Secondary structure calculation program - copyright by David Keith Smith, 1989
1kygA.pdb
1KYG OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 166
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 SER S 0 0 999.9 177.3 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 24
2 A 2 LEU L t > T + 0 0 -83.3 6.6 -177.9 146.6 999.9 71.9 0 0.0 5 -1.7 0 0.0 0 0.0 7 30
3 A 3 ILE I T T 3 TS+ 0 0 -49.8 136.5 179.0 4.5 70.4 94.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
4 A 4 ASN N T T 3 TS+ 0 0 61.3 20.4 175.4 121.9 100.3 45.5 130 -2.7 0 0.0 0 0.0 0 0.0 7 24
5 A 5 THR T t < T - 0 0 -105.4 166.7 -178.1 -103.9 67.0 137.2 2 -1.7 130 -2.7 0 0.0 0 0.0 7 23
6 A 6 LYS K B B A - 129 0 -91.0 138.5 179.8 -106.0 38.2 134.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
7 A 7 ILE I - 0 0 -63.8 149.4 180.0 -118.3 35.3 106.1 128 -2.6 0 0.0 0 0.0 0 0.0 11 46
8 A 8 LYS K - 0 0 -85.2 155.3 179.9 -89.6 34.5 118.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37
9 A 9 PRO P + 0 0 -62.1 145.3 179.8 171.0 53.5 107.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
10 A 10 PHE F e - 0 0 -156.3 158.4 179.0 -159.1 27.7 176.1 0 0.0 25 -0.8 0 0.0 0 0.0 9 34
11 A 11 LYS K E E AA + 24 0 -144.7 108.3 -179.0 154.4 28.0 152.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
12 A 12 ASN N E E AA - 23 0 -132.2 163.0 178.2 -122.2 38.1 152.2 23 -2.5 23 -2.3 0 0.0 0 0.0 11 44
13 A 13 GLN Q E E AAB + 22 97 -101.2 151.0 -179.4 176.3 36.0 139.6 97 -0.6 97 -3.1 0 0.0 0 0.0 13 42
14 A 14 ALA A E E AAB - 21 96 -148.4 171.6 179.5 -116.9 30.9 156.2 21 -2.2 21 -1.8 0 0.0 16 -0.5 15 49
15 A 15 PHE F E E AAB + 20 95 -120.8 119.8 -179.0 173.6 30.8 168.5 95 -2.0 95 -1.9 0 0.0 0 0.0 15 43
16 A 16 LYS K E E AA > T - 19 0 -130.7 109.2 179.6 -32.6 67.1 163.6 19 -1.8 19 -0.8 14 -0.5 0 0.0 11 39
17 A 17 ASN N T T 3 TS- 0 0 43.4 72.4 -179.8 -35.6 126.3 22.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
18 A 18 GLY G T T 3 TS+ 0 0 64.4 9.9 -178.7 102.5 123.0 55.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
19 A 19 GLU E E E AA < T - 16 0 -124.0 161.0 175.9 -137.1 65.6 145.8 16 -0.8 16 -1.8 0 0.0 21 -0.5 6 29
