Secondary structure calculation program - copyright by David Keith Smith, 1989
1lo6A.pdb
1LO6 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 221
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 16 LEU L 0 0 999.9 129.2 -178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 20 65
2 A 17 VAL V B B A + 170 0 -101.1 140.6 178.0 6.1 999.9 139.7 170 -2.5 170 -1.5 0 0.0 0 0.0 13 56
3 A 18 HIS H S S S+ 0 0 71.8 22.0 179.0 106.7 100.2 49.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
4 A 19 GLY G - 0 0 -104.9 -151.0 179.1 -128.3 58.9 92.4 0 0.0 0 0.0 0 0.0 0 0.0 10 47
5 A 20 GLY G E E AA - 136 0 -154.7 172.7 180.0 -59.7 39.4 161.1 136 -2.0 136 -2.9 0 0.0 0 0.0 7 39
6 A 21 PRO P E E AA - 135 0 -63.6 136.7 178.4 -123.0 55.7 110.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
7 A 22 CYS C e - 0 0 -70.8 161.0 174.9 -97.0 29.9 108.2 134 -2.1 0 0.0 0 0.0 0 0.0 11 38
8 A 23 ASP D t > T - 0 0 -74.3 146.4 -177.8 -116.3 39.5 125.1 0 0.0 11 -1.5 0 0.0 0 0.0 6 29
9 A 24 LYS K T T 3 TS+ 0 0 -58.5 -28.8 -178.4 41.0 111.1 40.5 0 0.0 0 0.0 0 0.0 0 0.0 6 36
10 A 25 THR T T T 3 TS+ 0 0 -104.4 11.5 -176.6 86.8 93.2 71.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
11 A 26 SER S S t < TS+ 0 0 -91.1 0.0 -177.3 45.8 87.0 63.3 8 -1.5 0 0.0 0 0.0 0 0.0 6 44
12 A 27 HIS H t > T + 0 0 -140.0 53.1 -179.2 145.1 53.8 104.9 0 0.0 15 -1.7 0 0.0 0 0.0 9 56
13 A 28 PRO P T T 3 TS+ 0 0 -64.1 -17.5 -179.3 55.7 77.6 44.4 0 0.0 102 -1.5 0 0.0 0 0.0 12 55
14 A 29 TYR Y T e 3 TS+ 0 0 -91.4 -5.6 -177.6 113.9 81.6 61.1 0 0.0 30 -2.8 0 0.0 0 0.0 13 66
15 A 30 GLN Q E E BB < T - 29 0 -76.8 129.4 177.7 -168.5 45.7 121.2 12 -1.7 52 -0.5 0 0.0 0 0.0 15 80
16 A 31 ALA A E E BBC - 28 51 -111.4 151.1 174.4 -145.0 13.0 147.6 28 -2.4 28 -1.2 0 0.0 0 0.0 15 79
17 A 32 ALA A E E BBC - 27 50 -113.8 130.4 179.4 -153.4 13.1 166.9 50 -2.3 50 -2.6 0 0.0 19 -0.5 13 74
18 A 33 LEU L E E BBC - 26 49 -108.7 126.1 -178.3 -172.8 16.3 159.0 26 -3.0 25 -3.4 0 0.0 26 -1.7 13 64
19 A 34 TYR Y E E BBC + 24 48 -118.5 152.9 175.2 177.2 14.4 147.4 48 -2.8 48 -2.5 17 -0.5 0 0.0 13 47
20 A 35 THR T E E BB > TS+ 23 0 -149.9 140.0 179.8 3.1 74.9 167.1 23 -2.1 23 -2.1 0 0.0 0 0.0 12 28
21 A 36 SER S T T 3 TS- 0 0 53.3 30.5 178.4 -58.4 130.6 37.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
22 A 38 GLY G T T 3 TS+ 0 0 81.5 4.7 -178.7 96.5 117.5 59.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
23 A 39 HIS H E E BB < TS- 20 0 -129.4 148.6 178.7 -101.3 80.7 161.5 20 -2.1 20 -2.1 0 0.0 0 0.0 6 35
24 A 40 LEU L E E BB + 19 0 -66.7 137.7 180.0 170.4 38.5 115.9 0 0.0 0 0.0 0 0.0 0 0.0 9 49
25 A 41 LEU L E E B* - 0 0 -114.6 -37.4 -174.2 -15.2 57.1 47.8 18 -3.4 0 0.0 0 0.0 0 0.0 10 47
26 A 42 CYS C E E BB - 18 0 -160.0 171.6 173.2 -109.5 57.3 163.3 18 -1.7 18 -3.0 0 0.0 0 0.0 14 66
27 A 43 GLY G E E BB - 17 0 -100.8 178.6 179.2 -176.5 32.8 118.2 176 -2.9 0 0.0 0 0.0 0 0.0 17 77
28 A 44 GLY G E E BB - 16 0 -165.3 171.3 -179.1 -119.1 21.4 164.8 16 -1.2 16 -2.4 0 0.0 0 0.0 16 84
29 A 45 A VAL V E E BBD - 15 37 -130.4 124.3 177.9 -135.7 15.3 168.7 37 -2.9 37 -3.1 0 0.0 0 0.0 15 77
