Secondary structure calculation program - copyright by David Keith Smith, 1989
1eso-.pdb
1ESO OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 154
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 ALA A e 0 0 999.9 150.3 179.1 999.9 999.9 999.9 0 0.0 26 -2.3 0 0.0 0 0.0 5 26
2 3 SER S E E AA - 25 0 -144.0 169.4 -178.3 -156.7 999.9 157.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
3 4 GLU E E E AA - 24 0 -152.1 137.8 178.6 -134.1 15.1 170.8 24 -1.9 24 -2.5 0 0.0 5 -0.5 7 35
4 5 LYS K E E AA - 23 0 -98.9 127.5 178.6 -164.4 18.2 148.3 0 0.0 6 -0.5 0 0.0 0 0.0 8 37
5 6 VAL V E E AA - 22 0 -112.6 119.3 177.5 -142.4 12.0 161.6 22 -2.9 22 -2.2 3 -0.5 0 0.0 12 44
6 7 GLU E E E AA - 21 0 -82.9 135.9 -177.8 -150.1 18.6 132.3 4 -0.5 0 0.0 0 0.0 0 0.0 11 42
7 8 MET M E E AA - 20 0 -109.5 147.3 -179.6 -173.6 13.6 143.5 20 -2.8 19 -2.1 0 0.0 20 -0.6 13 54
8 9 ASN N E E AAB - 18 150 -137.2 155.6 174.7 -102.9 29.4 161.3 150 -1.8 150 -2.7 0 0.0 0 0.0 13 49
9 10 LEU L E E A*B - 0 149 -72.7 149.1 177.2 -157.3 37.6 118.3 17 -2.5 16 -3.0 0 0.0 0 0.0 12 46
10 10A VAL V E E AA + 15 0 -134.0 142.3 176.5 173.2 15.1 172.4 148 -2.0 0 0.0 0 0.0 0 0.0 15 43
11 10B THR T E E AA > T - 14 0 -132.9 176.8 -178.6 -90.1 52.9 141.0 14 -2.4 14 -1.2 0 0.0 67 -0.5 12 39
12 10C SER S T T 3 TS+ 0 0 -70.3 -1.6 -176.5 52.4 125.5 60.5 0 0.0 0 0.0 0 0.0 0 0.0 10 34
13 10D GLN Q T T 3 TS- 0 0 -115.5 -4.3 178.4 -68.4 122.1 63.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
14 10E GLY G E E AA < T - 11 0 150.9 -160.2 178.3 -41.0 69.4 170.2 11 -1.2 11 -2.4 0 0.0 0 0.0 10 31
15 11 VAL V E E AA - 10 0 -112.0 131.1 -174.6 -166.8 54.2 159.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
16 12 GLY G E E A* - 0 0 -92.5 -154.4 -176.4 -22.1 38.4 77.3 9 -3.0 0 0.0 0 0.0 0 0.0 8 29
17 13 GLN Q E E A* - 0 0 -61.1 150.4 176.3 -104.5 66.2 97.3 0 0.0 9 -2.5 0 0.0 0 0.0 6 26
18 14 SER S E E AA - 8 0 -75.5 137.7 -178.6 -170.6 28.3 125.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
19 15 ILE I E E A* - 0 0 -118.9 19.4 178.9 -82.9 51.9 83.8 7 -2.1 38 -1.8 0 0.0 0 0.0 11 37
20 16 GLY G E E AAC - 7 37 116.8 -157.3 -177.4 -83.0 52.6 143.8 7 -0.6 7 -2.8 0 0.0 0 0.0 10 39
21 17 SER S E E AAC - 6 36 -149.3 168.2 177.3 -138.3 14.2 159.3 36 -1.2 36 -1.8 0 0.0 0 0.0 11 44
22 18 VAL V E E AAC - 5 35 -129.8 130.6 176.4 -150.8 17.3 175.3 5 -2.2 5 -2.9 0 0.0 0 0.0 13 53