20 A 20 PHE F E E AA + 15 0 -114.9 118.6 179.7 170.3 34.9 167.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
21 A 21 ILE I E E AA - 14 0 -124.4 166.4 176.9 -121.1 31.5 142.3 14 -1.8 14 -2.2 19 -0.5 0 0.0 8 32
22 A 22 GLU E E E AA - 13 0 -102.8 155.3 -178.5 -163.8 26.0 139.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
23 A 23 VAL V E E AA + 12 0 -142.7 132.4 178.5 165.3 13.4 172.6 12 -2.3 12 -2.5 0 0.0 0 0.0 12 39
24 A 24 THR T E E AA > T - 11 0 -134.7 178.3 -179.5 -91.2 55.1 143.3 0 0.0 27 -1.2 0 0.0 0 0.0 10 39
25 A 25 GLU E G e > > TS+ 0 0 -64.7 -26.6 179.0 69.1 120.7 35.2 10 -0.8 28 -1.9 0 0.0 29 -1.0 11 41
26 A 26 LYS K G G 4 3 TS+ 0 0 -58.4 -32.9 -179.8 62.6 90.5 32.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
27 A 27 ASP D G G 4 < TS+ 0 0 -65.6 -18.8 -178.9 46.6 105.1 46.9 24 -1.2 0 0.0 0 0.0 0 0.0 6 36
28 A 28 THR T T g 4 X TS+ 0 0 -97.5 -19.3 -178.3 114.9 82.6 49.0 25 -1.9 31 -2.2 0 0.0 0 0.0 12 40
29 A 29 GLU E T T < 3 TS+ 0 0 -56.7 138.6 -177.5 11.5 86.6 102.8 25 -1.0 0 0.0 0 0.0 0 0.0 9 31
30 A 30 GLY G T T 3 TS+ 0 0 68.3 10.5 179.1 91.9 116.6 54.7 126 -2.4 0 0.0 0 0.0 0 0.0 7 26
31 A 31 ARG R S t < TS- 0 0 -127.1 170.0 173.6 -114.5 78.5 144.7 28 -2.2 0 0.0 0 0.0 0 0.0 11 38
32 A 32 TRP W E E Ac - 65 0 -100.6 135.3 -179.9 -165.8 41.9 154.5 64 -1.5 66 -3.2 0 0.0 0 0.0 12 51
33 A 33 SER S E E AcD - 66 124 -129.7 145.3 174.6 -158.7 22.3 163.8 124 -3.2 124 -3.1 0 0.0 35 -0.5 14 59
34 A 34 VAL V E E AcD - 67 123 -117.9 118.6 176.9 -162.3 9.2 168.6 66 -2.6 68 -2.5 0 0.0 36 -0.7 12 76
35 A 35 PHE F E E AcD - 68 122 -102.7 112.6 -177.3 -168.3 10.6 157.9 122 -2.5 122 -2.0 33 -0.5 37 -0.7 12 76
36 A 36 PHE F E E AcD - 69 121 -106.9 107.1 -178.9 -166.5 2.8 154.0 68 -3.5 70 -3.2 34 -0.7 0 0.0 12 70
37 A 37 PHE F E E AcD + 70 120 -96.8 141.3 174.2 168.1 12.0 139.0 120 -2.7 120 -0.6 35 -0.7 0 0.0 13 67
38 A 38 TYR Y e - 0 0 -141.7 162.3 -179.0 -116.2 37.2 161.5 70 -2.3 0 0.0 0 0.0 0 0.0 12 66
39 A 39 PRO P S S S- 0 0 -65.4 -55.2 -175.4 -13.8 77.3 19.4 0 0.0 72 -0.5 0 0.0 0 0.0 10 54
40 A 40 ALA A t > T - 0 0 -158.5 146.2 175.4 -123.5 51.6 174.1 0 0.0 43 -0.6 0 0.0 0 0.0 10 49