30 A 46 LEU L E E B D + 0 36 -73.8 122.5 179.9 163.2 33.5 129.6 14 -2.8 104 -2.2 0 0.0 0 0.0 14 71
31 A 47 ILE I E E B * + 0 0 -120.6 -1.4 -179.2 9.0 67.5 66.0 35 -2.3 0 0.0 0 0.0 0 0.0 12 63
32 A 48 HIS H E E B D> TS- 0 35 -170.4 149.9 -179.7 -98.7 86.2 157.0 35 -1.1 35 -1.7 0 0.0 0 0.0 8 45
33 A 49 PRO P T T 3 TS+ 0 0 -49.6 -28.6 -178.5 35.2 125.3 38.5 0 0.0 95 -2.9 0 0.0 0 0.0 10 45
34 A 50 LEU L T e 3 TS+ 0 0 -106.1 -0.2 -176.3 68.5 112.7 64.3 0 0.0 91 -2.7 0 0.0 0 0.0 10 47
35 A 51 TRP W E E BDE< T - 32 90 -135.9 135.1 177.0 -172.3 48.0 165.5 32 -1.7 31 -2.3 0 0.0 32 -1.1 12 59
36 A 52 VAL V E E BDE - 30 89 -116.7 129.5 178.8 -148.7 18.6 163.4 89 -2.3 89 -2.8 0 0.0 0 0.0 14 70
37 A 53 LEU L E E BDE + 29 88 -98.0 140.6 -179.3 143.4 32.5 143.7 29 -3.1 29 -2.9 0 0.0 0 0.0 13 79
38 A 54 THR T E E B E - 0 87 -157.7 -174.2 179.0 -62.3 50.6 151.0 87 -2.2 87 -2.4 0 0.0 0 0.0 16 76
39 A 55 ALA A g > T - 0 0 -85.0 145.9 179.4 -129.7 36.3 128.1 0 0.0 42 -1.8 0 0.0 0 0.0 17 72
40 A 56 ALA A G G > TS+ 0 0 -62.8 -28.3 -179.9 65.9 106.4 36.7 0 0.0 43 -1.6 0 0.0 0 0.0 13 56
41 A 57 HIS H G G 3 TS+ 0 0 -74.2 0.2 178.3 71.4 87.2 56.8 0 0.0 0 0.0 0 0.0 0 0.0 7 51
42 A 58 CYS C G G < T + 0 0 -91.4 2.3 -179.7 127.6 69.3 67.4 39 -1.8 0 0.0 0 0.0 0 0.0 10 59
43 A 59 LYS K g < T + 0 0 -65.7 126.6 178.7 147.6 26.7 116.1 40 -1.6 0 0.0 0 0.0 0 0.0 9 49
44 A 60 LYS K t > T - 0 0 -150.6 159.4 179.1 -93.6 51.8 163.6 0 0.0 47 -0.6 0 0.0 0 0.0 6 38
45 A 61 PRO P T T 3 TS+ 0 0 -79.0 151.1 177.3 15.6 105.4 122.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
46 A 62 ASN N T T 3 TS- 0 0 60.5 43.1 178.2 -172.3 81.0 29.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
47 A 63 LEU L e < T - 0 0 -67.3 142.0 177.2 -152.3 9.3 115.7 44 -0.6 68 -0.7 0 0.0 0 0.0 11 45
48 A 64 GLN Q E E BCF - 19 67 -115.4 132.4 -179.4 -151.4 6.4 164.2 19 -2.5 19 -2.8 0 0.0 0 0.0 11 48
49 A 65 VAL V E E BCF - 18 66 -110.9 129.8 179.6 -168.3 8.8 155.6 66 -2.6 66 -2.2 0 0.0 0 0.0 12 64
50 A 66 PHE F E E BCF - 17 65 -119.6 125.7 179.0 -175.0 4.7 165.5 17 -2.6 17 -2.3 0 0.0 0 0.0 13 66
51 A 67 LEU L E E BCF + 16 64 -112.7 159.8 179.8 32.5 64.8 140.0 64 -3.0 64 -2.3 0 0.0 0 0.0 13 66
52 A 69 GLY G S e S+ 0 0 70.0 17.9 179.2 142.2 82.8 46.5 15 -0.5 0 0.0 0 0.0 0 0.0 13 53
53 A 70 LYS K + 0 0 -92.9 150.4 178.3 153.3 16.3 130.5 0 0.0 0 0.0 0 0.0 0 0.0 13 57
54 A 71 HIS H S S S+ 0 0 -135.6 -57.5 178.9 33.7 72.4 61.9 0 0.0 134 -2.2 0 0.0 56 -0.6 8 51
55 A 72 ASN N B B B > T - 133 0 -110.2 115.7 -178.2 -156.9 65.6 159.3 0 0.0 58 -1.5 0 0.0 0 0.0 9 41
56 A 73 LEU L T T 3 TS+ 0 0 -66.7 -14.3 -178.0 56.8 90.8 49.4 132 -3.1 0 0.0 54 -0.6 0 0.0 8 43
57 A 74 ARG R T T 3 TS+ 0 0 -103.3 16.6 179.6 67.3 99.8 78.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
58 A 75 GLN Q S t < TS- 0 0 -138.8 131.5 178.1 -123.6 80.9 175.6 55 -1.5 0 0.0 0 0.0 0 0.0 5 20
59 A 76 ARG R - 0 0 -72.4 125.2 -177.8 -156.3 37.0 128.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
60 A 77 GLU E t > T - 0 0 -112.2 139.2 -178.2 -136.2 23.1 151.0 0 0.0 63 -1.2 0 0.0 0 0.0 9 26