23 19 THR T E E AAC - 4 34 -111.1 135.0 -177.8 -154.8 6.9 158.6 34 -1.6 34 -2.4 0 0.0 0 0.0 11 44
24 20 ILE I E E AAC - 3 33 -108.6 129.7 -178.3 -175.9 12.9 153.4 3 -2.5 3 -1.9 0 0.0 0 0.0 13 55
25 21 THR T E E AAC - 2 32 -131.5 139.6 176.9 -122.6 26.9 168.4 32 -1.7 32 -2.4 0 0.0 0 0.0 11 35
26 22 GLU E E E A C + 0 31 -80.1 123.9 178.3 172.8 40.6 133.6 1 -2.3 0 0.0 0 0.0 0 0.0 12 30
27 23 THR T E E A C> T - 0 30 -127.2 170.8 -179.4 -99.5 48.8 143.6 30 -1.2 30 -1.7 0 0.0 0 0.0 8 25
28 24 ASP D T T 3 TS+ 0 0 -60.5 -23.7 -174.3 46.8 123.8 42.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
29 25 LYS K T T 3 TS- 0 0 -109.8 17.9 179.2 -84.8 124.8 80.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
30 26 GLY G E E AC < TS- 27 0 110.8 -172.9 -179.5 -22.0 74.3 126.5 27 -1.7 27 -1.2 0 0.0 0 0.0 13 33
31 27 LEU L E E ACD - 26 111 -75.3 132.1 178.1 -151.9 57.1 122.6 114 -1.2 111 -2.5 111 -1.1 0 0.0 15 44
32 28 GLU E E E ACD - 25 110 -110.3 129.9 179.6 -155.5 1.8 157.9 25 -2.4 25 -1.7 0 0.0 34 -0.7 12 45
33 29 PHE F E E ACD - 24 109 -109.2 107.4 -178.5 -174.8 10.1 156.7 109 -3.6 109 -2.2 0 0.0 0 0.0 11 57
34 30 SER S E E AC - 23 0 -105.2 90.1 180.0 -157.4 14.8 145.9 23 -2.4 23 -1.6 32 -0.7 0 0.0 11 42
35 31 PRO P E E AC - 22 0 -69.0 155.0 173.1 -177.1 23.2 108.0 0 0.0 0 0.0 0 0.0 0 0.0 11 52
36 32 ASP D E E AC + 21 0 -146.8 66.6 -175.1 148.7 36.7 124.6 21 -1.8 21 -1.2 0 0.0 0 0.0 10 38
37 33 LEU L E E ACA + 20 105 -114.5 152.9 -179.3 178.4 22.5 141.6 105 -2.2 105 -2.1 0 0.0 0 0.0 12 49
38 34 LYS K e + 0 0 -138.3 173.8 176.9 48.1 56.2 142.2 19 -1.8 0 0.0 0 0.0 0 0.0 9 37
39 35 ALA A S S S+ 0 0 54.8 44.4 179.2 136.1 75.8 32.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
40 36 LEU L - 0 0 -116.0 143.5 176.3 -100.2 65.3 153.2 103 -1.7 0 0.0 0 0.0 0 0.0 9 47
41 37 PRO P - 0 0 -61.5 131.3 180.0 -106.7 50.9 119.0 0 0.0 0 0.0 0 0.0 0 0.0 6 35
42 38 PRO P S S S+ 0 0 -59.8 151.2 180.0 56.5 80.1 104.4 0 0.0 0 0.0 0 0.0 0 0.0 11 28
43 39 GLY G E E BE S- 99 0 123.4 -168.3 179.7 -40.3 94.3 138.6 99 -2.5 99 -3.4 0 0.0 0 0.0 8 33
44 40 GLU E E E BE - 98 0 -98.0 142.6 -176.0 -165.5 55.3 139.1 0 0.0 0 0.0 0 0.0 0 0.0 11 45
45 41 HIS H E E BE - 97 0 -136.5 141.5 176.3 -103.0 27.6 169.9 97 -2.5 97 -2.8 0 0.0 0 0.0 15 51
46 42 GLY G e - 0 0 -58.3 132.1 -176.8 -168.6 36.8 111.4 130 -2.6 128 -2.8 0 0.0 0 0.0 16 56