41 A 41 ASP D T T 3 TS+ 0 0 -76.1 172.7 176.4 26.1 93.0 106.5 0 0.0 0 0.0 0 0.0 0 0.0 9 49
42 A 42 PHE F T T 3 TS+ 0 0 48.8 22.4 179.6 136.7 87.5 53.2 0 0.0 0 0.0 0 0.0 0 0.0 5 36
43 A 43 THR T t < T - 0 0 -91.6 178.1 -179.1 -103.4 66.9 114.1 40 -0.6 0 0.0 0 0.0 0 0.0 5 28
44 A 44 PHE F S S S+ 0 0 -70.7 -29.3 179.5 96.7 87.1 41.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
45 A 45 VAL V S S S- 0 0 -64.9 146.3 178.8 -99.2 87.5 109.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
46 A 46 CYS C - 0 0 -65.3 132.8 179.8 -129.1 24.8 117.8 0 0.0 48 -1.6 0 0.0 0 0.0 4 30
47 A 47 PRO P h > T + 0 0 -79.3 44.0 179.7 138.4 63.8 99.6 0 0.0 51 -2.0 0 0.0 0 0.0 8 43
48 A 48 THR T H H > T + 0 0 -55.6 -49.8 -179.9 49.5 65.5 27.2 46 -1.6 52 -2.7 0 0.0 0 0.0 6 38
49 A 49 GLU E H H > TS+ 0 0 -62.4 -40.9 -179.5 47.6 112.2 27.1 0 0.0 53 -1.8 0 0.0 0 0.0 10 56
50 A 50 LEU L H H > TS+ 0 0 -67.4 -35.6 -179.0 46.6 115.2 31.6 0 0.0 54 -0.7 0 0.0 0 0.0 11 57
51 A 51 GLY G H H X TS+ 0 0 -72.8 -45.2 178.0 53.3 108.2 27.9 47 -2.0 55 -2.5 0 0.0 0 0.0 12 42
52 A 52 ASP D H H X TS+ 0 0 -55.6 -48.8 179.2 48.3 110.6 20.0 48 -2.7 56 -2.1 0 0.0 0 0.0 10 38
53 A 53 VAL V H H < TS+ 0 0 -62.7 -28.3 179.8 55.0 109.8 36.0 49 -1.8 0 0.0 0 0.0 0 0.0 9 53
54 A 54 ALA A H H < > TS+ 0 0 -71.4 -43.0 178.9 51.1 104.7 25.0 50 -0.7 57 -1.4 0 0.0 0 0.0 11 46
55 A 55 ASP D H H < > TS+ 0 0 -58.5 -50.1 179.0 45.9 112.8 16.5 51 -2.5 58 -0.8 0 0.0 0 0.0 7 33
56 A 56 HIS H T h X 3 TS+ 0 0 -76.5 13.7 -178.1 97.5 87.3 75.2 52 -2.1 60 -2.0 0 0.0 0 0.0 10 41
57 A 57 TYR Y H H > < TS+ 0 0 -75.0 -28.3 -179.8 56.5 74.8 38.6 54 -1.4 61 -2.0 0 0.0 0 0.0 10 45
58 A 58 GLU E H H > < TS+ 0 0 -63.0 -48.9 178.2 43.1 113.1 20.0 55 -0.8 62 -1.2 0 0.0 0 0.0 7 25
59 A 59 GLU E H H > TS+ 0 0 -61.1 -50.0 -179.7 54.8 109.5 26.6 0 0.0 63 -1.7 0 0.0 0 0.0 7 30
60 A 60 LEU L H H < >TS+ 0 0 -54.8 -43.4 -178.4 49.1 110.1 23.6 56 -2.0 65 -2.4 0 0.0 0 0.0 11 45
61 A 61 GLN Q H H < >5TS+ 0 0 -68.9 -28.7 178.3 58.9 103.3 35.2 57 -2.0 64 -1.2 0 0.0 0 0.0 9 31
62 A 62 LYS K H H < 35TS+ 0 0 -64.9 -34.1 -179.1 49.4 107.6 29.9 58 -1.2 0 0.0 0 0.0 0 0.0 7 24