61 A 78 SER S T T 3 TS+ 0 0 -59.9 -25.5 -178.6 52.8 105.9 40.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
62 A 79 SER S T T 3 TS+ 0 0 -87.9 -14.6 -177.5 114.0 81.7 52.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
63 A 80 GLN Q t < T - 0 0 -67.4 143.4 179.6 -176.4 39.8 107.9 60 -1.2 0 0.0 0 0.0 0 0.0 10 40
64 A 81 GLU E E E BF - 51 0 -137.8 138.6 -179.4 -150.7 10.2 175.1 51 -2.3 51 -3.0 0 0.0 0 0.0 10 42
65 A 82 GLN Q E E BF + 50 0 -111.3 150.8 177.2 178.4 14.5 144.2 0 0.0 0 0.0 0 0.0 0 0.0 8 48
66 A 83 SER S E E BF - 49 0 -151.1 147.5 177.8 -133.4 22.2 174.9 49 -2.2 49 -2.6 0 0.0 0 0.0 10 42
67 A 84 SER S E E BF - 48 0 -91.7 164.7 179.8 -117.3 29.3 122.8 0 0.0 92 -2.0 0 0.0 0 0.0 10 39
68 A 85 VAL V E E BG - 91 0 -104.8 130.4 179.9 -177.7 25.3 154.2 47 -0.7 0 0.0 0 0.0 0 0.0 13 43
69 A 86 VAL V E E B* S+ 0 0 -100.8 -18.5 179.2 14.1 73.0 49.4 90 -2.6 0 0.0 0 0.0 0 0.0 8 31
70 A 87 ARG R E E BG - 90 0 -157.6 137.5 178.6 -160.2 58.2 164.9 90 -1.0 90 -3.1 0 0.0 0 0.0 7 32
71 A 88 ALA A E E BG - 89 0 -122.9 120.2 -179.5 -164.2 8.0 169.4 0 0.0 73 -0.7 0 0.0 0 0.0 10 40
72 A 89 VAL V E E BG - 88 0 -108.5 100.2 179.5 -167.1 6.9 150.8 88 -3.2 88 -2.5 0 0.0 0 0.0 7 41
73 A 90 ILE I E E BG - 87 0 -83.5 140.2 -179.7 -95.2 38.7 129.9 71 -0.7 0 0.0 0 0.0 0 0.0 9 42
74 A 91 HIS H e > T - 0 0 -56.6 134.2 -179.5 -127.6 33.2 108.8 86 -2.3 77 -1.8 0 0.0 0 0.0 10 44
75 A 92 PRO P T T 3 TS+ 0 0 -54.2 -30.1 -178.4 42.9 105.9 38.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
76 A 93 ASP D T T 3 TS+ 0 0 -105.6 16.4 177.9 141.1 78.2 79.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
77 A 94 TYR Y t < T - 0 0 -57.9 135.2 177.3 -158.1 35.9 110.0 74 -1.8 79 -0.5 0 0.0 0 0.0 12 38
78 A 95 ASP D t > T - 0 0 -122.7 115.0 -177.6 -162.6 8.6 166.4 83 -2.4 82 -1.7 0 0.0 0 0.0 9 28
79 A 96 ALA A T T 4 TS+ 0 0 -73.4 -11.4 177.9 51.0 87.2 57.6 77 -0.5 0 0.0 0 0.0 0 0.0 8 31
80 A 97 ALA A T T 4 TS+ 0 0 -89.2 -55.2 -179.1 25.3 123.6 24.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
81 A 98 SER S T T 4 TS- 0 0 -82.1 -15.0 -179.0 -129.6 99.4 52.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
82 A 99 HIS H t < > T + 0 0 75.9 9.2 -179.9 162.1 49.1 56.8 78 -1.7 85 -0.9 0 0.0 0 0.0 10 45
83 A 100 ASP D T T 3 T + 0 0 -64.6 136.3 179.2 7.7 65.4 113.5 0 0.0 78 -2.4 0 0.0 0 0.0 13 43
84 A 101 GLN Q T T 3 TS- 0 0 59.5 47.7 -178.0 -179.9 79.5 26.3 0 0.0 86 -2.0 0 0.0 0 0.0 12 49
85 A 102 ASP D t < T + 0 0 -81.2 77.9 -178.0 118.9 32.8 119.7 82 -0.9 0 0.0 0 0.0 0 0.0 14 60
86 A 103 ILE I e + 0 0 -148.3 143.9 -178.6 176.1 33.8 178.5 84 -2.0 74 -2.3 0 0.0 0 0.0 15 68
87 A 104 MET M E E BEG - 38 73 -149.2 139.9 177.9 -143.4 18.7 174.5 38 -2.4 38 -2.2 0 0.0 0 0.0 13 67
88 A 105 LEU L E E BEG - 37 72 -107.2 133.9 178.9 -158.6 12.8 156.1 72 -2.5 72 -3.2 0 0.0 90 -0.5 12 64
89 A 106 LEU L E E BEG - 36 71 -113.5 122.4 178.2 -148.4 7.1 161.9 36 -2.8 36 -2.3 0 0.0 91 -0.5 13 61
90 A 107 ARG R E E BEG - 35 70 -90.0 126.4 -179.7 -135.2 19.0 141.8 70 -3.1 69 -2.6 88 -0.5 70 -1.0 11 49
