Secondary structure calculation program - copyright by David Keith Smith, 1989
1cojA.pdb
1COJ OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 211
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 2 VAL V 0 0 999.9 163.9 178.5 999.9 999.9 999.9 0 0.0 3 -1.1 0 0.0 0 0.0 5 21
2 A 3 HIS H - 0 0 -88.0 97.1 179.7 -175.3 999.9 140.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
3 A 4 LYS K - 0 0 -94.2 160.2 179.8 -146.9 12.0 124.0 1 -1.1 0 0.0 0 0.0 0 0.0 7 26
4 A 5 LEU L - 0 0 -120.6 161.4 177.1 -156.3 3.3 143.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
5 A 6 GLU E - 0 0 -137.0 144.2 -179.7 -98.3 32.3 170.3 0 0.0 0 0.0 0 0.0 0 0.0 5 33
6 A 7 PRO P - 0 0 -61.5 152.0 179.0 -128.3 26.7 103.1 0 0.0 8 -0.9 0 0.0 0 0.0 7 37
7 A 8 LYS K g > T + 0 0 -104.4 85.1 -179.1 179.6 27.3 140.0 0 0.0 10 -2.1 0 0.0 0 0.0 7 32
8 A 9 ASP D G G > TS+ 0 0 -55.3 -31.3 -179.5 70.6 74.4 36.6 6 -0.9 11 -2.0 0 0.0 0 0.0 5 32
9 A 10 HIS H G G 3 TS+ 0 0 -64.8 -9.0 -179.7 65.4 89.3 54.4 0 0.0 0 0.0 0 0.0 0 0.0 4 23
10 A 11 LEU L G G < TS+ 0 0 -88.9 -10.7 -178.4 119.5 70.6 57.9 7 -2.1 0 0.0 0 0.0 0 0.0 8 34
11 A 12 LYS K g < T - 0 0 -64.1 117.2 -180.0 -141.1 57.7 116.0 8 -2.0 0 0.0 0 0.0 0 0.0 10 42
12 A 13 PRO P - 0 0 -75.7 155.3 179.5 -171.1 19.9 112.6 0 0.0 0 0.0 0 0.0 0 0.0 11 44
13 A 14 GLN Q + 0 0 -152.1 143.4 179.0 11.4 57.6 174.4 0 0.0 0 0.0 0 0.0 0 0.0 9 35
14 A 15 ASN N S S S+ 0 0 60.4 38.5 178.9 177.6 77.3 34.1 0 0.0 0 0.0 0 0.0 0 0.0 8 30
15 A 16 LEU L - 0 0 -68.9 155.7 -179.8 -106.9 36.9 107.9 18 -0.6 17 -0.9 0 0.0 0 0.0 13 40
16 A 17 GLU E S S S- 0 0 -88.1 104.1 179.6 -1.9 102.7 138.2 0 0.0 0 0.0 0 0.0 0 0.0 10 33
17 A 18 GLY G S S S+ 0 0 100.2 -10.0 178.8 83.8 119.0 70.8 15 -0.9 0 0.0 0 0.0 0 0.0 8 36
18 A 19 ILE I S S S- 0 0 -129.5 105.7 -177.4 -143.4 74.0 159.8 0 0.0 15 -0.6 0 0.0 0 0.0 13 49
19 A 20 SER S h > T - 0 0 -67.7 163.9 178.3 -120.1 20.4 97.8 0 0.0 23 -2.0 0 0.0 0 0.0 11 37
20 A 21 ASN N H H > TS+ 0 0 -70.7 -29.9 179.1 61.9 116.0 35.6 0 0.0 24 -2.7 0 0.0 0 0.0 9 35
21 A 22 GLU E H H 4 TS+ 0 0 -63.2 -35.8 179.2 43.5 107.4 32.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
22 A 23 GLN Q H H > TS+ 0 0 -75.3 -42.7 -179.6 50.0 114.1 26.9 0 0.0 26 -1.1 0 0.0 0 0.0 13 40
23 A 24 ILE I H H X TS+ 0 0 -64.0 -40.2 -177.6 68.8 99.0 28.3 19 -2.0 27 -2.8 0 0.0 0 0.0 13 48
24 A 25 GLU E H H X TS+ 0 0 -48.8 -63.5 -179.8 33.6 105.7 23.7 20 -2.7 28 -2.8 0 0.0 0 0.0 9 31
25 A 26 PRO P H H > >TS+ 0 0 -65.8 -32.0 -179.3 57.3 117.2 29.6 0 0.0 30 -2.1 0 0.0 29 -1.7 9 30
26 A 27 HIS H H H < >TS+ 0 0 -62.9 -45.4 -179.3 28.1 119.8 21.1 22 -1.1 31 -2.5 0 0.0 0 0.0 11 46