63 A 63 LEU L T h < 35TS- 0 0 -84.4 1.4 -179.7 -107.8 123.1 68.3 59 -1.7 0 0.0 0 0.0 0 0.0 6 33
64 A 64 GLY G T e <5TS+ 0 0 75.5 30.7 179.9 145.6 70.9 33.5 61 -1.2 32 -1.5 0 0.0 66 -0.5 8 34
65 A 65 VAL V E E Ac T - 0 0 -89.8 167.4 176.1 -111.5 22.4 116.2 0 0.0 78 -1.9 0 0.0 0 0.0 13 45
75 A 75 HIS H H H > TS+ 0 0 -63.1 -36.8 179.2 61.3 119.2 26.9 0 0.0 79 -2.7 0 0.0 0 0.0 14 44
76 A 76 PHE F H H > TS+ 0 0 -55.8 -44.8 -179.1 47.2 105.0 22.8 0 0.0 80 -1.8 0 0.0 0 0.0 8 34
77 A 77 THR T H H > TS+ 0 0 -67.2 -37.6 178.9 54.3 108.5 25.1 0 0.0 81 -3.1 0 0.0 0 0.0 9 39
78 A 78 HIS H H H X TS+ 0 0 -60.5 -45.0 178.6 51.6 106.7 17.6 74 -1.9 82 -3.1 0 0.0 0 0.0 15 51
79 A 79 LYS K H H X TS+ 0 0 -55.7 -41.0 -179.7 46.4 112.8 24.4 75 -2.7 83 -0.7 0 0.0 0 0.0 10 42
80 A 80 ALA A H H < > TS+ 0 0 -68.9 -43.2 179.8 48.2 112.6 24.8 76 -1.8 83 -0.8 0 0.0 0 0.0 8 34
81 A 81 TRP W H H X > TS+ 0 0 -64.1 -37.1 -179.1 59.0 105.8 27.9 77 -3.1 85 -1.7 0 0.0 84 -1.5 11 46
82 A 82 HIS H H H < 3 TS+ 0 0 -63.9 -22.0 -179.3 52.0 105.5 45.3 78 -3.1 0 0.0 0 0.0 0 0.0 11 43
83 A 83 SER S T h < < TS+ 0 0 -96.7 1.7 -178.4 37.3 114.4 67.3 80 -0.8 0 0.0 79 -0.7 0 0.0 9 26
84 A 84 SER S T T 4 < TS+ 0 0 -127.9 -17.7 178.8 70.7 100.1 54.6 81 -1.5 0 0.0 0 0.0 0 0.0 8 24
85 A 85 SER S h X T - 0 0 -103.3 133.0 -179.7 -152.9 63.0 153.4 81 -1.7 89 -1.6 0 0.0 0 0.0 8 28
86 A 86 GLU E H H > TS+ 0 0 -68.6 -41.5 177.4 49.3 100.0 24.6 0 0.0 90 -0.9 0 0.0 0 0.0 8 25
87 A 87 THR T H H 4 > TS+ 0 0 -60.1 -56.6 -179.4 44.3 112.8 15.7 0 0.0 90 -1.3 0 0.0 0 0.0 9 34
88 A 88 ILE I H H 4 > TS+ 0 0 -60.7 -28.0 -178.9 66.6 105.0 35.0 0 0.0 91 -1.9 0 0.0 0 0.0 13 48
89 A 89 ALA A H H < 3 TS+ 0 0 -63.1 -30.6 -179.7 61.2 91.5 34.6 85 -1.6 0 0.0 0 0.0 0 0.0 9 37
90 A 90 LYS K T h < < TS+ 0 0 -79.0 6.1 179.5 110.7 81.5 63.3 87 -1.3 0 0.0 86 -0.9 0 0.0 8 35
91 A 91 ILE I t < T + 0 0 -84.1 123.1 179.8 167.0 33.2 131.7 88 -1.9 0 0.0 0 0.0 0 0.0 11 47
92 A 92 LYS K + 0 0 -112.4 -7.3 178.4 89.0 49.8 58.3 0 0.0 0 0.0 0 0.0 0 0.0 7 44
93 A 93 TYR Y S S S- 0 0 -82.9 167.2 -179.3 -78.2 93.5 114.7 0 0.0 0 0.0 0 0.0 0 0.0 12 54
94 A 94 ALA A E E A e - 0 68 -69.3 137.6 179.0 -150.8 34.0 114.0 67 -0.9 69 -2.0 0 0.0 96 -0.7 11 58