91 A 108 LEU L E E B G - 0 68 -80.8 150.8 -179.7 -122.3 14.6 119.2 34 -2.7 0 0.0 89 -0.5 0 0.0 14 43
92 A 109 ALA A S e S+ 0 0 -57.8 -37.8 179.8 7.5 98.1 30.6 67 -2.0 0 0.0 0 0.0 0 0.0 9 29
93 A 110 ARG R S S S- 0 0 -143.1 152.9 -180.0 -85.1 97.0 167.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
94 A 111 PRO P - 0 0 -62.4 142.2 179.9 -102.8 52.4 108.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
95 A 112 ALA A - 0 0 -63.7 143.7 177.6 -122.2 28.0 108.9 33 -2.9 97 -0.8 0 0.0 0 0.0 9 44
96 A 113 LYS K - 0 0 -90.5 113.6 -177.0 -138.4 35.4 144.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
97 A 114 LEU L + 0 0 -78.9 151.4 179.6 138.0 37.4 109.8 95 -0.8 0 0.0 0 0.0 0 0.0 8 36
98 A 115 SER S B B C > TS- 101 0 -166.7 -174.3 179.5 -66.7 71.3 155.4 101 -2.0 101 -1.3 0 0.0 0 0.0 6 28
99 A 116 GLU E T T 3 TS+ 0 0 -60.6 -23.0 -177.5 43.9 136.1 38.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
100 A 117 LEU L T T 3 TS+ 0 0 -103.6 1.3 178.8 51.0 112.8 64.9 0 0.0 0 0.0 0 0.0 0 0.0 11 37
101 A 118 ILE I B B C < T + 98 0 -141.5 106.9 -178.2 138.9 68.8 153.8 98 -1.3 98 -2.0 0 0.0 0 0.0 14 42
102 A 119 GLN Q - 0 0 -148.8 145.1 179.1 -113.6 47.6 175.7 13 -1.5 0 0.0 0 0.0 0 0.0 10 43
103 A 120 PRO P - 0 0 -78.9 156.6 179.1 -135.7 26.2 115.9 0 0.0 0 0.0 0 0.0 0 0.0 11 47
104 A 121 LEU L - 0 0 -112.3 131.1 180.0 -122.6 19.7 160.9 30 -2.2 0 0.0 0 0.0 0 0.0 12 52
105 A 122 PRO P - 0 0 -71.5 154.8 179.6 -113.9 27.6 111.1 0 0.0 186 -2.6 0 0.0 0 0.0 8 42
106 A 123 LEU L B B d - 186 0 -88.1 145.3 175.9 -118.8 19.4 127.9 0 0.0 108 -0.7 0 0.0 0 0.0 11 49
107 A 124 GLU E - 0 0 -81.5 115.9 -179.4 -179.8 32.1 138.5 186 -2.4 0 0.0 0 0.0 0 0.0 11 44
108 A 125 ARG R + 0 0 -91.5 -19.3 -179.7 76.9 59.2 48.1 106 -0.7 110 -0.8 0 0.0 0 0.0 8 32
109 A 127 ASP D t > T - 0 0 -100.2 112.0 -179.3 -164.4 59.8 144.8 0 0.0 112 -1.9 0 0.0 0 0.0 6 28
110 A 128 CYS C T T 3 TS+ 0 0 -64.7 -14.6 180.0 57.6 90.1 49.7 108 -0.8 0 0.0 0 0.0 0 0.0 7 36
111 A 129 SER S T T 3 TS+ 0 0 -97.9 4.9 179.4 141.2 71.9 68.7 0 0.0 0 0.0 0 0.0 0 0.0 4 30
112 A 130 ALA A t < T - 0 0 -47.5 135.9 -177.6 -147.7 44.9 100.7 109 -1.9 0 0.0 0 0.0 0 0.0 6 31
113 A 132 ASN N + 0 0 -95.7 8.5 178.1 116.6 60.1 72.3 0 0.0 115 -1.5 0 0.0 0 0.0 4 26
114 A 133 THR T + 0 0 -78.7 96.2 -178.1 166.9 33.5 130.4 0 0.0 0 0.0 0 0.0 0 0.0 7 31
115 A 134 THR T e + 0 0 -88.8 -11.2 178.9 86.6 48.5 57.1 113 -1.5 141 -2.1 0 0.0 117 -0.7 7 37
116 A 135 SER S E E AH + 140 0 -92.3 117.2 -177.4 157.2 62.3 147.3 0 0.0 183 -0.5 0 0.0 0 0.0 10 37
117 A 136 CYS C E E AHI - 139 182 -134.8 173.6 177.2 -132.3 31.2 144.7 139 -3.2 139 -2.9 115 -0.7 0 0.0 13 50
118 A 137 HIS H E E AHI - 138 181 -134.5 154.3 180.0 -158.7 8.1 162.7 181 -2.3 181 -2.9 0 0.0 0 0.0 12 61
119 A 138 ILE I E E AHI - 137 180 -122.1 159.3 -179.6 -175.7 12.0 148.7 137 -2.6 137 -1.8 0 0.0 0 0.0 15 77
120 A 139 LEU L E E AH + 136 0 -156.0 154.4 179.5 117.3 15.8 174.4 179 -0.7 0 0.0 0 0.0 0 0.0 15 76
121 A 140 GLY G E E AH - 135 0 164.3 172.0 179.9 -100.7 59.7 156.1 135 -1.9 135 -2.5 0 0.0 0 0.0 13 72