27 A 28 PHE F H H < >TS+ 0 0 -81.2 -52.4 -177.8 39.6 128.1 19.5 23 -2.8 32 -1.4 0 0.0 0 0.0 10 48
28 A 29 GLU E H H < 5TS+ 0 0 -71.3 -34.5 -179.0 21.7 130.3 36.5 24 -2.8 0 0.0 0 0.0 0 0.0 9 33
29 A 30 ALA A T h X 5TS+ 0 0 -100.1 -58.0 -178.7 31.7 129.7 27.7 25 -1.7 33 -1.1 0 0.0 0 0.0 9 33
30 A 31 HIS H H H > > 3 TS+ 0 0 -68.7 -33.2 179.0 54.4 110.8 31.9 40 -2.3 51 -0.6 0 0.0 47 -0.6 10 30
45 A 46 LEU L H H < 3 TS+ 0 0 -69.6 -30.4 179.6 57.4 103.7 35.6 41 -2.6 0 0.0 0 0.0 0 0.0 11 35
46 A 47 ALA A H H < 3 TS+ 0 0 -73.1 -21.1 179.6 86.6 87.0 46.3 42 -1.5 48 -1.2 0 0.0 0 0.0 8 25
47 A 48 ASP D h X < T - 0 0 -85.6 99.5 -179.1 -165.8 63.7 135.2 43 -0.6 51 -2.7 44 -0.6 0 0.0 9 25
48 A 49 GLN Q T T 4 TS+ 0 0 -58.5 -19.2 179.5 53.6 86.5 49.8 46 -1.2 0 0.0 0 0.0 0 0.0 8 22
49 A 50 ASN N T T 4 > TS+ 0 0 -84.1 -41.1 179.1 38.9 113.8 29.4 0 0.0 52 -0.5 0 0.0 0 0.0 5 20
50 A 51 PHE F T T 4 3 TS+ 0 0 -70.9 -58.6 178.7 38.1 125.0 13.7 0 0.0 52 -1.5 0 0.0 0 0.0 9 25
51 A 52 ALA A T T < 3 TS- 0 0 -91.9 70.4 -179.4 -170.3 88.6 126.5 47 -2.7 53 -0.7 44 -0.6 0 0.0 12 30
52 A 53 ASP D g X T - 0 0 -68.3 112.6 -179.7 -161.1 13.1 123.1 50 -1.5 55 -1.2 49 -0.5 0 0.0 11 25
53 A 54 ARG R G G > TS+ 0 0 -64.9 -30.4 -179.9 62.2 87.6 36.3 51 -0.7 56 -1.5 0 0.0 0 0.0 7 22
54 A 55 SER S G G 3 TS+ 0 0 -70.2 -17.6 179.5 53.3 101.8 46.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
55 A 56 LYS K G G < TS+ 0 0 -97.6 6.1 179.7 143.4 76.4 73.2 52 -1.2 0 0.0 0 0.0 0 0.0 7 21
56 A 57 ALA A g < T + 0 0 -50.4 124.7 -178.2 163.6 21.4 105.4 53 -1.5 0 0.0 0 0.0 0 0.0 11 22
57 A 58 ASN N - 0 0 -150.2 138.5 -178.2 -138.9 41.8 170.8 0 0.0 0 0.0 0 0.0 0 0.0 7 18
58 A 59 GLN Q S S S+ 0 0 -74.6 -16.1 179.2 55.9 102.2 52.9 0 0.0 0 0.0 0 0.0 0 0.0 6 17
59 A 60 ASN N S S S- 0 0 -81.5 -38.3 177.9 -32.2 131.6 33.4 0 0.0 0 0.0 0 0.0 0 0.0 4 13
60 A 61 TYR Y S S S+ 0 0 178.7 135.3 176.7 145.7 70.2 138.3 0 0.0 0 0.0 0 0.0 0 0.0 8 19
61 A 62 SER S h > T - 0 0 -171.0 143.9 -179.9 -117.0 51.4 151.7 0 0.0 65 -2.2 0 0.0 0 0.0 10 24
62 A 63 GLU E H H > TS+ 0 0 -54.0 -42.6 179.7 53.8 117.1 22.8 0 0.0 66 -2.1 0 0.0 0 0.0 10 30
63 A 64 TYR Y H H > TS+ 0 0 -57.6 -48.1 -179.7 48.5 108.6 23.3 0 0.0 67 -2.0 0 0.0 0 0.0 13 31
64 A 65 ARG R H H > TS+ 0 0 -58.1 -53.9 -177.5 48.5 110.6 18.3 0 0.0 68 -2.3 0 0.0 0 0.0 11 30
65 A 66 GLU E H H X TS+ 0 0 -57.8 -39.7 178.8 51.2 111.3 29.4 61 -2.2 69 -2.3 0 0.0 0 0.0 9 32
66 A 67 LEU L H H X TS+ 0 0 -64.8 -41.8 179.8 47.4 111.3 25.8 62 -2.1 70 -1.4 0 0.0 0 0.0 12 39
67 A 68 LYS K H H X TS+ 0 0 -68.7 -34.7 179.2 54.0 110.0 31.8 63 -2.0 71 -1.2 0 0.0 0 0.0 8 37
68 A 69 VAL V H H X > TS+ 0 0 -63.4 -53.8 -179.0 39.2 114.2 12.0 64 -2.3 72 -1.1 0 0.0 71 -0.7 8 34