47 43 PHE F E E AF + 127 0 -133.7 105.5 -178.5 147.2 20.4 161.4 0 0.0 94 -1.5 0 0.0 0 0.0 14 74
48 44 HIS H E E AFB - 126 93 -142.7 157.9 174.4 -121.7 46.0 164.6 126 -1.7 126 -2.9 0 0.0 50 -0.5 11 80
49 45 ILE I E E AF - 125 0 -96.2 126.3 -178.7 -148.1 34.8 149.9 92 -1.9 74 -2.6 0 0.0 0 0.0 14 73
50 46 HIS H E E AFC - 124 73 -98.0 164.5 -172.9 -109.8 21.1 124.7 124 -3.5 124 -1.1 48 -0.5 0 0.0 15 58
51 47 ALA A S S S+ 0 0 -65.8 -31.1 -177.5 52.4 95.0 42.9 72 -2.5 0 0.0 0 0.0 0 0.0 12 44
52 48 LYS K S S S- 0 0 -117.5 145.8 -179.2 -127.4 77.5 153.1 70 -2.4 54 -1.7 0 0.0 0 0.0 10 37
53 49 GLY G S S S+ 0 0 -86.8 66.4 179.3 100.8 74.8 120.0 122 -0.7 0 0.0 0 0.0 0 0.0 11 41
54 50 SER S - 0 0 -151.4 136.9 179.1 -170.7 47.3 170.0 52 -1.7 0 0.0 0 0.0 0 0.0 11 47
55 50A CYS C + 0 0 -110.3 15.3 -176.0 124.5 50.4 77.3 0 0.0 67 -0.5 0 0.0 0 0.0 15 51
56 51 GLN Q - 0 0 -77.6 152.0 178.9 -107.8 63.9 115.3 0 0.0 69 -2.6 0 0.0 0 0.0 11 42
57 52 PRO P - 0 0 -70.9 164.0 175.5 -164.8 31.9 108.0 0 0.0 0 0.0 0 0.0 0 0.0 14 39
58 53 ALA A B B D - 65 0 -151.1 147.3 -176.0 -118.3 26.7 168.0 65 -1.7 65 -1.5 0 0.0 60 -1.5 11 28
59 54 THR T + 0 0 -91.7 72.7 177.6 123.2 66.3 124.8 0 0.0 0 0.0 0 0.0 0 0.0 9 22
60 54A LYS K + 0 0 -138.1 108.2 178.7 47.4 55.0 159.8 58 -1.5 0 0.0 0 0.0 0 0.0 8 21
61 54B ASP D S S S- 0 0 124.1 61.4 177.6 -52.2 131.1 52.6 0 0.0 0 0.0 0 0.0 0 0.0 6 18
62 54C GLY G S S S- 0 0 61.5 14.0 178.8 -8.0 125.4 53.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
63 54D LYS K S S S- 0 0 162.0 -170.1 178.0 -24.0 107.2 166.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
64 54E ALA A - 0 0 -65.8 143.6 179.5 -162.3 55.8 112.0 0 0.0 0 0.0 0 0.0 0 0.0 11 25
65 54F SER S B B D > T - 58 0 -138.3 134.3 -178.4 -102.8 24.9 177.6 58 -1.5 58 -1.7 0 0.0 68 -1.7 12 34
66 54G ALA A T T 3 TS- 0 0 -58.0 129.3 177.6 -15.2 97.9 106.8 0 0.0 0 0.0 0 0.0 0 0.0 16 45
67 55 ALA A T g > TS+ 0 0 46.7 31.2 -179.1 146.2 85.2 44.1 55 -0.5 70 -1.6 11 -0.5 0 0.0 17 51
68 56 GLU E G G X T + 0 0 -66.5 -18.5 -178.3 78.7 55.1 42.9 65 -1.7 71 -1.6 0 0.0 0 0.0 13 49
69 57 SER S G G 3 TS+ 0 0 -63.2 -18.4 -175.1 72.4 77.6 46.5 56 -2.6 0 0.0 0 0.0 0 0.0 10 42
70 58 ALA A G G < TS- 0 0 -78.6 -8.7 179.7 -148.2 92.0 55.6 67 -1.6 52 -2.4 0 0.0 0 0.0 14 49
71 59 GLY G g < T - 0 0 73.5 -161.2 -178.4 -35.4 36.7 106.6 68 -1.6 0 0.0 0 0.0 0 0.0 8 45