122 A 141 TRP W S S S+ 0 0 -103.8 19.9 179.6 125.5 75.1 86.7 0 0.0 0 0.0 0 0.0 0 0.0 14 64
123 A 142 GLY G S S S- 0 0 -72.3 -179.9 -177.2 -47.9 72.4 93.2 0 0.0 0 0.0 0 0.0 0 0.0 14 62
124 A 143 LYS K - 0 0 -55.4 134.7 179.1 -148.0 58.6 99.4 173 -2.8 0 0.0 0 0.0 0 0.0 15 48
125 A 144 THR T t > T - 0 0 -96.5 177.7 -178.3 -86.7 34.9 112.3 129 -2.8 128 -2.3 0 0.0 0 0.0 12 41
126 A 145 ALA A T T 3 TS+ 0 0 -55.0 -32.7 -179.8 58.5 125.6 36.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
127 A 146 ASP D T T 3 TS- 0 0 -78.9 1.4 -179.7 -111.2 117.2 65.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
128 A 147 GLY G S t < TS+ 0 0 84.4 -1.7 -178.9 112.1 83.5 65.7 125 -2.3 0 0.0 0 0.0 0 0.0 6 25
129 A 150 A ASP D S S S- 0 0 -100.7 165.9 179.9 -114.5 71.2 122.0 0 0.0 125 -2.8 0 0.0 0 0.0 7 29
130 A 151 PHE F - 0 0 -104.6 125.5 -178.9 -131.5 35.7 155.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
131 A 152 PRO P - 0 0 -77.1 152.2 176.6 -147.7 10.7 111.4 0 0.0 0 0.0 0 0.0 0 0.0 10 40
132 A 153 ASP D S S S+ 0 0 -82.0 -37.9 -179.4 63.0 88.8 29.7 0 0.0 56 -3.1 0 0.0 0 0.0 8 40
133 A 154 THR T B B B S- 55 0 -92.6 130.7 -179.0 -109.0 97.9 138.7 0 0.0 0 0.0 0 0.0 0 0.0 11 44
134 A 155 ILE I e - 0 0 -56.7 141.0 -177.4 -135.8 36.0 102.0 54 -2.2 7 -2.1 0 0.0 0 0.0 12 63
135 A 156 GLN Q E E AAH - 6 121 -105.2 149.8 -179.3 -165.7 17.2 138.4 121 -2.5 121 -1.9 0 0.0 0 0.0 13 56
136 A 157 CYS C E E AAH + 5 120 -132.5 150.1 177.1 168.8 10.2 161.0 5 -2.9 5 -2.0 0 0.0 0 0.0 13 57
137 A 158 ALA A E E A H - 0 119 -160.1 146.7 178.6 -128.3 27.8 165.1 119 -1.8 119 -2.6 0 0.0 0 0.0 13 54
138 A 159 TYR Y E E A H + 0 118 -101.3 135.9 179.8 163.7 34.5 148.0 0 0.0 0 0.0 0 0.0 0 0.0 11 52
139 A 160 ILE I E E A H - 0 117 -137.8 176.8 -179.2 -115.9 29.1 145.1 117 -2.9 117 -3.2 0 0.0 0 0.0 13 55
140 A 161 HIS H E E AJH - 163 116 -124.6 146.0 177.4 -110.0 24.8 159.5 163 -2.7 163 -2.5 0 0.0 0 0.0 11 50
141 A 162 LEU L E E AJ - 162 0 -66.2 148.7 -179.8 -143.7 33.2 112.3 115 -2.1 0 0.0 0 0.0 0 0.0 11 59
142 A 163 VAL V E E AJ - 161 0 -116.1 141.9 -179.4 -101.3 23.4 156.7 161 -2.6 161 -0.5 0 0.0 0 0.0 11 50
143 A 164 SER S h > T - 0 0 -61.1 152.3 179.7 -118.3 28.6 103.6 0 0.0 147 -2.5 0 0.0 0 0.0 7 40
144 A 165 ARG R H H > TS+ 0 0 -59.9 -34.3 179.7 58.4 114.4 32.0 0 0.0 148 -3.1 0 0.0 0 0.0 8 36
145 A 166 GLU E H H > TS+ 0 0 -62.5 -45.7 179.3 41.8 109.6 21.8 0 0.0 149 -1.9 0 0.0 0 0.0 6 23
146 A 167 GLU E H H > TS+ 0 0 -68.3 -37.5 179.6 55.0 113.1 27.5 0 0.0 150 -2.3 0 0.0 0 0.0 8 31
147 A 168 CYS C H H X TS+ 0 0 -58.6 -52.1 -179.8 45.6 110.2 16.0 143 -2.5 151 -1.9 0 0.0 0 0.0 14 38
148 A 169 GLU E H H < TS+ 0 0 -61.0 -35.9 179.3 55.4 109.8 30.9 144 -3.1 0 0.0 0 0.0 0 0.0 11 31
149 A 170 HIS H H H < TS+ 0 0 -64.6 -39.5 -179.9 46.4 109.6 25.5 145 -1.9 0 0.0 0 0.0 0 0.0 7 28
150 A 171 ALA A H H < TS+ 0 0 -71.6 -33.5 -179.2 25.6 128.1 33.1 146 -2.3 0 0.0 0 0.0 0 0.0 9 34
151 A 172 TYR Y S h X > TS- 0 0 -130.5 71.3 -179.5 -153.3 88.4 129.4 147 -1.9 154 -2.1 0 0.0 155 -0.6 9 35
152 A 173 PRO P T T 4 3 TS- 0 0 -52.8 125.7 179.6 -3.0 76.3 102.7 0 0.0 0 0.0 0 0.0 0 0.0 7 24