69 A 70 GLU E H H X 3 TS+ 0 0 -72.2 -17.3 178.0 71.2 103.4 44.7 65 -2.3 73 -2.7 0 0.0 0 0.0 9 35
70 A 71 GLU E H H X 3 TS+ 0 0 -63.0 -40.6 -180.0 45.8 101.0 23.0 66 -1.4 74 -2.6 0 0.0 0 0.0 10 40
71 A 72 THR T H H X < TS+ 0 0 -69.0 -36.9 179.8 52.5 111.7 28.1 67 -1.2 75 -2.0 68 -0.7 0 0.0 10 37
72 A 73 PHE F H H X TS+ 0 0 -62.7 -51.1 -178.6 36.4 117.2 17.0 68 -1.1 76 -1.6 0 0.0 0 0.0 11 40
73 A 74 ASN N H H X TS+ 0 0 -72.8 -40.2 179.8 51.1 116.2 26.1 69 -2.7 77 -2.3 0 0.0 0 0.0 13 43
74 A 75 TYR Y H H X TS+ 0 0 -65.0 -42.7 178.6 45.3 113.7 23.4 70 -2.6 78 -2.7 0 0.0 0 0.0 11 42
75 A 76 MET M H H X TS+ 0 0 -67.0 -34.5 177.8 58.1 108.8 29.7 71 -2.0 79 -2.8 0 0.0 0 0.0 10 53
76 A 77 GLY G H H X TS+ 0 0 -59.4 -43.2 178.6 42.5 111.2 22.2 72 -1.6 80 -1.4 0 0.0 0 0.0 11 57
77 A 78 VAL V H H X TS+ 0 0 -65.1 -60.1 -177.9 43.1 118.1 9.1 73 -2.3 81 -2.3 0 0.0 0 0.0 12 52
78 A 79 VAL V H H X TS+ 0 0 -54.0 -51.4 -179.3 48.8 114.2 26.2 74 -2.7 82 -2.1 0 0.0 0 0.0 8 51
79 A 80 LEU L H H X TS+ 0 0 -60.8 -39.6 178.8 49.6 112.1 27.8 75 -2.8 83 -1.8 0 0.0 0 0.0 10 59
80 A 81 HIS H H H X TS+ 0 0 -67.7 -38.2 179.1 51.5 109.2 25.7 76 -1.4 84 -2.9 0 0.0 0 0.0 10 61
81 A 82 GLU E H H X TS+ 0 0 -65.8 -36.1 178.7 47.1 111.7 28.3 77 -2.3 85 -1.8 0 0.0 0 0.0 10 51
82 A 83 LEU L H H X TS+ 0 0 -71.6 -33.1 179.8 48.8 114.9 33.0 78 -2.1 86 -0.5 0 0.0 0 0.0 10 52
83 A 84 TYR Y H H < > TS+ 0 0 -70.5 -59.5 180.0 36.9 116.8 12.2 79 -1.8 86 -1.0 0 0.0 0 0.0 12 65
84 A 85 PHE F H H < > TS+ 0 0 -61.9 -41.1 -179.2 62.5 111.5 25.1 80 -2.9 87 -1.9 0 0.0 0 0.0 10 65
85 A 86 GLY G H H < 3 TS+ 0 0 -60.7 -18.4 -179.6 50.6 101.8 48.6 81 -1.8 0 0.0 0 0.0 0 0.0 10 46
86 A 87 MET M T h < < TS+ 0 0 -106.4 15.4 179.7 95.4 90.5 76.7 83 -1.0 188 -2.7 82 -0.5 0 0.0 11 53
87 A 88 LEU L B B A < T + 187 0 -112.1 127.7 178.3 164.7 41.4 156.7 84 -1.9 0 0.0 0 0.0 0 0.0 13 54
88 A 89 THR T t > T - 0 0 -136.8 141.7 -179.8 -86.7 50.4 173.0 186 -2.6 91 -2.5 0 0.0 0 0.0 12 38
89 A 90 PRO P T T 3 TS- 0 0 -52.8 116.3 179.9 -4.9 113.1 104.9 0 0.0 0 0.0 0 0.0 0 0.0 10 33
90 A 91 GLY G T T 3 TS- 0 0 79.8 -3.5 179.8 -92.4 118.1 66.9 0 0.0 0 0.0 0 0.0 0 0.0 9 28
91 A 92 GLY G t < T - 0 0 86.9 172.8 -179.6 -122.6 40.2 97.7 88 -2.5 0 0.0 0 0.0 0 0.0 11 34
92 A 93 LYS K B B b - 188 0 -160.0 140.5 179.1 -14.1 54.6 164.6 187 -2.1 189 -2.8 0 0.0 0 0.0 10 29
93 A 94 GLY G S S S- 0 0 66.9 -160.5 -179.9 -95.8 72.6 100.4 0 0.0 0 0.0 0 0.0 0 0.0 7 25
94 A 95 GLU E - 0 0 -152.3 157.7 179.4 -78.6 42.3 164.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
95 A 96 PRO P - 0 0 -64.0 136.6 -179.4 -111.0 57.2 115.0 0 0.0 0 0.0 0 0.0 0 0.0 10 36
96 A 97 SER S h > T - 0 0 -63.6 161.2 179.5 -113.1 19.8 100.3 0 0.0 100 -2.7 0 0.0 0 0.0 7 30