72 60 GLY G S S S- 0 0 -81.9 -167.9 179.8 -53.2 86.3 86.7 0 0.0 51 -2.5 0 0.0 0 0.0 6 55
73 61 HIS H B B C - 50 0 -74.7 137.0 178.3 -95.7 66.3 121.6 0 0.0 0 0.0 0 0.0 0 0.0 12 61
74 62 LEU L + 0 0 -52.1 127.0 -175.4 156.5 57.5 105.8 49 -2.6 92 -2.0 0 0.0 0 0.0 11 50
75 63 ASP D t > T + 0 0 -158.8 68.0 -175.7 169.1 13.8 112.7 0 0.0 78 -2.2 0 0.0 0 0.0 12 38
76 64 PRO P T T 3 TS+ 0 0 -63.0 -13.3 -177.7 55.1 83.6 51.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
77 65 GLN Q T T 3 TS- 0 0 -98.7 -2.1 178.1 -132.5 104.4 66.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
78 66 ASN N t < T + 0 0 47.8 55.8 178.5 157.7 48.1 26.6 75 -2.2 0 0.0 0 0.0 0 0.0 6 21
79 67 THR T - 0 0 -74.3 -26.8 178.5 -150.1 37.2 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 25
80 67A GLY G + 0 0 68.6 4.4 -179.2 108.8 57.7 60.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
81 68 LYS K - 0 0 -118.1 150.7 176.3 -141.2 63.3 150.0 0 0.0 90 -2.6 0 0.0 83 -0.7 8 36
82 69 HIS H + 0 0 -105.3 106.0 -174.7 142.9 41.8 153.7 0 0.0 0 0.0 0 0.0 0 0.0 13 45
83 70 GLU E - 0 0 -128.0 -1.7 177.4 -111.0 52.1 64.4 81 -0.7 0 0.0 0 0.0 0 0.0 13 44
84 71 GLY G t > T - 0 0 95.8 173.9 -176.7 -56.3 49.3 104.1 0 0.0 87 -1.5 0 0.0 0 0.0 14 46
85 72 PRO P T T 3 TS+ 0 0 -63.4 -24.9 -175.9 43.8 137.3 42.7 0 0.0 0 0.0 0 0.0 0 0.0 12 44
86 74 GLU E T T 3 TS+ 0 0 -106.8 10.7 179.7 83.2 103.3 78.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
87 75 GLY G S t < TS- 0 0 -95.3 -160.6 179.8 -111.2 86.0 92.3 84 -1.5 0 0.0 0 0.0 0 0.0 6 35
88 76 ALA A S S S+ 0 0 -129.5 32.8 -179.1 85.8 85.5 97.3 0 0.0 0 0.0 0 0.0 0 0.0 9 30
89 77 GLY G S S S+ 0 0 -107.3 -144.0 179.6 5.4 83.7 85.2 0 0.0 0 0.0 0 0.0 0 0.0 12 40
90 78 HIS H t > T - 0 0 -45.3 128.6 179.5 -143.3 58.1 98.2 81 -2.6 93 -1.2 0 0.0 0 0.0 17 47
91 79 LEU L T T 3 TS+ 0 0 -67.7 -20.1 -175.2 65.4 97.9 45.9 0 0.0 0 0.0 0 0.0 0 0.0 13 50
92 80 GLY G T T 3 TS+ 0 0 -84.5 -6.0 -179.1 118.7 70.5 61.3 74 -2.0 49 -1.9 0 0.0 0 0.0 11 69
93 81 ASP D B B B < T - 48 0 -70.1 117.2 179.6 -175.9 42.7 121.6 90 -1.2 0 0.0 0 0.0 0 0.0 16 63
94 82 LEU L - 0 0 -108.1 155.9 174.4 -91.0 35.1 136.7 47 -1.5 0 0.0 0 0.0 0 0.0 12 63
95 83 PRO P - 0 0 -60.0 157.8 -177.6 -82.7 63.5 110.4 0 0.0 0 0.0 0 0.0 0 0.0 11 56
96 84 ALA A - 0 0 -66.6 153.6 178.2 -119.9 37.3 103.0 0 0.0 98 -0.6 0 0.0 0 0.0 10 58