95 A 95 MET M E E ABe - 15 69 -110.3 102.4 -177.8 -151.9 20.0 158.7 15 -1.9 15 -2.0 0 0.0 0 0.0 12 65
96 A 96 ILE I E E ABe - 14 70 -81.1 140.1 178.4 -143.0 3.2 124.6 69 -2.8 71 -1.1 94 -0.7 0 0.0 16 62
97 A 97 GLY G E E ABe - 13 71 -100.8 131.1 -178.7 -179.6 17.5 151.3 13 -3.1 13 -0.6 0 0.0 0 0.0 15 53
98 A 98 ASP D e > T + 0 0 -128.8 56.0 -179.7 153.6 17.6 111.6 71 -2.0 101 -1.8 73 -1.2 0 0.0 16 53
99 A 99 PRO P T T 3 TS+ 0 0 -55.6 -33.2 177.4 49.4 77.8 37.2 0 0.0 0 0.0 0 0.0 0 0.0 9 40
100 A 100 THR T T T 3 TS- 0 0 -81.4 -8.7 -179.6 -131.8 105.3 54.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
101 A 101 GLY G h > < T + 0 0 69.5 16.5 -179.3 128.2 69.1 47.6 98 -1.8 105 -2.2 0 0.0 0 0.0 10 40
102 A 102 ALA A H H > TS+ 0 0 -70.7 -45.9 178.6 45.0 72.5 20.3 0 0.0 106 -2.1 0 0.0 0 0.0 9 37
103 A 103 LEU L H H > TS+ 0 0 -60.4 -48.5 -178.5 49.5 115.3 19.0 0 0.0 107 -1.4 0 0.0 0 0.0 9 54
104 A 104 THR T H H 4 >TS+ 0 0 -59.4 -42.7 178.7 46.3 112.7 26.1 0 0.0 109 -2.8 0 0.0 0 0.0 15 53
105 A 105 ARG R H H < >5TS+ 0 0 -73.4 -27.3 177.5 65.6 101.0 34.6 101 -2.2 108 -2.4 0 0.0 0 0.0 9 41
106 A 106 ASN N H H < 35TS+ 0 0 -56.4 -38.1 179.9 42.1 108.3 22.5 102 -2.1 0 0.0 0 0.0 0 0.0 9 44
107 A 107 PHE F T h < 35TS- 0 0 -91.5 18.0 -178.3 -120.2 115.6 85.8 103 -1.4 0 0.0 0 0.0 0 0.0 8 53
108 A 108 ASP D T T <5TS+ 0 0 43.2 43.0 -175.2 129.2 75.9 34.8 105 -2.4 0 0.0 0 0.0 0 0.0 6 42
109 A 109 ASN N t > T - 0 0 -80.6 94.2 -175.8 -164.6 25.4 141.2 116 -2.8 114 -2.0 0 0.0 115 -1.8 9 34
112 A 112 GLU E T T 4 3 TS+ 0 0 -56.3 -34.2 -179.4 56.4 79.4 36.5 110 -1.3 0 0.0 0 0.0 0 0.0 6 24
113 A 113 ASP D T T 4 3 TS+ 0 0 -79.9 2.3 179.5 33.0 119.3 63.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
114 A 114 GLU E T T 4 < TS- 0 0 -128.3 -16.7 -177.0 -131.4 94.5 57.9 111 -2.0 0 0.0 0 0.0 0 0.0 5 22
115 A 115 GLY G S t < TS+ 0 0 66.2 20.3 -179.4 117.6 72.2 43.8 111 -1.8 0 0.0 0 0.0 0 0.0 9 30
116 A 116 LEU L - 0 0 -119.0 149.4 179.4 -111.2 68.8 153.3 0 0.0 111 -2.8 0 0.0 0 0.0 12 41
117 A 117 ALA A B B B - 110 0 -76.1 150.9 175.5 -116.9 32.1 115.6 0 0.0 0 0.0 0 0.0 0 0.0 14 47