97 A 98 GLU E H H > TS+ 0 0 -62.6 -39.9 179.2 53.5 119.6 24.7 0 0.0 101 -2.4 0 0.0 0 0.0 6 23
98 A 99 ALA A H H > TS+ 0 0 -60.7 -43.7 179.5 46.7 110.4 24.1 0 0.0 102 -1.9 0 0.0 0 0.0 6 31
99 A 100 LEU L H H > TS+ 0 0 -64.8 -45.3 179.9 50.8 111.6 20.7 0 0.0 103 -2.4 0 0.0 0 0.0 10 45
100 A 101 LYS K H H X TS+ 0 0 -60.2 -39.6 -179.3 50.5 109.9 27.7 96 -2.7 104 -2.0 0 0.0 0 0.0 11 38
101 A 102 LYS K H H X TS+ 0 0 -66.7 -42.4 179.7 47.6 110.7 25.7 97 -2.4 105 -2.3 0 0.0 0 0.0 8 27
102 A 103 LYS K H H X TS+ 0 0 -64.7 -43.9 179.1 49.6 112.4 23.8 98 -1.9 106 -2.8 0 0.0 0 0.0 10 39
103 A 104 ILE I H H X >TS+ 0 0 -61.1 -38.8 -179.4 54.5 109.5 27.4 99 -2.4 107 -2.5 0 0.0 108 -1.8 13 41
104 A 105 GLU E H H < 5TS+ 0 0 -62.5 -48.1 -179.3 36.9 114.7 19.6 100 -2.0 0 0.0 0 0.0 0 0.0 10 28
105 A 106 GLU E H H < 5TS+ 0 0 -76.9 -31.2 -180.0 36.1 126.8 33.2 101 -2.3 0 0.0 0 0.0 0 0.0 8 22
106 A 107 ASP D H H < 5TS+ 0 0 -87.8 -42.7 -178.0 17.4 135.3 28.8 102 -2.8 0 0.0 0 0.0 0 0.0 9 31
107 A 108 ILE I T h < 5TS- 0 0 -101.4 -34.2 -179.6 -108.3 103.8 41.7 103 -2.5 0 0.0 0 0.0 0 0.0 11 34
108 A 109 GLY G S t T - 0 0 145.4 165.4 179.9 -76.8 69.1 135.8 0 0.0 113 -2.7 0 0.0 0 0.0 10 27
110 A 111 LEU L H H > TS+ 0 0 -59.0 -40.3 179.6 52.6 127.9 27.2 0 0.0 114 -2.6 0 0.0 0 0.0 9 32
111 A 112 ASP D H H > TS+ 0 0 -62.0 -45.1 179.9 44.6 111.5 21.8 0 0.0 115 -1.9 0 0.0 0 0.0 7 23
112 A 113 ALA A H H > TS+ 0 0 -66.5 -40.6 -179.5 51.5 113.8 25.6 0 0.0 116 -2.3 0 0.0 0 0.0 9 25
113 A 114 CYS C H H X TS+ 0 0 -64.5 -44.8 179.4 48.5 108.9 24.7 109 -2.7 117 -2.7 0 0.0 0 0.0 11 41
114 A 115 THR T H H X TS+ 0 0 -62.2 -41.8 179.8 48.2 113.4 22.5 110 -2.6 118 -2.5 0 0.0 0 0.0 8 43
115 A 116 ASN N H H X TS+ 0 0 -64.9 -39.0 -180.0 50.5 111.8 27.1 111 -1.9 119 -2.1 0 0.0 0 0.0 8 32
116 A 117 GLU E H H X TS+ 0 0 -66.3 -43.2 179.7 47.5 111.4 24.8 112 -2.3 120 -2.3 0 0.0 0 0.0 9 37
117 A 118 LEU L H H X TS+ 0 0 -65.6 -43.7 179.7 48.7 112.0 24.3 113 -2.7 121 -2.4 0 0.0 0 0.0 12 50
118 A 119 LYS K H H X TS+ 0 0 -63.3 -39.4 179.6 51.3 111.7 25.1 114 -2.5 122 -1.7 0 0.0 0 0.0 9 42
119 A 120 ALA A H H X TS+ 0 0 -62.9 -47.4 179.4 46.3 111.0 21.3 115 -2.1 123 -2.0 0 0.0 0 0.0 8 39
120 A 121 ALA A H H X TS+ 0 0 -63.1 -38.6 179.4 53.9 110.7 27.6 116 -2.3 124 -1.8 0 0.0 0 0.0 12 42
121 A 122 ALA A H H < TS+ 0 0 -65.3 -32.3 179.0 43.1 113.1 34.6 117 -2.4 0 0.0 0 0.0 0 0.0 13 47
122 A 123 MET M H H < TS+ 0 0 -82.5 -28.3 -178.3 48.6 115.9 39.6 118 -1.7 0 0.0 0 0.0 0 0.0 9 38
123 A 124 ALA A H H < TS+ 0 0 -86.2 -20.4 -178.7 74.5 101.1 47.6 119 -2.0 0 0.0 0 0.0 0 0.0 7 31
124 A 125 PHE F h < T - 0 0 -107.9 144.4 -176.2 -151.4 61.3 142.0 120 -1.8 0 0.0 0 0.0 0 0.0 12 35
