178.8 39.4 117.9 30.8 175 -2.1 0 0.0 0 0.0 0 0.0 6 44
180 181 VAL V H H < 35TS- 0 0 -94.9 -0.8 177.9 -129.7 105.5 65.3 176 -1.9 0 0.0 0 0.0 0 0.0 8 43
181 182 GLY G T h < <5TS+ 0 0 58.2 29.0 174.9 75.0 72.3 48.4 178 -1.0 0 0.0 177 -0.7 0 0.0 8 30
182 183 THR T S t TS- 194 0 -151.2 125.0 173.5 -9.8 72.3 165.7 194 -1.7 194 -3.0 0 0.0 0 0.0 8 27
192 193 ASP D T T 3 TS- 0 0 53.1 34.3 176.2 -55.4 128.6 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
193 194 GLY G T T 3 TS+ 0 0 83.3 -1.4 -179.5 117.4 110.7 68.8 0 0.0 195 -0.5 0 0.0 0 0.0 5 22
194 195 PHE F E E A I< T - 0 191 -100.2 128.9 163.9 -152.0 51.3 154.0 191 -3.0 191 -1.7 0 0.0 0 0.0 10 31
195 196 ASP D E E A I + 0 190 -87.5 139.8 -179.4 162.7 29.5 148.6 193 -0.5 146 -2.6 0 0.0 0 0.0 11 32
196 197 TYR Y E E AGI - 145 189 -153.8 167.3 -172.6 -160.0 21.3 162.7 189 -2.1 189 -2.4 0 0.0 0 0.0 12 44
197 198 GLU E E E AG - 144 0 -156.2 148.1 -175.9 -118.0 20.5 173.4 144 -1.9 144 -3.0 0 0.0 0 0.0 11 46
198 199 PHE F E E AG + 143 0 -96.2 127.7 -179.9 175.3 34.3 143.5 0 0.0 0 0.0 0 0.0 0 0.0 11 55
199 200 GLU E E E AG - 142 0 -132.5 155.8 173.3 -152.7 21.5 163.5 142 -3.1 142 -2.6 0 0.0 0 0.0 12 50
200 201 MET M E E AG - 141 0 -129.3 125.5 -179.2 -175.9 15.2 171.4 0 0.0 171 -3.2 0 0.0 0 0.0 13 51
201 202 TRP W E E AGH - 140 170 -117.6 142.6 178.5 -176.6 5.0 156.7 140 -3.0 140 -2.4 0 0.0 0 0.0 12 48
202 203 THR T E E AGH - 139 169 -136.3 164.1 174.4 -163.5 9.3 153.1 169 -2.4 169 -2.5 0 0.0 0 0.0 11 41
203 204 ARG R e - 0 0 -139.4 159.4 175.4 -106.8 28.6 159.0 138 -1.6 0 0.0 0 0.0 0 0.0 9 34
204 205 ASP D 0 0 -84.0 134.1 170.8 999.9 999.9 137.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
205 206 LEU L 0 0 -78.5 999.9 999.9 999.9 999.9 35.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
1dyr-.pdb
1DYR OXIDO-REDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS EEEEEEEETT EEEBTTB S HHHHHHHHHHHH SGGGTTEEEEEEEEHHHHHHS TTT S TTSEEEEE STTSS SS EEESSHHHH Kabs/Sand
chirality ++-----+-+--+-++--+-+--+-+-+++++++++++++--+++++++----+--++++++--++++--++-----+-++++--+--+------++++ chirality
bends SS SS SSSS S SSSSSSSSSSSS SSSSSS SSSSSSS SSS S SSS S SS SS SSSSSS bends
turns TTTT TTTT TTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTT TTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< >33<>33< >33< >33< 3-turns
bridge-2 bbbbbbbb eeeee fff bridge-2
bridge-1 aaa C*CA A dd*ddd eeeee fff bridge-1
sheets AAAAAAAA BBB AAAAAAAA AAAAA AAA sheets
4-turns >>>>XXXXXX<<<< >444< >>>><<<<>444< >>>>X 4-turns
summary SSeEEEEEEEEeTeEEEBTTB S hHHHHHHHHHHHHh gGGGgeEEEEEEEEHHHHHHhtTTTtStTTtEEEEEetTTtS SS EEEShHHHH summary
sequence NQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHTSTT S EEEEEEE HHHHHHHHT TTEEEEEEEEE S SEE SS TTSGGGTTT EE HHHHHHHHTS S EEETTEEEEEEE Kabs/Sand
chirality ++++++++-++-+--+--------+++++++++-++++-------+---+-+---+-+++-++++++-----+++++++-+--------+--+-+--+-- chirality
bends SSSSSSSSSSS S SSSSSSSSS SS S S SS SSSSSSSS SSSSSSSSSS S SSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33X33< >33X>3X<3< >33< >33< >33< 3-turns
bridge-2 dd**ddd GGGGGGG III bridge-2
bridge-1 aaa b*bbbbbbb CC HH III GGGGG bridge-1
sheets AAAAAAA AAAAAAAAA BB AA AAA AAAAAAA sheets
4-turns XXXX<<<< >>>>XX<<<< >444< >>>>XX<<<< 4-turns
summary HHHHHHHhtTTtS EEEEEEEe hHHHHHHHHhtTeEEEEEEEEEeS SEEeSStTTgGGGgTTtEEehHHHHHHHHht S EEETTEEEEEEE summary
sequence LELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEM sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE Kabs/Sand
chirality --- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 HH bridge-2
bridge-1 GG bridge-1
sheets AA sheets
4-turns 4-turns
summary EEe summary
sequence WTRDL sequence