118 A 118 ASP D - 0 0 -81.4 162.5 -179.7 -91.2 38.7 118.0 109 -2.9 120 -1.4 0 0.0 0 0.0 13 46
119 A 119 ARG R E E A F S+ 0 136 -75.9 94.9 -175.7 147.3 73.0 128.0 136 -0.7 136 -3.0 0 0.0 0 0.0 12 51
120 A 120 ALA A E E ADF - 37 135 -139.4 136.3 178.2 -160.1 35.7 173.5 118 -1.4 37 -2.7 37 -0.6 0 0.0 12 54
121 A 121 THR T E E ADF - 36 134 -117.4 139.0 179.7 -168.6 8.7 158.6 134 -2.9 134 -2.7 0 0.0 0 0.0 11 63
122 A 122 PHE F E E ADF - 35 133 -128.8 128.2 178.3 -154.3 10.2 172.5 35 -2.0 35 -2.5 0 0.0 124 -0.6 13 60
123 A 123 VAL V E E ADF - 34 132 -103.2 123.3 -176.2 -171.5 18.0 154.3 132 -2.4 131 -2.7 0 0.0 132 -1.2 13 63
124 A 124 VAL V E E ADF - 33 130 -121.6 129.1 -177.7 -140.6 11.0 163.6 33 -3.1 33 -3.2 122 -0.6 0 0.0 15 56
125 A 125 ASP D e > T - 0 0 -82.2 175.3 -179.2 -87.0 36.7 99.3 129 -2.5 128 -2.7 0 0.0 0 0.0 12 49
126 A 126 PRO P T T 3 TS+ 0 0 -55.6 -23.0 178.9 51.5 128.4 43.6 0 0.0 30 -2.4 0 0.0 0 0.0 11 39
127 A 127 GLN Q T T 3 TS- 0 0 -95.9 9.4 179.2 -105.4 123.4 75.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
128 A 128 GLY G S t < TS+ 0 0 80.1 11.7 -179.0 146.3 70.9 55.7 125 -2.7 7 -2.6 0 0.0 0 0.0 10 40
129 A 129 ILE I B e A - 6 0 -86.4 134.6 179.4 -124.0 51.8 129.7 0 0.0 125 -2.5 0 0.0 131 -0.7 11 38
130 A 130 ILE I E E AF + 124 0 -78.0 115.2 -178.7 170.6 35.3 131.8 5 -2.7 4 -2.7 0 0.0 0 0.0 15 47
131 A 131 GLN Q E E A* + 0 0 -101.6 -18.3 179.2 23.7 62.3 54.1 123 -2.7 0 0.0 129 -0.7 0 0.0 11 42
132 A 132 ALA A E E AF - 123 0 -151.8 138.9 -179.3 -170.1 60.1 166.1 123 -1.2 123 -2.4 0 0.0 0 0.0 9 47
133 A 133 ILE I E E AF - 122 0 -131.1 136.6 177.3 -179.5 3.8 171.9 0 0.0 0 0.0 0 0.0 0 0.0 11 46
134 A 134 GLU E E E AF + 121 0 -137.8 127.2 -178.7 177.4 2.3 170.1 121 -2.7 121 -2.9 0 0.0 0 0.0 7 43
135 A 135 VAL V E E AF - 120 0 -132.6 136.8 -174.0 -179.0 6.3 171.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
136 A 136 THR T E E AF - 119 0 -139.2 148.9 178.4 -122.8 24.7 162.5 119 -3.0 119 -0.7 0 0.0 0 0.0 10 31
137 A 137 ALA A t > T - 0 0 -83.0 159.3 -179.5 -74.2 56.1 118.9 0 0.0 140 -2.1 0 0.0 0 0.0 7 25
138 A 138 GLU E T T 3 TS+ 0 0 -55.8 133.2 -179.4 26.7 121.9 106.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
