Secondary structure calculation program - copyright by David Keith Smith, 1989
1hv5A.pdb
1HV5 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 162
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 101 MET M e 0 0 999.9 160.2 177.1 999.9 999.9 999.9 0 0.0 12 -1.1 0 0.0 0 0.0 6 17
2 A 102 PHE F E E AA - 11 0 -128.6 140.3 -178.7 -160.4 999.9 163.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
3 A 103 VAL V E E AA - 10 0 -133.8 135.0 179.0 -120.8 20.5 174.5 10 -2.1 10 -2.5 0 0.0 0 0.0 9 20
4 A 104 LEU L E E AA + 9 0 -71.7 128.6 -178.9 162.8 46.3 127.3 0 0.0 0 0.0 0 0.0 0 0.0 8 18
5 A 105 SER S E E AA > T - 8 0 -159.4 115.6 -179.1 -2.7 58.3 143.2 8 -3.4 8 -0.8 0 0.0 0 0.0 7 22
6 A 106 GLY G T T 3 TS- 0 0 77.4 26.8 -179.5 -57.3 129.8 39.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
7 A 107 GLY G T T 3 TS+ 0 0 84.8 -6.5 -179.0 98.7 123.1 71.4 0 0.0 0 0.0 0 0.0 0 0.0 5 10
8 A 108 ARG R E E AA < TS- 5 0 -118.7 150.0 177.4 -117.2 78.9 147.1 5 -0.8 5 -3.4 0 0.0 10 -0.9 6 11
9 A 109 TRP W E E AA - 4 0 -82.5 109.5 -179.5 -176.4 45.1 138.4 0 0.0 0 0.0 0 0.0 0 0.0 8 15
10 A 110 GLU E E E AA - 3 0 -106.3 161.6 179.6 -109.1 26.4 131.8 3 -2.5 3 -2.1 8 -0.9 0 0.0 8 22
11 A 111 LYS K E E AA - 2 0 -90.0 142.9 -179.7 -163.6 17.9 133.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
12 A 112 THR T e + 0 0 -101.0 -14.9 179.7 89.6 66.0 52.8 1 -1.1 48 -2.1 0 0.0 14 -0.7 10 34
13 A 113 ASP D E E Bb - 48 0 -85.3 117.0 -177.2 -177.5 64.1 138.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
14 A 114 LEU L E E Bb - 49 0 -121.1 161.0 177.6 -140.0 20.7 142.3 48 -3.0 50 -2.9 12 -0.7 0 0.0 12 39
15 A 115 THR T E E Bb - 50 0 -113.1 156.3 176.6 -176.3 14.2 143.9 0 0.0 59 -1.6 0 0.0 0 0.0 11 38
16 A 116 TYR Y E E Bbc - 51 59 -147.1 154.1 -179.8 -155.8 8.3 167.3 50 -1.9 52 -2.3 0 0.0 0 0.0 13 51
17 A 117 ARG R E E B c - 0 60 -138.0 132.4 177.7 -141.9 13.6 176.4 59 -2.1 61 -2.9 0 0.0 19 -0.8 13 44
18 A 118 ILE I E E B c - 0 61 -93.3 109.5 -178.6 -175.3 19.9 148.9 0 0.0 0 0.0 0 0.0 0 0.0 9 52
19 A 119 LEU L e + 0 0 -72.6 -46.5 178.7 2.4 65.4 26.3 61 -3.3 0 0.0 17 -0.8 0 0.0 8 37
20 A 120 ARG R S S S- 0 0 -141.2 154.6 -179.2 -131.6 71.9 167.1 0 0.0 0 0.0 0 0.0 0 0.0 7 39
21 A 121 PHE F - 0 0 -109.8 160.0 178.7 -105.0 23.9 134.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
22 A 122 PRO P t > T - 0 0 -75.0 148.6 -177.4 -132.4 30.1 122.3 0 0.0 25 -0.6 0 0.0 0 0.0 8 43