125 A 126 ARG R S S S+ 0 0 -83.4 -7.6 -179.2 19.1 91.4 59.6 0 0.0 0 0.0 0 0.0 0 0.0 9 38
126 A 127 GLY G S e S- 0 0 -126.7 -58.9 -178.6 -15.0 117.9 45.7 144 -2.2 163 -2.6 0 0.0 164 -0.8 12 47
127 A 128 TRP W E E AAB - 144 162 -151.1 161.9 176.3 -145.2 38.7 168.2 144 -2.1 144 -2.8 0 0.0 0 0.0 16 57
128 A 129 ALA A E E AAB - 143 161 -131.6 121.5 -177.8 -171.2 27.8 176.3 161 -1.9 161 -2.8 0 0.0 0 0.0 16 58
129 A 130 ILE I E E AAB - 142 160 -124.4 136.2 175.0 -162.0 21.1 163.3 142 -2.5 142 -3.2 0 0.0 131 -0.6 14 66
130 A 131 LEU L E E AAB + 141 159 -108.2 120.6 -179.8 142.0 40.4 168.2 159 -2.6 158 -2.9 0 0.0 159 -2.1 13 67
131 A 132 GLY G E E AAB - 140 157 -150.9 177.8 179.0 -90.2 53.5 155.5 140 -2.4 140 -2.6 129 -0.6 133 -0.6 13 56
132 A 133 LEU L E E AAB - 139 156 -99.4 121.5 178.8 -142.8 30.9 150.6 156 -2.5 156 -2.4 0 0.0 134 -0.8 13 52
133 A 134 ASP D e > > T - 0 0 -82.3 110.5 -178.3 -157.4 8.2 138.6 138 -2.7 137 -2.8 131 -0.6 136 -1.0 12 43
134 A 135 ILE I T T 4 3 TS+ 0 0 -64.8 -17.8 -179.3 60.8 87.4 46.3 132 -0.8 0 0.0 0 0.0 0 0.0 12 38
135 A 136 PHE F T T 4 3 TS+ 0 0 -82.0 -24.2 179.9 17.6 122.6 38.8 0 0.0 0 0.0 0 0.0 0 0.0 9 27
136 A 137 SER S T T 4 < TS- 0 0 -120.3 -15.4 -179.1 -127.2 94.4 57.6 133 -1.0 0 0.0 0 0.0 0 0.0 5 32
137 A 138 GLY G t < T + 0 0 73.3 19.1 -179.4 125.9 68.9 47.3 133 -2.8 0 0.0 0 0.0 0 0.0 9 41
138 A 139 ARG R e - 0 0 -112.8 149.7 177.5 -113.6 66.9 143.3 0 0.0 133 -2.7 0 0.0 0 0.0 8 45
139 A 140 LEU L E E AA - 132 0 -77.0 136.8 -180.0 -179.9 43.5 128.8 0 0.0 0 0.0 0 0.0 0 0.0 12 52
140 A 141 VAL V E E AA - 131 0 -139.6 153.7 178.3 -125.0 30.9 165.3 131 -2.6 131 -2.4 0 0.0 142 -0.6 10 52
141 A 142 VAL V E E AA - 130 0 -100.8 122.0 -178.8 -169.4 28.6 155.3 0 0.0 143 -0.5 0 0.0 0 0.0 11 52
142 A 143 ASN N E E AA - 129 0 -116.8 116.1 178.7 -160.9 3.6 164.4 129 -3.2 129 -2.5 140 -0.6 0 0.0 12 51
143 A 144 GLY G E E AA - 128 0 -97.5 140.9 -179.9 -162.3 6.2 144.1 141 -0.5 0 0.0 0 0.0 0 0.0 14 46
144 A 145 LEU L E E AA - 127 0 -122.4 144.3 178.0 -156.5 20.5 159.8 127 -2.8 126 -2.2 0 0.0 127 -2.1 15 44
145 A 146 ASP D S S S- 0 0 -92.1 -8.5 179.3 -3.4 85.7 56.5 149 -1.8 0 0.0 0 0.0 0 0.0 11 33
146 A 147 ALA A B B C > TS- 149 0 -165.5 174.6 -179.6 -80.0 92.4 159.0 149 -0.8 149 -1.2 0 0.0 0 0.0 10 43
147 A 148 HIS H T T 3 TS+ 0 0 -56.0 -34.2 -177.2 25.1 131.2 31.8 0 0.0 0 0.0 0 0.0 0 0.0 14 51
148 A 149 ASN N T T 3 TS+ 0 0 -122.7 29.5 -179.9 97.0 100.8 91.3 0 0.0 0 0.0 0 0.0 0 0.0 10 41
149 A 150 VAL V B B C < TS- 146 0 -129.3 115.8 179.7 -3.2 94.7 161.7 146 -1.2 145 -1.8 0 0.0 146 -0.8 7 32
150 A 151 TYR Y S S S+ 0 0 87.8 8.4 179.5 154.3 83.0 64.5 0 0.0 0 0.0 0 0.0 0 0.0 9 33