139 A 139 GLY G T T 3 TS+ 0 0 101.2 -23.2 179.7 101.2 94.5 83.8 0 0.0 141 -0.7 0 0.0 0 0.0 4 21
140 A 140 ILE I S t < TS- 0 0 -96.9 118.3 -175.9 -135.9 71.4 150.5 137 -2.1 0 0.0 0 0.0 0 0.0 6 23
141 A 141 GLY G - 0 0 -85.5 149.5 177.3 -131.6 3.4 118.0 139 -0.7 143 -0.6 0 0.0 0 0.0 7 30
142 A 142 ARG R - 0 0 -96.9 119.5 -177.8 -139.8 24.8 149.5 0 0.0 144 -0.7 0 0.0 0 0.0 6 43
143 A 143 ASP D h > T - 0 0 -85.0 109.7 -178.1 -160.2 8.5 135.3 141 -0.6 147 -1.6 0 0.0 0 0.0 8 40
144 A 144 ALA A H H > TS+ 0 0 -63.9 -23.5 -179.0 55.3 91.8 43.2 142 -0.7 148 -1.8 0 0.0 0 0.0 10 46
145 A 145 SER S H H > TS+ 0 0 -80.3 -32.5 177.6 50.7 106.3 25.6 0 0.0 149 -2.2 0 0.0 0 0.0 7 31
146 A 146 ASP D H H > TS+ 0 0 -67.4 -26.9 178.7 54.0 109.2 33.3 0 0.0 150 -1.8 0 0.0 0 0.0 7 32
147 A 147 LEU L H H X TS+ 0 0 -70.4 -41.4 -179.8 51.8 106.0 22.2 143 -1.6 151 -2.4 0 0.0 0 0.0 8 50
148 A 148 LEU L H H X TS+ 0 0 -62.1 -42.7 177.9 52.7 106.6 24.9 144 -1.8 152 -2.3 0 0.0 0 0.0 9 45
149 A 149 ARG R H H X TS+ 0 0 -57.0 -47.6 -179.7 47.6 110.8 20.2 145 -2.2 153 -2.5 0 0.0 0 0.0 8 32
150 A 150 LYS K H H X TS+ 0 0 -61.8 -42.7 179.5 53.5 109.1 24.7 146 -1.8 154 -3.0 0 0.0 0 0.0 9 35
151 A 151 ILE I H H X TS+ 0 0 -60.1 -43.8 -179.0 47.0 110.2 21.7 147 -2.4 155 -2.2 0 0.0 0 0.0 9 46
152 A 152 LYS K H H X TS+ 0 0 -66.9 -38.9 178.4 50.4 112.2 23.8 148 -2.3 156 -3.2 0 0.0 0 0.0 8 37
153 A 153 ALA A H H X TS+ 0 0 -63.6 -40.0 -179.3 50.9 109.4 25.3 149 -2.5 157 -2.8 0 0.0 0 0.0 8 32
154 A 154 ALA A H H X TS+ 0 0 -65.4 -37.8 179.4 45.9 113.4 26.3 150 -3.0 158 -1.4 0 0.0 0 0.0 9 40
155 A 155 GLN Q H H X TS+ 0 0 -69.8 -42.5 179.9 49.9 112.3 20.7 151 -2.2 159 -2.3 0 0.0 0 0.0 8 39
156 A 156 TYR Y H H X TS+ 0 0 -60.5 -48.0 -179.1 48.0 112.0 21.3 152 -3.2 160 -3.3 0 0.0 0 0.0 8 25
157 A 157 VAL V H H < TS+ 0 0 -65.0 -29.9 179.1 52.2 109.9 35.1 153 -2.8 0 0.0 0 0.0 0 0.0 10 26
158 A 158 ALA A H H < TS+ 0 0 -70.2 -40.5 -179.2 41.1 116.5 23.1 154 -1.4 0 0.0 0 0.0 0 0.0 7 30
159 A 159 ALA A H H < TS+ 0 0 -75.2 -37.8 -178.9 31.0 126.9 33.5 155 -2.3 0 0.0 0 0.0 0 0.0 6 19
160 A 160 HIS H S h < > TS- 0 0 -128.6 78.3 179.4 -171.0 76.4 129.1 156 -3.3 163 -1.3 0 0.0 0 0.0 7 13