23 A 123 TRP W T T 3 TS+ 0 0 -76.7 -26.9 -179.3 60.7 97.5 36.5 0 0.0 0 0.0 0 0.0 0 0.0 6 30
24 A 124 GLN Q T T 3 TS+ 0 0 -76.0 -11.0 -179.4 63.6 99.7 54.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
25 A 125 LEU L S t < TS- 0 0 -119.8 144.7 179.2 -117.5 83.8 156.1 22 -0.6 0 0.0 0 0.0 0 0.0 10 32
26 A 126 VAL V h > > T - 0 0 -75.8 139.5 -177.9 -116.4 33.6 124.5 0 0.0 30 -1.4 0 0.0 29 -1.3 7 21
27 A 127 ARG R H H > 3 TS+ 0 0 -42.0 -49.4 -177.8 55.9 109.7 36.2 0 0.0 31 -2.8 0 0.0 0 0.0 7 28
28 A 128 GLU E H H > 3 TS+ 0 0 -58.0 -35.2 -179.3 49.6 108.4 31.4 0 0.0 32 -2.3 0 0.0 0 0.0 6 25
29 A 129 GLN Q H H > < TS+ 0 0 -72.6 -36.0 179.8 49.1 110.4 31.8 26 -1.3 33 -1.9 0 0.0 0 0.0 8 28
30 A 130 VAL V H H X TS+ 0 0 -70.2 -37.9 178.8 51.3 111.7 26.0 26 -1.4 34 -2.6 0 0.0 0 0.0 10 42
31 A 131 ARG R H H X TS+ 0 0 -63.9 -46.4 -179.9 45.1 111.4 22.3 27 -2.8 35 -1.9 0 0.0 0 0.0 8 41
32 A 132 GLN Q H H X TS+ 0 0 -65.6 -35.7 179.8 51.2 113.9 30.7 28 -2.3 36 -2.1 0 0.0 0 0.0 8 35
33 A 133 THR T H H X TS+ 0 0 -67.1 -51.8 178.9 49.3 108.6 17.4 29 -1.9 37 -2.4 0 0.0 0 0.0 10 47
34 A 134 VAL V H H X TS+ 0 0 -54.7 -40.0 -179.0 47.1 114.2 25.1 30 -2.6 38 -1.3 0 0.0 0 0.0 11 58
35 A 135 ALA A H H X TS+ 0 0 -68.5 -40.4 -179.3 50.5 111.0 27.0 31 -1.9 39 -1.7 0 0.0 0 0.0 9 43
36 A 136 GLU E H H X TS+ 0 0 -68.3 -29.2 180.0 51.1 109.4 37.8 32 -2.1 40 -0.9 0 0.0 0 0.0 9 42
37 A 137 ALA A H H < TS+ 0 0 -78.4 -27.8 -179.6 47.7 111.5 36.5 33 -2.4 0 0.0 0 0.0 0 0.0 13 53
38 A 138 LEU L H H X > TS+ 0 0 -80.0 -30.4 -179.1 60.8 105.8 37.3 34 -1.3 42 -2.2 0 0.0 41 -0.8 11 57
39 A 139 GLN Q H H X 3 TS+ 0 0 -70.4 -27.4 178.3 65.7 90.5 39.4 35 -1.7 43 -1.6 0 0.0 0 0.0 9 44
40 A 140 VAL V H H < 3 TS+ 0 0 -64.8 -24.9 179.4 37.6 111.8 36.3 36 -0.9 0 0.0 0 0.0 0 0.0 11 46
41 A 141 TRP W H H 4 X TS+ 0 0 -92.3 -39.3 180.0 57.8 110.0 32.8 38 -0.8 44 -1.2 0 0.0 0 0.0 11 54
42 A 142 SER S H H < > TS+ 0 0 -63.2 -21.8 179.3 64.7 98.5 40.0 38 -2.2 45 -0.8 0 0.0 0 0.0 11 46
43 A 143 GLU E T h < 3 TS+ 0 0 -71.7 -26.9 179.7 33.6 111.5 36.3 39 -1.6 0 0.0 0 0.0 0 0.0 7 31
44 A 144 VAL V T T < TS+ 0 0 -116.3 24.7 178.8 53.5 117.9 83.7 41 -1.2 0 0.0 0 0.0 0 0.0 8 36
45 A 145 THR T S t < TS- 0 0 -146.9 166.5 -179.8 -107.9 86.7 161.0 42 -0.8 0 0.0 0 0.0 0 0.0 8 39
46 A 146 PRO P S S S+ 0 0 -77.7 0.6 -178.4 113.2 83.1 59.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