151 A 152 ASN N - 0 0 -65.6 137.0 176.7 -126.4 44.0 114.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
152 A 153 LEU L t > T - 0 0 -87.4 129.6 178.2 -118.0 24.9 137.5 0 0.0 155 -1.1 0 0.0 0 0.0 6 36
153 A 154 THR T T T 3 TS+ 0 0 -62.8 142.1 178.1 15.2 95.3 112.9 0 0.0 0 0.0 0 0.0 0 0.0 4 31
154 A 155 GLY G T T 3 TS+ 0 0 79.8 -14.5 -178.6 147.6 85.0 77.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
155 A 156 LEU L t < T - 0 0 -60.5 129.1 177.6 -146.8 40.5 107.5 152 -1.1 0 0.0 0 0.0 0 0.0 9 45
156 A 157 ILE I E E AB - 132 0 -98.8 109.4 -179.2 -134.1 23.1 152.9 132 -2.4 132 -2.5 0 0.0 0 0.0 9 48
157 A 158 PRO P E E AB + 131 0 -68.2 133.0 178.7 163.5 36.0 116.0 0 0.0 0 0.0 0 0.0 0 0.0 10 58
158 A 159 LEU L E E A* S+ 0 0 -112.2 -53.0 178.9 22.3 73.5 41.5 130 -2.9 0 0.0 0 0.0 0 0.0 11 64
159 A 160 ILE I E E AB - 130 0 -122.1 128.1 -178.8 -172.6 68.8 169.9 130 -2.1 130 -2.6 0 0.0 0 0.0 10 67
160 A 161 VAL V E E AB - 129 0 -125.8 121.1 179.7 -169.9 3.0 167.5 0 0.0 162 -0.5 0 0.0 0 0.0 12 69
161 A 162 ILE I E E AB - 128 0 -114.1 122.4 178.9 -142.3 16.1 161.0 128 -2.8 128 -1.9 0 0.0 163 -0.5 10 67
162 A 163 ASP D E E AB + 127 0 -81.4 122.5 178.9 174.6 21.7 135.4 160 -0.5 0 0.0 0 0.0 0 0.0 10 69
163 A 164 THR T e + 0 0 -111.6 8.3 177.2 125.1 35.5 74.5 126 -2.6 0 0.0 161 -0.5 0 0.0 14 58
164 A 165 TYR Y S g > TS- 0 0 -63.0 146.8 -178.8 -116.2 73.6 115.6 126 -0.8 167 -1.9 0 0.0 0 0.0 9 52
165 A 166 GLU E G G > > TS+ 0 0 -57.8 -32.5 179.9 63.5 112.4 35.8 0 0.0 169 -2.4 0 0.0 168 -1.1 7 41
166 A 167 HIS H G G 4 3 TS+ 0 0 -66.4 -17.9 -179.0 68.0 91.9 43.7 0 0.0 0 0.0 0 0.0 0 0.0 7 43
167 A 168 ALA A G G 4 < TS+ 0 0 -73.0 -25.9 -177.8 6.3 122.5 38.6 164 -1.9 0 0.0 0 0.0 0 0.0 11 58
168 A 169 TYR Y T h > <>TS+ 0 0 -136.1 -6.4 -177.7 98.4 97.9 61.8 165 -1.1 172 -3.1 0 0.0 173 -0.6 14 45
169 A 170 TYR Y H H X 5TS+ 0 0 -59.6 -31.7 179.8 56.7 81.8 37.6 165 -2.4 173 -0.9 0 0.0 0 0.0 11 33
170 A 171 VAL V H H 4 5TS+ 0 0 -66.1 -44.0 -178.7 26.8 121.4 20.2 0 0.0 0 0.0 0 0.0 0 0.0 9 29
171 A 172 ASP D H H 4 5TS+ 0 0 -86.2 -42.8 -175.8 15.0 140.8 28.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
172 A 173 TYR Y H H < >5TS- 0 0 -117.0 0.1 -178.2 -158.3 78.0 64.4 168 -3.1 175 -2.4 0 0.0 0 0.0 10 29
173 A 174 LYS K T h < 3 < T + 0 0 -77.0 92.9 -179.8 165.1 37.1 123.4 172 -2.4 179 -0.6 0 0.0 0 0.0 8 29
176 A 177 ARG R H H > > T + 0 0 -75.1 -40.1 -179.8 67.5 62.9 29.3 174 -1.4 180 -2.1 0 0.0 179 -0.6 11 38
177 A 178 PRO P H H > 3 TS+ 0 0 -50.3 -49.7 179.9 48.1 99.8 26.9 0 0.0 181 -2.1 0 0.0 0 0.0 7 38
178 A 179 PRO P H H > 3 TS+ 0 0 -63.4 -27.9 178.9 54.3 110.5 32.8 0 0.0 182 -2.0 0 0.0 0 0.0 8 33