161 A 161 PRO P T T 3 TS+ 0 0 -62.5 148.6 178.8 18.0 71.9 105.7 0 0.0 0 0.0 0 0.0 0 0.0 7 14
162 A 162 GLY G T T 3 TS+ 0 0 71.9 -5.7 177.6 121.9 79.5 64.2 0 0.0 164 -0.6 0 0.0 0 0.0 5 13
163 A 163 GLU E t < T + 0 0 -80.4 39.2 178.7 137.9 43.2 92.2 160 -1.3 0 0.0 0 0.0 0 0.0 6 13
164 A 164 VAL V - 0 0 -91.4 129.2 177.6 -94.6 66.5 139.1 162 -0.6 0 0.0 0 0.0 0 0.0 5 13
165 A 165 CYS C 0 0 -36.0 132.1 -179.8 999.9 999.9 91.0 0 0.0 0 0.0 0 0.0 0 0.0 3 9
166 A 166 PRO P 0 0 -89.4 999.9 999.9 999.9 999.9 126.0 0 0.0 0 0.0 0 0.0 0 0.0 2 5
1kygA.pdb
1KYG OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT B EEEEEETTEEEEEEGGGTTTSEEEEEE S TT SS HHHHHHHHTHHHHHHTTEEEEEEESS HHHHHHHHTT HHHHT SEEEE TT Kabs/Sand
chirality +++----+-+-+-+--+-+--+-++++++------+---++-+--++++++++++++++++-+--+--+-+--++++++++++-+++++++-----++- chirality
bends SS SS SSSSSSS S SS SS SSSSSSSSSSSSSSSS SS SSSSSSSSSS SSSSS S SS bends
turns TTTT TTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>333< >>3<< >33< >>3<< >>3<< >33 3-turns
bridge-2 BBB DDDDD eeee eeee bridge-2
bridge-1 A AAAAAA AAAAAA cccccc cccccc BBB bridge-1
sheets AAAAAA AAAAAA AAAAAA AAAAAAA AAAA sheets
4-turns >444< >>>>XX<<>><<<< >>>>XX44<< 4-turns
summary tTTtB eEEEEEETTEEEEEEeGGgTTtEEEEEEeStTTtSS hHHHHHHHHhHHHHHHheEEEEEEESShHHHHHHHHhThHHHHht SEEEEeTT summary
sequence SLINTKIKPFKNQAFKNGEFIEVTEKDTEGRWSVFFFYPADFTFVCPTELGDVADHYEELQKLGVDVYSVSTDTHFTHKAWHSSSETIAKIKYAMIGDPT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTT B TTTS B EEEEEE TTSBEEEEEEE TTS HHHHHHHHHHHHHHHHSTT Kabs/Sand
chirality ++++++-++--++-+---+------+-+-++--+---++----++++++++++++++++-+++- chirality
bends SSSSSSS SSSS S SSS SSS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTT TTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns < >33< >33< >33< >33< >33< 3-turns
bridge-2 FFFFFF bridge-2
bridge-1 B B DDDDD AF*FFFFF bridge-1
sheets AAAAAA AAAAAAA sheets
4-turns >>>4<<< >444< >>>>XXXXXXXXXX<<<< 4-turns
summary hHHHHHhTtBtTTTt B EEEEEEeTTteEEEEEEEtTTt hHHHHHHHHHHHHHHHHhTTt summary
sequence GALTRNFDNMREDEGLADRATFVVDPQGIIQAIEVTAEGIGRDASDLLRKIKAAQYVAAHPGEVCP sequence
110 120 130 140 150 160