97 85 LEU L E E BE - 45 0 -96.6 119.3 -179.5 -151.2 23.7 148.8 45 -2.8 45 -2.5 0 0.0 99 -0.6 11 59
98 86 VAL V E E BE - 44 0 -98.7 119.3 178.8 -162.9 7.6 148.2 96 -0.6 0 0.0 0 0.0 0 0.0 10 44
99 87 VAL V E E BE - 43 0 -104.0 128.0 -177.9 -136.1 14.7 152.7 43 -3.4 43 -2.5 97 -0.6 0 0.0 15 40
100 88 ASN N t > T - 0 0 -78.0 175.0 -175.3 -92.2 32.3 98.5 104 -3.1 103 -2.3 0 0.0 0 0.0 9 24
101 89 ASN N T T 3 TS+ 0 0 -67.0 -11.3 177.1 60.8 126.0 55.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19
102 90 ASP D T T 3 TS- 0 0 -92.6 -2.8 177.8 -110.6 120.8 62.6 0 0.0 0 0.0 0 0.0 0 0.0 6 19
103 91 GLY G S t < TS+ 0 0 80.6 27.7 179.1 126.9 76.8 43.0 100 -2.3 40 -1.7 0 0.0 0 0.0 11 28
104 92 LYS K - 0 0 -118.2 150.9 177.1 -156.7 46.4 151.1 0 0.0 100 -3.1 0 0.0 0 0.0 13 34
105 93 ALA A B B A + 37 0 -126.0 114.9 -176.2 143.2 32.3 170.8 37 -2.1 37 -2.2 0 0.0 0 0.0 13 42
106 94 THR T + 0 0 -133.7 -0.2 -178.0 108.3 34.8 70.2 0 0.0 108 -0.5 0 0.0 0 0.0 9 37
107 95 ASP D - 0 0 -93.0 125.0 -179.4 -127.3 65.1 139.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
108 96 ALA A - 0 0 -67.3 153.3 -176.4 -161.3 23.0 105.2 106 -0.5 0 0.0 0 0.0 0 0.0 8 37
109 97 VAL V E E AD - 33 0 -138.7 150.4 -177.1 -139.4 5.6 162.2 33 -2.2 33 -3.6 0 0.0 0 0.0 10 46
110 98 ILE I E E AD - 32 0 -123.4 140.8 176.4 -163.3 9.3 159.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
111 99 ALA A E E AD > T - 31 0 -116.0 93.2 -175.7 -171.1 9.1 153.3 31 -2.5 114 -1.3 0 0.0 31 -1.1 13 47
112 100 PRO P T T 3 TS+ 0 0 -60.4 -24.2 -174.6 60.0 81.1 40.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36
113 101 ARG R T T 3 TS+ 0 0 -80.9 -19.0 178.4 76.5 91.0 45.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
114 102 LEU L t < T + 0 0 -90.0 131.3 -176.8 169.0 52.0 139.2 111 -1.3 31 -1.2 0 0.0 0 0.0 9 46
115 103 LYS K + 0 0 -124.6 -8.0 -179.3 35.0 54.4 56.1 0 0.0 0 0.0 0 0.0 0 0.0 11 31
116 104 SER S g > T - 0 0 -151.9 147.3 178.4 -133.1 61.0 177.1 0 0.0 119 -1.3 0 0.0 0 0.0 9 32
117 105 LEU L G G > TS+ 0 0 -63.1 -27.4 179.6 71.5 106.9 39.8 0 0.0 120 -1.5 0 0.0 0 0.0 12 40
118 108 ASP D G G > TS+ 0 0 -57.6 -31.5 -176.7 63.1 89.2 34.5 0 0.0 121 -0.8 0 0.0 0 0.0 5 31
119 109 GLU E G G < TS+ 0 0 -70.7 -19.8 -175.9 34.6 110.0 46.6 116 -1.3 0 0.0 0 0.0 0 0.0 7 42
120 110 ILE I G G X TS+ 0 0 -125.5 19.7 178.6 142.3 79.0 76.6 117 -1.5 123 -0.9 0 0.0 0 0.0 9 51