179 A 180 TYR Y H H X < TS+ 0 0 -69.4 -42.0 179.7 51.0 106.1 24.7 176 -0.6 183 -2.4 175 -0.6 0 0.0 12 45
180 A 181 ILE I H H X TS+ 0 0 -62.3 -41.2 178.7 49.7 110.3 24.2 176 -2.1 184 -1.9 0 0.0 0 0.0 10 52
181 A 182 ASP D H H X TS+ 0 0 -62.8 -43.5 179.8 50.8 110.1 22.3 177 -2.1 185 -1.3 0 0.0 0 0.0 8 42
182 A 183 ALA A H H X TS+ 0 0 -61.7 -39.4 179.1 56.1 106.0 26.5 178 -2.0 186 -0.8 0 0.0 0 0.0 11 48
183 A 184 PHE F H H < > TS+ 0 0 -58.4 -47.5 179.5 50.6 105.9 21.3 179 -2.4 186 -1.2 0 0.0 0 0.0 12 61
184 A 185 PHE F H H < > TS+ 0 0 -61.9 -28.1 179.7 60.1 103.6 37.4 180 -1.9 187 -0.9 0 0.0 0 0.0 7 54
185 A 186 LYS K H H < 3 TS+ 0 0 -73.4 -19.3 -178.1 44.7 108.0 46.1 181 -1.3 0 0.0 0 0.0 0 0.0 10 40
186 A 187 ASN N T h < < TS+ 0 0 -112.5 19.5 -179.2 137.1 77.4 78.1 183 -1.2 88 -2.6 182 -0.8 0 0.0 14 43
187 A 188 ILE I B B A < T - 87 0 -72.7 127.2 178.0 -144.0 47.5 117.7 184 -0.9 92 -2.1 0 0.0 189 -1.1 12 50
188 A 189 ASN N B h > b > T - 92 0 -90.1 95.5 -179.3 -173.3 16.3 141.9 86 -2.7 192 -1.6 0 0.0 191 -0.6 12 42
189 A 190 TRP W H H > 3 TS+ 0 0 -65.2 -19.2 178.1 67.6 78.4 46.9 92 -2.8 193 -2.8 187 -1.1 0 0.0 12 39
190 A 191 ASP D H H > 3 TS+ 0 0 -65.1 -42.0 179.4 44.1 105.3 21.4 0 0.0 194 -1.7 0 0.0 0 0.0 10 35
191 A 192 VAL V H H > < TS+ 0 0 -65.7 -50.4 179.9 46.3 115.5 18.5 188 -0.6 195 -2.2 0 0.0 0 0.0 9 39
192 A 193 VAL V H H X TS+ 0 0 -60.9 -43.7 180.0 52.5 111.0 25.1 188 -1.6 196 -2.4 0 0.0 0 0.0 12 48
193 A 194 ASN N H H X TS+ 0 0 -61.3 -38.8 179.1 48.9 110.0 28.4 189 -2.8 197 -2.1 0 0.0 0 0.0 11 40
194 A 195 GLU E H H X TS+ 0 0 -67.0 -42.7 178.8 52.3 109.0 24.6 190 -1.7 198 -2.3 0 0.0 0 0.0 8 33
195 A 196 ARG R H H X TS+ 0 0 -58.3 -42.8 -179.9 50.3 110.0 23.1 191 -2.2 199 -2.7 0 0.0 0 0.0 10 45
196 A 197 PHE F H H X TS+ 0 0 -62.6 -45.1 179.7 51.9 107.6 25.5 192 -2.4 200 -2.8 0 0.0 0 0.0 10 44
197 A 198 GLU E H H X TS+ 0 0 -57.4 -47.5 -179.9 43.6 114.1 20.7 193 -2.1 201 -2.2 0 0.0 0 0.0 8 35
198 A 199 LYS K H H X TS+ 0 0 -65.4 -41.9 179.8 53.6 112.1 26.0 194 -2.3 202 -2.7 0 0.0 0 0.0 8 30
199 A 200 ALA A H H X TS+ 0 0 -59.9 -45.3 179.7 45.8 111.0 23.0 195 -2.7 203 -2.3 0 0.0 0 0.0 10 38
200 A 201 MET M H H X TS+ 0 0 -66.7 -40.1 178.1 50.5 111.9 28.3 196 -2.8 204 -1.6 0 0.0 0 0.0 8 41
201 A 202 LYS K H H X TS+ 0 0 -63.8 -40.9 178.4 48.9 112.1 21.7 197 -2.2 205 -0.9 0 0.0 0 0.0 8 26
202 A 203 ALA A H H X > TS+ 0 0 -64.1 -41.4 179.9 55.6 106.9 26.6 198 -2.7 206 -1.3 0 0.0 205 -0.7 8 29
203 A 204 TYR Y H H X 3 TS+ 0 0 -61.5 -32.8 -179.8 62.2 98.3 33.3 199 -2.3 207 -1.5 0 0.0 0 0.0 10 30
204 A 205 GLU E H H < 3 TS+ 0 0 -62.3 -34.2 179.3 42.2 108.5 29.8 200 -1.6 0 0.0 0 0.0 0 0.0 7 22