47 A 147 LEU L - 0 0 -78.5 147.9 175.9 -167.6 45.8 110.6 0 0.0 0 0.0 0 0.0 0 0.0 9 41
48 A 148 THR T E E Bb - 13 0 -128.9 152.0 -178.2 -142.3 12.3 161.2 12 -2.1 14 -3.0 0 0.0 0 0.0 8 35
49 A 149 PHE F E E Bb - 14 0 -124.6 128.7 179.2 -175.5 13.6 162.8 0 0.0 0 0.0 0 0.0 0 0.0 12 43
50 A 150 THR T E E Bb - 15 0 -122.5 134.6 179.8 -130.9 22.3 164.9 14 -2.9 16 -1.9 0 0.0 0 0.0 8 35
51 A 151 GLU E E E Bb - 16 0 -85.8 132.8 179.5 -175.1 24.7 132.7 0 0.0 0 0.0 0 0.0 0 0.0 7 36
52 A 152 VAL V e - 0 0 -121.6 154.8 -178.3 -154.0 18.6 151.0 16 -2.3 0 0.0 0 0.0 0 0.0 9 27
53 A 153 HIS H S S S+ 0 0 -116.5 14.2 179.3 36.6 71.5 75.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
54 A 154 GLU E S S S+ 0 0 -157.8 162.6 179.1 13.2 93.4 169.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
55 A 155 GLY G S S S- 0 0 64.5 -171.8 178.9 -37.7 96.3 90.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
56 A 156 ARG R - 0 0 -92.2 135.2 179.1 -173.5 59.1 139.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
57 A 157 ALA A - 0 0 -115.7 178.3 179.6 -97.4 42.3 124.6 0 0.0 0 0.0 0 0.0 0 0.0 11 33
58 A 158 ASP D S e S+ 0 0 -67.5 -32.1 178.9 34.1 117.0 31.0 0 0.0 93 -3.1 0 0.0 0 0.0 10 43
59 A 159 ILE I E E Bcd S- 16 93 -127.7 118.4 179.3 -164.5 73.3 167.2 15 -1.6 17 -2.1 0 0.0 61 -0.6 12 56
60 A 160 MET M E E Bcd - 17 94 -105.2 121.2 -178.9 -164.9 9.6 155.4 93 -3.0 95 -3.1 0 0.0 0 0.0 14 51
61 A 161 ILE I E E Bcd + 18 95 -108.5 131.2 177.5 167.9 13.0 152.9 17 -2.9 19 -3.3 59 -0.6 0 0.0 13 65
62 A 162 ASP D E E B d - 0 96 -143.5 153.8 176.4 -142.1 31.8 171.4 95 -3.0 97 -2.8 0 0.0 64 -0.6 12 58
63 A 163 PHE F E E B d + 0 97 -112.2 104.7 -177.2 158.1 41.5 160.7 0 0.0 0 0.0 0 0.0 0 0.0 12 53
64 A 164 ALA A E E B d - 0 98 -128.3 167.1 179.9 -131.7 31.7 144.4 97 -1.7 99 -2.4 62 -0.6 0 0.0 12 40
65 A 165 ARG R - 0 0 -128.3 137.7 177.2 -41.6 59.3 167.9 0 0.0 0 0.0 0 0.0 0 0.0 12 36
66 A 166 TYR Y S S S+ 0 0 59.7 -142.8 149.3 15.1 122.4 101.2 0 0.0 74 -2.1 0 0.0 68 -0.6 9 27
67 A 167 TRP W + 0 0 -51.2 105.2 -178.4 156.6 61.8 126.0 0 0.0 0 0.0 0 0.0 0 0.0 10 23
68 A 168 HIS H S S S- 0 0 -125.3 25.1 173.0 -83.6 71.0 91.5 66 -0.6 0 0.0 0 0.0 0 0.0 7 30
69 A 169 GLY G S S S+ 0 0 78.8 52.6 176.2 91.9 104.2 25.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
70 A 170 ASP D S S S- 0 0 -150.6 4.6 176.0 -108.6 92.2 67.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