153 A 174 GLY G T T 4 3 TS+ 0 0 68.7 16.2 -178.5 88.9 115.3 51.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
154 A 175 GLN Q T T 4 < T + 0 0 -118.5 -9.8 -177.1 89.6 61.4 59.2 151 -2.1 156 -0.6 0 0.0 0 0.0 7 35
155 A 176 ILE I t < T - 0 0 -100.0 123.5 179.6 -171.9 53.2 144.0 151 -0.6 0 0.0 0 0.0 0 0.0 10 39
156 A 177 THR T t > T - 0 0 -103.7 173.8 179.9 -100.5 42.4 123.1 154 -0.6 159 -1.8 0 0.0 0 0.0 6 43
157 A 178 GLN Q T T 3 TS+ 0 0 -65.6 -17.0 -179.4 65.4 120.7 46.4 0 0.0 0 0.0 0 0.0 0 0.0 6 40
158 A 179 ASN N T e 3 TS+ 0 0 -89.4 11.1 -179.9 76.7 93.6 72.7 0 0.0 208 -2.6 0 0.0 0 0.0 11 51
159 A 180 MET M E E A K< T - 0 207 -125.1 147.3 179.2 -167.7 56.8 158.4 156 -1.8 0 0.0 0 0.0 0 0.0 12 59
160 A 181 A LEU L E E A K - 0 206 -132.5 136.3 -178.6 -140.9 15.4 174.6 206 -2.6 206 -3.4 0 0.0 0 0.0 14 70
161 A 182 CYS C E E AJK + 142 205 -101.3 146.6 178.5 169.3 23.1 139.4 142 -0.5 142 -2.6 0 0.0 0 0.0 13 69
162 A 183 ALA A E E AJK + 141 204 -154.5 139.4 -179.1 136.6 10.4 168.4 204 -2.2 204 -2.2 0 0.0 0 0.0 13 67
163 A 184 GLY G E E AJ - 140 0 -164.3 -171.8 -178.3 -104.0 45.7 157.3 140 -2.5 140 -2.7 0 0.0 0 0.0 16 61
164 A 185 ASP D t > T - 0 0 -137.3 103.2 -178.9 -171.2 15.4 153.7 0 0.0 168 -1.7 0 0.0 0 0.0 14 43
165 A 186 GLU E T T 4 TS+ 0 0 -66.9 -16.8 -179.2 55.6 85.5 47.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
166 A 186A LYS K T T 4 TS- 0 0 -81.7 -56.5 -179.2 -2.3 131.9 16.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
167 A 186B TYR Y T T 4 TS- 0 0 -114.6 -10.1 179.6 -118.8 90.4 59.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
168 A 187 GLY G t < T - 0 0 77.1 24.7 178.5 -176.0 40.0 39.8 164 -1.7 199 -1.4 0 0.0 0 0.0 13 41
169 A 188 LYS K + 0 0 -52.5 137.4 -175.5 158.2 18.8 106.5 0 0.0 0 0.0 0 0.0 0 0.0 16 53
170 A 189 ASP D B B A - 2 0 -162.9 159.3 178.0 -102.3 43.4 173.7 2 -1.5 2 -2.5 0 0.0 0 0.0 17 67
171 A 190 A SER S - 0 0 -81.4 168.3 -177.2 -175.9 43.2 113.5 0 0.0 0 0.0 0 0.0 0 0.0 16 74
172 A 191 CYS C t > > T - 0 0 -152.3 -175.5 -179.9 -37.6 36.0 148.1 0 0.0 175 -2.7 0 0.0 176 -0.5 14 65
173 A 192 GLN Q T T 4 3 TS+ 0 0 -52.9 129.5 -179.7 25.3 126.3 106.8 0 0.0 124 -2.8 0 0.0 0 0.0 8 55
174 A 193 GLY G T T 4 3 TS+ 0 0 98.9 -21.2 178.4 83.3 103.1 81.7 0 0.0 0 0.0 0 0.0 0 0.0 12 61
175 A 194 ASP D T T 4 X T + 0 0 -87.0 -15.8 179.0 130.7 62.6 49.9 172 -2.7 178 -2.2 0 0.0 0 0.0 16 74
176 A 195 SER S T T < 3 TS+ 0 0 -37.5 133.4 177.9 18.1 70.8 89.5 172 -0.5 27 -2.9 0 0.0 0 0.0 18 68
177 A 196 GLY G T T 3 TS+ 0 0 83.3 -9.4 178.4 126.0 97.8 70.6 190 -2.8 0 0.0 0 0.0 0 0.0 17 76
178 A 197 GLY G e < T - 0 0 -75.2 171.1 -178.8 -78.9 63.8 103.1 175 -2.2 190 -2.3 0 0.0 0 0.0 18 81
179 A 198 PRO P E E A L - 0 189 -82.9 140.2 171.4 -163.4 19.8 117.7 0 0.0 120 -0.7 0 0.0 181 -0.6 15 83
180 A 199 LEU L E E AIL - 119 188 -110.1 108.1 -176.9 -163.0 31.1 170.3 188 -2.1 187 -2.7 0 0.0 188 -1.6 14 80
181 A 200 VAL V E E AIL + 118 186 -104.5 125.1 178.3 174.2 16.7 151.1 118 -2.9 118 -2.3 179 -0.6 0 0.0 12 68