121 111 LYS K T g < TS+ 0 0 -63.7 142.0 179.4 9.0 74.8 111.5 118 -0.8 0 0.0 0 0.0 0 0.0 8 37
122 112 ASP D T T 3 TS+ 0 0 53.0 48.2 176.9 123.6 101.6 31.3 153 -2.2 53 -0.7 0 0.0 0 0.0 9 34
123 113 LYS K E E A G< T - 0 153 -123.9 172.1 -179.3 -105.6 62.0 139.0 120 -0.9 153 -3.1 153 -0.5 0 0.0 15 50
124 114 ALA A E E AFG - 50 152 -110.9 128.0 174.4 -149.4 16.5 155.0 50 -1.1 50 -3.5 0 0.0 126 -0.5 16 59
125 115 LEU L E E AFG - 49 151 -88.9 124.1 -173.9 -166.0 28.6 146.1 151 -3.4 151 -2.6 0 0.0 0 0.0 12 77
126 116 MET M E E AFG - 48 150 -125.8 144.4 175.1 -161.4 22.8 155.6 48 -2.9 48 -1.7 124 -0.5 0 0.0 14 75
127 117 VAL V E E AFG - 47 149 -121.0 128.3 -176.2 -149.7 20.0 171.2 149 -2.6 148 -3.1 0 0.0 149 -2.0 13 75
128 118 HIS H E E A G - 0 147 -99.3 155.6 179.5 -131.4 19.7 126.7 46 -2.8 0 0.0 0 0.0 0 0.0 14 60
129 119 VAL V S e S+ 0 0 -71.0 -38.5 179.6 55.3 94.3 26.0 146 -3.2 0 0.0 0 0.0 0 0.0 11 45
130 120 GLY G S S S- 0 0 -85.6 177.5 -179.3 -107.9 90.0 103.7 144 -2.9 46 -2.6 0 0.0 0 0.0 11 37
131 121 GLY G - 0 0 -86.4 -154.5 178.9 -115.4 26.4 79.2 0 0.0 0 0.0 0 0.0 0 0.0 12 43
132 122 ASP D + 0 0 -156.9 111.1 178.3 179.1 23.3 145.2 0 0.0 0 0.0 0 0.0 0 0.0 14 47
133 123 ASN N - 0 0 -94.8 11.1 175.4 -117.6 53.5 76.8 142 -1.1 0 0.0 0 0.0 0 0.0 7 38
134 124 MET M S S S+ 0 0 60.0 33.7 -179.6 92.0 81.3 37.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
135 125 SER S S S S- 0 0 -151.3 162.6 177.2 -130.8 76.4 166.2 0 0.0 142 -1.6 0 0.0 0 0.0 13 37
136 130 ASP D S S S+ 0 0 -94.3 0.0 175.8 116.1 76.7 68.5 0 0.0 0 0.0 0 0.0 0 0.0 12 29
137 131 GLN Q S S S- 0 0 -118.1 136.5 2.3 -4.5 84.2 165.3 0 0.0 0 0.0 0 0.0 0 0.0 6 20
138 132 PRO P S S S+ 0 0 -88.4 -9.5 178.8 23.1 142.9 171.1 0 0.0 0 0.0 0 0.0 0 0.0 7 18
139 133 LYS K S g > TS- 0 0 -114.6 142.1 -179.2 -102.7 87.4 152.2 0 0.0 142 -1.1 0 0.0 0 0.0 8 23
140 134 PRO P G G > TS+ 0 0 -60.1 148.6 176.9 10.2 101.1 101.7 0 0.0 143 -2.3 0 0.0 0 0.0 10 31
141 135 LEU L G G > TS- 0 0 51.5 29.3 175.0 -60.7 134.9 42.8 0 0.0 144 -0.6 0 0.0 0 0.0 10 49
142 136 GLY G G G < TS- 0 0 80.8 9.9 179.0 -69.9 88.4 58.2 135 -1.6 133 -1.1 139 -1.1 0 0.0 15 45
143 137 GLY G G G < TS+ 0 0 80.2 23.0 -179.7 147.3 87.6 43.9 140 -2.3 0 0.0 0 0.0 0 0.0 12 37
144 138 GLY G g < T + 0 0 -55.8 -44.6 -179.2 179.1 27.8 28.0 141 -0.6 130 -2.9 0 0.0 0 0.0 14 49
145 139 GLY G + 0 0 72.3 -149.8 -175.8 12.5 43.7 112.9 0 0.0 0 0.0 0 0.0 0 0.0 7 41