71 A 171 ASN N S S S+ 0 0 74.9 14.3 176.2 96.2 98.0 51.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
72 A 172 LEU L - 0 0 -129.1 69.7 -176.4 -170.7 61.0 127.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
73 A 173 PRO P - 0 0 -65.9 142.4 175.5 -126.6 19.0 110.9 0 0.0 0 0.0 0 0.0 0 0.0 10 30
74 A 174 PHE F - 0 0 -80.9 170.8 -173.7 -137.2 10.4 110.6 66 -2.1 0 0.0 0 0.0 0 0.0 12 30
75 A 175 ASP D - 0 0 -123.5 27.3 178.8 -110.0 37.3 88.9 0 0.0 0 0.0 0 0.0 0 0.0 10 27
76 A 176 GLY G S S S+ 0 0 74.4 -166.8 -177.4 5.2 79.4 103.9 0 0.0 0 0.0 0 0.0 0 0.0 11 27
77 A 177 PRO P S S S- 0 0 -53.6 137.6 -179.7 -3.3 122.2 101.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
78 A 178 GLY G S S S+ 0 0 75.5 -164.1 -178.9 75.3 98.6 103.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
79 A 179 GLY G S S S+ 0 0 63.2 -126.2 177.3 17.4 104.3 116.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
80 A 180 ILE I - 0 0 -75.7 139.5 -178.4 -174.9 61.4 124.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
81 A 181 LEU L e - 0 0 -107.0 -24.1 -179.5 -30.6 63.9 51.0 0 0.0 98 -3.2 0 0.0 0 0.0 10 51
82 A 182 ALA A E E BE - 97 0 -178.8 173.2 177.4 -160.6 52.6 164.4 0 0.0 0 0.0 0 0.0 0 0.0 11 59
83 A 183 HIS H E E BE - 96 0 -165.3 161.6 -179.9 -144.6 9.1 163.0 96 -2.1 96 -2.8 0 0.0 0 0.0 9 57
84 A 184 ALA A E E BE + 95 0 -137.4 138.0 -179.4 169.8 21.4 176.2 0 0.0 0 0.0 0 0.0 0 0.0 12 51
85 A 185 PHE F E E BE - 94 0 -148.4 159.0 179.9 -116.3 35.2 168.3 94 -2.3 94 -2.4 0 0.0 0 0.0 8 40
86 A 186 PHE F - 0 0 -99.4 107.5 179.2 -141.8 30.9 149.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
87 A 187 PRO P t > T - 0 0 -67.1 142.5 -179.3 -142.5 5.0 117.0 0 0.0 90 -0.5 0 0.0 0 0.0 9 27
88 A 188 LYS K T T 3 TS+ 0 0 -73.7 -34.8 -174.4 51.1 97.6 31.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
89 A 189 THR T T T 3 TS+ 0 0 -87.8 3.7 178.7 51.2 110.3 67.7 0 0.0 0 0.0 0 0.0 0 0.0 4 15
90 A 190 HIS H S t < TS- 0 0 -143.4 135.9 178.7 -129.2 77.9 175.1 87 -0.5 92 -2.2 0 0.0 0 0.0 6 21
91 A 191 ARG R S S S+ 0 0 -81.1 72.4 -178.2 95.7 75.2 119.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
92 A 192 GLU E S S S- 0 0 -155.6 168.3 176.7 -111.8 74.4 165.8 90 -2.2 94 -0.6 0 0.0 0 0.0 10 38
93 A 193 GLY G E E Bd - 59 0 -106.8 118.8 -178.3 -155.0 33.6 160.2 58 -3.1 60 -3.0 0 0.0 0 0.0 12 43
94 A 194 ASP D E E BdE - 60 85 -102.8 129.4 178.4 -178.2 12.6 147.9 85 -2.4 85 -2.3 92 -0.6 0 0.0 13 51