182 A 201 CYS C E E AIL> TS- 117 185 -130.3 123.5 -179.9 -10.6 72.0 170.4 185 -2.5 185 -1.1 0 0.0 0 0.0 12 49
183 A 202 GLY G T e 3 TS- 0 0 58.9 39.9 179.3 -58.5 126.0 27.0 116 -0.5 0 0.0 0 0.0 0 0.0 7 33
184 A 203 ASP D T T 3 TS+ 0 0 63.8 19.6 177.3 101.4 118.7 47.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
185 A 208 HIS H E E AL < TS- 182 0 -130.6 153.3 179.4 -102.4 82.5 161.3 182 -1.1 182 -2.5 0 0.0 187 -0.6 10 47
186 A 209 LEU L E E ALd + 181 106 -77.1 116.3 -178.7 166.4 42.4 131.3 105 -2.6 107 -2.4 0 0.0 0 0.0 14 63
187 A 210 ARG R E E A* - 0 0 -102.7 -29.0 179.7 -5.9 60.3 45.2 180 -2.7 209 -1.1 185 -0.6 210 -0.6 13 66
188 A 211 GLY G E E ALM - 180 208 -156.7 176.1 177.8 -124.8 54.7 163.2 180 -1.6 180 -2.1 0 0.0 0 0.0 13 82
189 A 212 LEU L E E ALM - 179 207 -128.7 136.3 179.0 -101.1 43.0 171.1 207 -0.8 207 -2.3 0 0.0 0 0.0 17 80
190 A 213 VAL V E E A M + 0 206 -57.5 122.8 -178.0 151.7 58.2 113.9 178 -2.3 177 -2.8 0 0.0 0 0.0 16 77
191 A 214 SER S E E A * - 0 0 -121.0 -63.0 179.8 -37.2 51.5 44.6 205 -1.5 0 0.0 0 0.0 0 0.0 13 71
192 A 215 TRP W E E A M + 0 205 -156.9 -179.7 179.9 136.7 57.6 154.6 205 -2.2 205 -3.1 0 0.0 0 0.0 10 63
193 A 216 GLY G - 0 0 165.7 -159.0 -179.0 -3.5 52.2 173.2 0 0.0 0 0.0 0 0.0 0 0.0 10 63
194 A 217 ASN N - 0 0 -65.1 143.0 177.5 -128.8 60.4 106.1 0 0.0 0 0.0 0 0.0 0 0.0 10 45
195 A 218 ILE I S S S+ 0 0 -138.2 115.7 0.2 42.0 102.6 163.0 0 0.0 0 0.0 0 0.0 0 0.0 5 35
196 A 219 PRO P S S S- 0 0 -58.8 150.4 -179.5 -110.7 118.1 62.0 0 0.0 0 0.0 0 0.0 0 0.0 4 31
197 A 220 CYS C + 0 0 -61.7 144.4 -177.7 112.7 68.3 105.7 0 0.0 0 0.0 0 0.0 0 0.0 10 48
198 A 220A GLY G - 0 0 151.7 130.6 -175.2 -149.5 46.1 113.4 0 0.0 0 0.0 0 0.0 0 0.0 15 45
199 A 221 SER S + 0 0 -110.2 18.5 -179.8 104.8 63.8 81.6 168 -1.4 0 0.0 0 0.0 0 0.0 15 49
200 A 222 LYS K S S S+ 0 0 -63.7 -47.2 -179.5 12.2 103.5 18.3 0 0.0 0 0.0 0 0.0 0 0.0 12 40
201 A 223 GLU E S S S+ 0 0 -94.6 -49.3 -179.4 35.4 136.9 29.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
202 A 224 LYS K S S S- 0 0 -111.1 117.1 -179.8 -138.4 83.3 159.4 0 0.0 0 0.0 0 0.0 0 0.0 12 47
203 A 225 PRO P - 0 0 -71.6 159.5 177.0 -97.7 26.8 106.1 0 0.0 0 0.0 0 0.0 0 0.0 17 58
204 A 226 GLY G E E AK - 162 0 -71.2 150.0 -179.7 -133.1 37.0 118.5 162 -2.2 162 -2.2 0 0.0 0 0.0 16 71
205 A 227 VAL V E E AKM - 161 192 -112.2 129.2 -176.5 -173.1 24.8 158.5 192 -3.1 192 -2.2 0 0.0 191 -1.5 12 73
206 A 228 TYR Y E E AKM - 160 190 -121.9 148.5 176.4 -100.2 34.6 152.0 160 -3.4 160 -2.6 0 0.0 0 0.0 14 80
207 A 229 THR T E E AKM - 159 189 -65.2 130.3 -178.2 -121.6 42.2 122.1 189 -2.3 209 -1.6 0 0.0 189 -0.8 16 70
208 A 230 ASN N E E A M> T - 0 188 -78.6 86.4 -177.3 -173.9 32.3 126.6 158 -2.6 211 -1.6 0 0.0 0 0.0 13 62
209 A 231 VAL V G e > TS+ 0 0 -54.5 -38.8 179.6 68.9 73.7 35.5 207 -1.6 212 -2.4 187 -1.1 0 0.0 14 63
210 A 232 CYS C G T > TS+ 0 0 -53.0 -27.9 179.8 62.1 93.7 36.2 187 -0.6 213 -0.9 0 0.0 0 0.0 12 45
211 A 233 ARG R G T < TS+ 0 0 -71.2 -18.4 -176.1 52.1 101.7 46.0 208 -1.6 0 0.0 0 0.0 0 0.0 9 38
212 A 234 TYR Y G h > < T + 0 0 -105.6 11.3 -179.4 109.3 68.3 75.7 209 -2.4 216 -3.0 0 0.0 0 0.0 8 47