146 140 GLU E S e S- 0 0 -65.3 153.0 -180.0 -106.6 79.8 99.0 0 0.0 129 -3.2 0 0.0 0 0.0 8 52
147 141 ARG R E E A G + 0 128 -82.0 124.7 -174.3 173.5 37.3 132.5 0 0.0 0 0.0 0 0.0 0 0.0 14 60
148 142 TYR Y E E A * + 0 0 -105.7 -40.6 180.0 12.3 60.6 37.9 127 -3.1 10 -2.0 0 0.0 0 0.0 12 62
149 143 ALA A E E ABG - 9 127 -142.5 155.0 -172.7 -178.4 62.9 169.1 127 -2.0 127 -2.6 0 0.0 0 0.0 11 69
150 144 CYS C E E ABG - 8 126 -157.5 146.8 177.8 -179.3 10.6 174.7 8 -2.7 8 -1.8 0 0.0 0 0.0 15 67
151 145 GLY G E E A G - 0 125 -147.1 151.0 -179.3 -126.8 24.6 173.1 125 -2.6 125 -3.4 0 0.0 0 0.0 13 58
152 146 VAL V E E A G - 0 124 -105.5 131.1 -179.5 -131.4 19.4 150.6 0 0.0 154 -0.8 0 0.0 0 0.0 14 54
153 147 ILE I E E A G 0 123 -85.1 110.0 177.1 999.9 999.9 136.4 123 -3.1 122 -2.2 0 0.0 123 -0.5 11 44
154 148 LYS K 0 0 -65.9 999.9 999.9 999.9 999.9 99.4 152 -0.8 0 0.0 0 0.0 0 0.0 6 33
1eso-.pdb
1ESO OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEETTEEEEEEEEEEEEEETTEEEEEEEE S SEEE EEEESSS B SSS BTTGGG SB TT TTSSS TTB EEE Kabs/Sand
chirality --------+-+-------------+-+-------++++--+----+---+-+-+---++------+++----+++-+-+-+--++-++-++-------- chirality
bends SS SSS S SS SSS SSS SS SS S SS SSSSS SS bends
turns TTTT TTTT TTTTTTT TTTT TTTT TTTT T turns
5-turns 5-turns
3-turns >33< >33< >3>X3<< >33< >33< >33< > 3-turns
bridge-2 BB CCCCCCCC DDD A B C bridge-2
bridge-1 AAAAAAA*AA AA**A*AAAAAA CCCCCCCC EEE FFFF D D C B EEE bridge-1
sheets AAAAAAAAAA AAAAAAAAAAAAAA AAAAAAAA BBB AAAA BBB sheets
4-turns 4-turns
summary eEEEEEEEEEETTEEEEEEEEEEEEEETTEEEEEEEEeS SEEEeEEEESSS B SSS BTgGGGgSB tTTt tTTtSStTTB EEEt summary
sequence ASEKVEMNLVTSQGVGQSIGSVTITETDKGLEFSPDLKALPPGEHGFHIHAKGSCQPATKDGKASAAESAGGHLDPQNTGKHEGPEGAGHLGDLPALVVN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTS B EEETT GGGGTTEEEEEESS SSSSSSGGGG SEEEEEEE Kabs/Sand
chirality +-+-++-----++++-++++++------+--+-+-+-+-+--+++-++---- chirality
bends SSS SS SSSSSS SS SSSSSSSSSS S bends
turns TTT TTTT TTTTTTTT TTTTTT turns
5-turns 5-turns
3-turns 33< >33< >>>>><<< 3-turns
bridge-2 GGGGGG G*GGGGG bridge-2
bridge-1 A DDD FFFF BB bridge-1
sheets AAA AAAAAA AAAAAAA sheets
4-turns 4-turns
summary TTt B EEETTt gGGGGgTEEEEEEeS SSSSSgGGGGg eEEEEEEE summary
sequence NDGKATDAVIAPRLKSLDEIKDKALMVHVGGDNMSDQPKPLGGGGERYACGVIK sequence
110 120 130 140 150