95 A 195 VAL V E E BdE - 61 84 -129.9 123.9 -179.2 -175.5 1.4 171.5 60 -3.1 62 -3.0 0 0.0 0 0.0 15 60
96 A 196 HIS H E E BdE - 62 83 -124.1 129.0 175.5 -158.3 9.9 167.7 83 -2.8 83 -2.1 0 0.0 0 0.0 11 57
97 A 197 PHE F E E BdE - 63 82 -100.9 139.7 179.4 -107.6 34.1 147.1 62 -2.8 64 -1.7 0 0.0 99 -0.7 11 65
98 A 198 ASP D E E Bd > T - 64 0 -72.2 111.6 179.0 -153.6 23.5 126.7 81 -3.2 101 -1.7 0 0.0 0 0.0 15 53
99 A 199 TYR Y T e 3 TS+ 0 0 -56.4 -24.9 -178.5 71.2 86.4 42.4 64 -2.4 0 0.0 97 -0.7 0 0.0 10 44
100 A 200 ASP D T T 3 TS+ 0 0 -76.4 -3.3 179.8 97.8 76.5 57.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
101 A 201 GLU E S t < TS- 0 0 -82.3 159.8 176.3 -110.5 85.7 115.3 98 -1.7 103 -1.5 0 0.0 0 0.0 10 41
102 A 202 THR T e - 0 0 -86.7 88.9 -178.9 -153.5 44.6 136.3 0 0.0 111 -2.6 0 0.0 0 0.0 8 39
103 A 203 TRP W E E Cf + 111 0 -71.6 129.7 177.9 160.9 24.5 119.0 101 -1.5 0 0.0 0 0.0 0 0.0 11 48
104 A 204 THR T E E Cf - 112 0 -139.7 172.5 -179.5 -138.5 30.6 152.8 111 -2.4 113 -2.5 0 0.0 0 0.0 11 43
105 A 205 ILE I S S S- 0 0 -138.4 122.4 -179.9 -6.1 83.3 170.9 0 0.0 0 0.0 0 0.0 0 0.0 9 41
106 A 206 GLY G S S S+ 0 0 70.3 15.1 179.6 116.7 99.4 50.8 0 0.0 0 0.0 0 0.0 0 0.0 6 32
107 A 207 ASP D - 0 0 -120.4 117.3 -177.1 -152.9 55.8 162.9 0 0.0 0 0.0 0 0.0 0 0.0 8 26
108 A 208 ASN N S S S+ 0 0 -66.6 -3.3 179.3 62.0 91.4 58.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22
109 A 209 GLN Q S S S+ 0 0 -86.5 -49.5 -179.4 45.0 102.3 22.6 0 0.0 0 0.0 0 0.0 0 0.0 4 22
110 A 210 GLY G S S S- 0 0 -81.3 -164.1 179.7 -76.1 101.6 82.1 0 0.0 112 -0.7 0 0.0 0 0.0 9 31
111 A 211 THR T E E Cf - 103 0 -102.8 113.7 -177.1 -127.6 49.2 151.0 102 -2.6 104 -2.4 0 0.0 113 -0.6 12 43
112 A 212 ASP D E E >Cf T - 104 0 -69.3 113.2 -179.3 -165.1 16.8 116.1 110 -0.7 116 -2.2 0 0.0 0 0.0 13 48
113 A 213 LEU L H H > TS+ 0 0 -61.3 -37.5 -178.7 58.8 87.6 32.7 104 -2.5 117 -2.7 111 -0.6 0 0.0 10 63
114 A 214 LEU L H H > TS+ 0 0 -61.3 -44.6 -179.6 41.6 111.1 21.9 0 0.0 118 -2.1 0 0.0 0 0.0 12 58
115 A 215 GLN Q H H > TS+ 0 0 -71.3 -44.8 -179.0 46.5 115.7 22.9 0 0.0 119 -2.0 0 0.0 0 0.0 12 61
116 A 216 VAL V H H X TS+ 0 0 -65.3 -40.8 179.7 48.5 115.0 22.6 112 -2.2 120 -2.5 0 0.0 0 0.0 11 66
117 A 217 ALA A H H X TS+ 0 0 -64.7 -43.6 -179.8 50.0 110.1 22.6 113 -2.7 121 -2.9 0 0.0 0 0.0 10 72
118 A 218 ALA A H H X TS+ 0 0 -62.3 -35.7 179.0 51.6 111.7 29.2 114 -2.1 122 -1.3 0 0.0 0 0.0 13 68