213 A 235 THR T H H > < TS+ 0 0 -54.4 -44.6 179.5 45.3 85.7 25.3 210 -0.9 217 -2.4 0 0.0 0 0.0 10 37
214 A 236 ASN N H H > TS+ 0 0 -66.4 -45.9 179.7 47.2 114.2 22.9 0 0.0 218 -2.4 0 0.0 0 0.0 7 27
215 A 237 TRP W H H > TS+ 0 0 -62.5 -44.3 -179.7 46.1 115.0 23.9 0 0.0 219 -2.1 0 0.0 0 0.0 7 34
216 A 238 ILE I H H X TS+ 0 0 -64.3 -46.5 -178.9 50.7 112.3 19.6 212 -3.0 220 -2.7 0 0.0 0 0.0 9 48
217 A 239 GLN Q H H X TS+ 0 0 -56.7 -50.3 -179.3 46.2 112.4 19.6 213 -2.4 221 -2.9 0 0.0 0 0.0 8 30
218 A 240 LYS K H H < TS+ 0 0 -61.8 -39.4 -179.9 49.9 113.1 29.0 214 -2.4 0 0.0 0 0.0 0 0.0 7 22
219 A 241 THR T H H < TS+ 0 0 -67.1 -43.6 -179.2 39.5 117.1 22.3 215 -2.1 0 0.0 0 0.0 0 0.0 6 27
220 A 242 ILE I H H < T 0 0 -72.2 -48.4 -179.3 999.9 999.9 22.0 216 -2.7 0 0.0 0 0.0 0 0.0 6 33
221 A 243 GLN Q h < T 0 0 -75.6 999.9 999.9 999.9 999.9 62.4 217 -2.9 0 0.0 0 0.0 0 0.0 4 17
1lo6A.pdb
1LO6 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand BS EE TTS TTEEEEEETTEEEEEEEEEETTEEEE GGG TT EEEES SBTTS TT EEEEEEEEEE TT TTT TT EEEEESS BTT Kabs/Sand
chirality ++-----++++++----++-+-+-----++-++--+--++++-+-----++++-++---++--+---+-----++--++-++-++-----+----+-++ chirality
bends S SSS SS SSSS SSS SS SS S S SSS SS S SS SSS S SS SSS bends
turns TTTTTTTT TTTT TTTT TTTTTTTTT TTTT TTTT TTTTTTTTTTTT TTT turns
5-turns 5-turns
3-turns >33<>33< >33< >33< >>3<<>33< >33< >33< >33< >33< >33 3-turns
bridge-2 CCCC DD*D EEEE FFFF GGGGG bridge-2
bridge-1 A AA BBBBBB BB*BBBB DDD CCCC B FFFFG*GGGG EEEE C bridge-1
sheets AA BBBBBB BBBBBBBBBB BBBB BBBB BBBBBBBBBB BBBBB sheets
4-turns >444< 4-turns
summary BS EEetTTttTeEEEEEETTEEEEEEEEEETeEEEEgGGGgtTTeEEEEe SBTTt tTTtEEEEEEEEEEeTTttTTTtTTteEEEEEeS BTT summary
sequence LVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLRQRESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSEL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand B B TT EEEEEESS TTSS SB EEEEEEEE HHHHHHHSTTT TTEEEEE TTT B TTTTT EEEETTEEEEEEEE SS S Kabs/Sand
chirality +------+-++-++++---+-+---+-+---+---+-+-----+++++++--++--++--++--+---+---+++++---+--+-+---+-+--+-+-++ chirality
bends SS SS SSSS SS SSSSSSSSSS SS SSS SS SS SSSS SS S bends
turns T TTTT TTTT TTTTTTTTTTTTTTTTT TTTTT TTTTTTT TTTT turns
5-turns 5-turns
3-turns < >33< >33< >33< >33< >33X33< >33< 3-turns
bridge-2 III HHHHHH KKKK LLLL d MMM*M bridge-2
bridge-1 C d HHHHHH B AA JJJ JJJ A III LL*LL bridge-1
sheets AAAAAA AAAAAAAA AAAAA AAAA AAAAAAAA sheets
4-turns >>>>X<<444< >444< 4-turns
summary B B tTTt eEEEEEESS tTTtS SBeEEEEEEEEhHHHHHHHhTTTttTeEEEEEtTTTt B tTTTTTeEEEEeTEEEEEEEE SS S summary
sequence IQPLPLERDCSANTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS EEEEEGGGGHHHHHHHH Kabs/Sand
chirality +-------+++++++++++ chirality
bends SS SSS SSSSSSS bends
turns TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>><<< 3-turns
bridge-2 MMMM bridge-2
bridge-1 KKKK bridge-1
sheets AAAAA sheets
4-turns >>>>XX<<<< 4-turns
summary SS EEEEEeTThHHHHHHHHh summary
sequence EKPGVYTNVCRYTNWIQKTIQ sequence
210 220