205 A 206 ALA A H H < < TS+ 0 0 -82.0 -22.8 -178.6 47.5 118.7 43.0 201 -0.9 0 0.0 202 -0.7 0 0.0 6 22
206 A 207 LEU L H H < > TS+ 0 0 -96.2 -9.7 -178.7 124.1 78.6 60.7 202 -1.3 209 -0.9 0 0.0 0 0.0 8 24
207 A 208 LYS K T h < 3 TS+ 0 0 -58.2 142.2 -178.7 18.8 78.6 105.4 203 -1.5 0 0.0 0 0.0 0 0.0 9 22
208 A 209 ASP D T T 3 TS+ 0 0 65.5 36.5 179.9 153.3 77.0 32.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
209 A 210 PHE F S t < TS+ 0 0 -60.6 -44.7 177.3 44.3 70.1 25.3 206 -0.9 211 -0.6 0 0.0 0 0.0 6 18
210 A 211 ILE I 0 0 -101.9 124.0 -179.2 999.9 999.9 157.1 0 0.0 0 0.0 0 0.0 0 0.0 4 15
211 A 212 LYS K 0 0 -113.1 999.9 999.9 999.9 999.9 161.8 209 -0.6 0 0.0 0 0.0 0 0.0 3 9
1cojA.pdb
1COJ OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG S SSS HHHHHHHHHTHHHHHHHHHHHHHHHHH TTTT GGG SSS HHHHHHHHHHHHHHHHHHHHHHHHTB TT BS HHHH Kabs/Sand
chirality -----++++--++--+--+++++++++++++++++++++++++++-+++--++++-+-+-++++++++++++++++++++++++++---------++++ chirality
bends SSS S SSS SSSSSSSSSSSSSSSSSSSSSSSSSSS SSSS SSS SSS SSSSSSSSSSSSSSSSSSSSSSSSS SS S SSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns >>>55<<< 5-turns
3-turns >>3<< >33< >33< >33X>3<< >33< >>3<<>33< 3-turns
bridge-2 bridge-2
bridge-1 A b bridge-1
sheets sheets
4-turns >>4>XX><<>>XXXXXXXXXXX<<>>>XXXXXXXXXXXXXXXXXX<<<< >>>>X 4-turns
summary gGGGg S SSShHHHHHHHHHhHHHHHHHHHHHHHHHHHhTTTTgGGGg SSShHHHHHHHHHHHHHHHHHHHHHHHHhBtTTtBS hHHHH summary
sequence VHKLEPKDHLKPQNLEGISNEQIEPHFEAHYKGYVAKYNEIQEKLADQNFADRSKANQNYSEYRELKVEETFNYMGVVLHELYFGMLTPGGKGEPSEALK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHTS HHHHHHHHHHHHHH SSEEEEEE TTT EEEEEESBTTBS TT EEEEEEE SGGGTHHHHTT HHHHHHHHHHTBBHHHHHHHHHHHH Kabs/Sand
chirality ++++++---++++++++++++++-+----+---++-+---------++-+--++--++---++-+++++++--+++++++++++++--++++++++++++ chirality
bends SSSSSSSS SSSSSSSSSSSSSS SS SSS SSSSSS SS S SSSSSSSSSSS SSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >>3<< >33<>33< >>3<<>33< 3-turns
bridge-2 BBBBBB bridge-2
bridge-1 AAAAAA AAAAAA C C BB*BBBB Ab bridge-1
sheets AAAAAA AAAAAA AAAAAAA sheets
4-turns XXX<<<< >>>>XXXXXXXX<<<< >444< >44>X44<< >>>>XXXX<<<< >>>>XXXXXXXXX 4-turns
summary HHHHHHhthHHHHHHHHHHHHHHhSeEEEEEEeTTTteEEEEEESBTTBS tTTtEEEEEEEegGGGhHHHHhThHHHHHHHHHHhBhHHHHHHHHHHHH summary
sequence KKIEEDIGGLDACTNELKAAAMAFRGWAILGLDIFSGRLVVNGLDAHNVYNLTGLIPLIVIDTYEHAYYVDYKNKRPPYIDAFFKNINWDVVNERFEKAM sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHTTS Kabs/Sand
chirality +++++++++ chirality
bends SSSSSSSSS bends
turns TTTTTTTTT turns
5-turns 5-turns
3-turns >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXX<<<< 4-turns
summary HHHHHHhTt summary
sequence KAYEALKDFIK sequence
210