119 A 219 HIS H H H X TS+ 0 0 -66.7 -46.4 179.6 45.0 111.3 21.9 115 -2.0 123 -1.3 0 0.0 0 0.0 10 66
120 A 220 GLU E H H X TS+ 0 0 -67.7 -38.0 178.2 53.5 110.1 28.1 116 -2.5 124 -2.5 0 0.0 0 0.0 12 59
121 A 221 PHE F H H X TS+ 0 0 -65.6 -26.5 177.6 60.9 103.1 32.6 117 -2.9 125 -1.8 0 0.0 0 0.0 13 66
122 A 222 GLY G H H < >TS+ 0 0 -63.2 -42.9 178.8 45.1 106.4 23.9 118 -1.3 127 -2.0 0 0.0 0 0.0 12 63
123 A 223 HIS H H H < >5TS+ 0 0 -63.9 -52.4 -178.7 55.9 108.2 16.0 119 -1.3 126 -3.4 0 0.0 0 0.0 10 50
124 A 224 VAL V H H < 35TS+ 0 0 -49.6 -36.4 -179.6 51.8 106.8 32.4 120 -2.5 0 0.0 0 0.0 0 0.0 13 55
125 A 225 LEU L T h < 35TS- 0 0 -83.3 2.9 177.9 -96.7 128.1 65.0 121 -1.8 0 0.0 0 0.0 0 0.0 6 59
126 A 226 GLY G T T <5TS+ 0 0 107.7 -14.2 -178.4 134.5 75.5 74.7 123 -3.4 0 0.0 0 0.0 0 0.0 7 43
127 A 227 LEU L t T - 0 0 -60.3 118.7 -177.5 -148.0 61.1 117.4 0 0.0 135 -1.1 0 0.0 0 0.0 7 26
133 A 233 ALA A T T 3 TS+ 0 0 -58.8 -48.9 179.4 44.9 92.0 25.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
134 A 234 LYS K T T 3 TS+ 0 0 -91.5 41.8 -179.9 120.3 89.8 98.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
135 A 235 ALA A S t X TS- 0 0 -104.7 147.3 179.4 -128.5 70.5 140.9 132 -1.1 138 -1.6 0 0.0 0 0.0 12 42
136 A 236 LEU L T T 3 TS+ 0 0 -61.8 -27.6 -177.1 51.1 111.1 35.5 0 0.0 0 0.0 0 0.0 0 0.0 11 52
137 A 237 MET M T T 3 TS+ 0 0 -100.3 21.3 178.0 129.6 76.8 83.3 0 0.0 130 -0.8 0 0.0 0 0.0 11 50
138 A 238 SER S t < T - 0 0 -68.7 154.0 179.7 -125.9 65.5 113.4 135 -1.6 0 0.0 0 0.0 0 0.0 12 40
139 A 239 PRO P S S S+ 0 0 -73.0 -23.4 -176.1 66.2 90.4 42.3 0 0.0 0 0.0 0 0.0 0 0.0 6 35
140 A 240 PHE F S S S- 0 0 -109.0 139.7 -178.4 -130.6 78.2 146.4 0 0.0 0 0.0 0 0.0 0 0.0 4 32
141 A 241 TYR Y + 0 0 -92.5 131.5 175.5 163.2 29.5 137.2 0 0.0 0 0.0 0 0.0 0 0.0 6 46
142 A 242 THR T - 0 0 -140.3 136.6 179.9 -98.1 49.9 170.0 0 0.0 0 0.0 0 0.0 0 0.0 4 38
143 A 243 PHE F + 0 0 -57.2 126.0 -177.9 172.3 53.6 113.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
144 A 244 ARG R - 0 0 -147.5 116.0 -179.3 -136.5 16.3 155.0 0 0.0 0 0.0 0 0.0 0 0.0 7 35
145 A 245 TYR Y S S S+ 0 0 -134.0 146.6 -1.0 31.7 73.0 164.5 0 0.0 0 0.0 0 0.0 0 0.0 6 33
146 A 246 PRO P S S S- 0 0 -74.3 168.9 178.8 -120.0 86.6 54.1 0 0.0 148 -0.6 0 0.0 0 0.0 4 28
147 A 247 LEU L + 0 0 -74.3 121.2 -178.0 152.1 54.1 133.0 0 0.0 0 0.0 0 0.0 0 0.0 7 45
148 A 248 SER S - 0 0 -156.0 144.5 176.6 -107.0 49.8 173.8 146 -0.6 0 0.0 0 0.0 0 0.0 7 42
149 A 249 LEU L - 0 0 -73.3 129.9 178.0 -143.9 34.5 125.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
150 A 250 SER S h > > T - 0 0 -86.8 161.4 -179.8 -100.0 31.4 121.2 0 0.0 154 -2.1 0 0.0 153 -1.1 9 33
151 A 251 PRO P H H > 3 TS+ 0 0 -50.7 -42.4 177.7 54.5 127.0 26.3 0 0.0 155 -2.6 0 0.0 0 0.0 6 26
152 A 252 ASP D H H > 3 TS+ 0 0 -61.0 -30.6 178.7 51.4 108.2 34.0 0 0.0 156 -1.7 0 0.0 0 0.0 10 29
153 A 253 ASP D H H > < TS+ 0 0 -74.0 -42.2 179.4 46.6 109.6 22.4 150 -1.1 157 -1.9 0 0.0 0 0.0 11 44
154 A 254 ARG R H H X TS+ 0 0 -65.9 -38.1 178.4 51.3 112.6 26.9 150 -2.1 158 -2.7 0 0.0 0 0.0 10 39
155 A 255 ARG R H H X TS+ 0 0 -63.2 -42.1 179.5 54.0 107.5 23.9 151 -2.6 159 -1.4 0 0.0 0 0.0 8 31
156 A 256 GLY G H H X TS+ 0 0 -58.5 -43.3 -179.9 44.0 111.4 24.4 152 -1.7 160 -1.8 0 0.0 0 0.0 9 35
157 A 257 ILE I H H X TS+ 0 0 -67.8 -43.5 178.8 53.0 111.6 22.6 153 -1.9 161 -3.6 0 0.0 0 0.0 12 39
158 A 258 GLN Q H H < TS+ 0 0 -63.1 -21.7 179.7 53.3 108.4 44.4 154 -2.7 0 0.0 0 0.0 0 0.0 8 27
159 A 259 HIS H H H < TS+ 0 0 -81.4 -42.3 179.9 33.8 117.4 26.0 155 -1.4 0 0.0 0 0.0 0 0.0 7 24
160 A 260 LEU L H H < TS+ 0 0 -80.7 -37.2 179.2 32.7 129.0 30.6 156 -1.8 0 0.0 0 0.0 0 0.0 8 29
161 A 261 TYR Y h < T 0 0 -110.8 170.5 178.6 999.9 999.9 129.2 157 -3.6 0 0.0 0 0.0 0 0.0 6 33
162 A 262 GLY G 0 0 -52.6 999.9 999.9 999.9 999.9 31.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
1hv5A.pdb
1HV5 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEETTEEEE EEEEEE S TTS HHHHHHHHHHHHHHHHTTSS EEEE SSS SEEEEEE S SSSS SSSS EEEE TTSSSEEEEEETT Kabs/Sand
chirality --+--+----+------+---++--++++++++++++++++++-+------++---+--+-+--++-+-+----+-++----+---++-+-------++ chirality
bends SSS S SSS SSSSSSSSSSSSSSSSSSSS SSS SS S SSSS SSSS SSSSS SS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTT turns
5-turns 5-turns
3-turns >33< >33<>33< >33X>3<< >33< >33 3-turns
bridge-2 ccc dddddd EEEE bridge-2
bridge-1 AAAA AAAA bbbb bbbb ccc EEEE dddddd bridge-1
sheets AAAA AAAA BBBBBB BBBB BBBBBB BBBB BBBBBB sheets
4-turns >>>>XXXXXXX5555< 5-turns
3-turns < >33< >33X33< >33< 3-turns
bridge-2 bridge-2
bridge-1 ff ff bridge-1
sheets CC CC sheets
4-turns >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary teEESS SSSEEHHHHHHHHHHHHhTt StTTtTTtSS SS hHHHHHHHHHHh summary
sequence ETWTIGDNQGTDLLQVAAHEFGHVLGLQHTTAAKALMSPFYTFRYPLSLSPDDRRGIQHLYG sequence
110 120 130 140 150 160