Secondary structure calculation program - copyright by David Keith Smith, 1989
1gkdA.pdb
1GKD HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 159
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 110 PHE F 0 0 999.9 35.3 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 36
2 A 111 GLU E + 0 0 -134.7 80.6 179.8 161.2 999.9 134.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
3 A 112 GLY G - 0 0 -87.0 -167.9 -179.5 -125.2 40.8 94.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
4 A 113 ASP D + 0 0 -135.3 39.8 -179.7 101.4 68.4 97.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
5 A 114 LEU L - 0 0 -124.4 155.4 177.5 -161.5 45.9 151.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
6 A 115 LYS K - 0 0 -126.4 170.7 179.6 -84.5 37.1 142.8 0 0.0 0 0.0 0 0.0 0 0.0 10 39
7 A 116 TRP W - 0 0 -78.7 140.2 179.0 -151.5 25.4 125.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
8 A 117 HIS H S S S+ 0 0 -89.6 -1.1 177.1 55.0 79.8 63.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
9 A 118 HIS H - 0 0 -126.5 159.9 -178.4 -149.1 67.2 152.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
10 A 119 HIS H S e S+ 0 0 -105.6 -11.6 178.6 82.0 79.8 55.1 0 0.0 46 -2.4 0 0.0 12 -1.2 8 35
11 A 120 ASN N E E Aa - 46 0 -96.6 82.4 -178.0 -175.2 67.9 134.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
12 A 121 ILE I E E Aa - 47 0 -83.3 138.0 179.9 -155.3 8.5 125.7 46 -1.8 48 -2.5 10 -1.2 0 0.0 12 49
13 A 122 THR T E E Aa - 48 0 -113.4 152.1 178.3 -167.2 7.4 145.1 0 0.0 57 -2.7 0 0.0 56 -0.5 11 44
14 A 123 TYR Y E E Aab - 49 57 -139.3 151.1 -179.8 -156.6 8.1 170.8 48 -2.2 50 -2.6 0 0.0 0 0.0 13 56
15 A 124 TRP W E E A b - 0 58 -131.5 125.0 178.6 -146.2 12.8 169.9 57 -2.5 59 -3.2 0 0.0 17 -1.2 14 43
16 A 125 ILE I E E A b - 0 59 -89.2 97.5 -177.8 -176.4 20.4 140.6 0 0.0 0 0.0 0 0.0 0 0.0 9 46
17 A 126 GLN Q e - 0 0 -63.0 -46.6 179.1 -16.3 59.1 27.1 59 -2.0 0 0.0 15 -1.2 0 0.0 8 35
18 A 127 ASN N - 0 0 -150.0 -177.2 -177.4 -117.6 65.0 151.6 59 -0.7 0 0.0 0 0.0 0 0.0 7 36
19 A 128 TYR Y - 0 0 -129.2 167.2 177.2 -113.2 18.0 144.6 0 0.0 0 0.0 0 0.0 0 0.0 9 38
20 A 129 SER S - 0 0 -93.0 155.7 179.9 -131.1 23.8 129.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
21 A 130 GLU E S S S+ 0 0 -85.2 -4.1 -178.3 76.7 94.7 59.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
22 A 131 ASP D S S S+ 0 0 -78.8 -25.1 -177.8 30.0 97.7 43.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
23 A 132 LEU L S S S- 0 0 -137.3 157.4 179.5 -91.8 88.1 161.1 0 0.0 0 0.0 0 0.0 0 0.0 9 30
24 A 133 PRO P h > > T - 0 0 -63.5 146.4 -179.4 -119.2 38.2 109.2 0 0.0 28 -1.9 0 0.0 27 -0.6 7 22
25 A 134 ARG R H H > 3 TS+ 0 0 -56.9 -35.0 -179.9 56.8 113.9 30.6 0 0.0 29 -2.7 0 0.0 0 0.0 7 26
26 A 135 ALA A H H > 3 TS+ 0 0 -64.8 -36.9 179.3 48.9 106.3 31.4 0 0.0 30 -1.9 0 0.0 0 0.0 6 22
27 A 136 VAL V H H > < TS+ 0 0 -70.1 -37.6 179.5 48.4 113.0 29.0 24 -0.6 31 -2.1 0 0.0 0 0.0 8 27
28 A 137 ILE I H H X TS+ 0 0 -68.9 -45.7 179.0 49.7 110.1 22.3 24 -1.9 32 -2.3 0 0.0 0 0.0 11 42
29 A 138 ASP D H H X TS+ 0 0 -56.9 -49.1 -179.3 47.5 113.7 18.3 25 -2.7 33 -2.4 0 0.0 0 0.0 8 41
30 A 139 ASP D H H X TS+ 0 0 -59.7 -43.5 -180.0 53.2 109.2 27.7 26 -1.9 34 -2.6 0 0.0 0 0.0 8 34
31 A 140 ALA A H H X TS+ 0 0 -61.0 -44.1 179.2 45.7 111.2 25.4 27 -2.1 35 -1.5 0 0.0 0 0.0 10 42
32 A 141 PHE F H H X TS+ 0 0 -66.0 -42.6 179.3 51.3 112.3 24.3 28 -2.3 36 -2.2 0 0.0 0 0.0 11 55
33 A 142 ALA A H H X TS+ 0 0 -61.3 -44.5 179.4 48.0 110.4 23.1 29 -2.4 37 -1.9 0 0.0 0 0.0 8 41
34 A 143 ARG R H H X TS+ 0 0 -66.2 -29.1 180.0 56.4 108.8 33.6 30 -2.6 38 -0.9 0 0.0 0 0.0 9 38
35 A 144 ALA A H H X > TS+ 0 0 -68.1 -45.1 178.6 44.8 108.6 21.7 31 -1.5 39 -0.7 0 0.0 38 -0.6 13 52
36 A 145 PHE F H H X > TS+ 0 0 -65.9 -33.4 -179.4 64.5 104.7 32.1 32 -2.2 40 -2.0 0 0.0 39 -0.7 11 56
37 A 146 ALA A H H X 3 TS+ 0 0 -59.8 -30.7 179.5 65.1 91.4 37.4 33 -1.9 41 -1.5 0 0.0 0 0.0 8 39
38 A 147 LEU L H H < < TS+ 0 0 -57.9 -45.1 -178.0 37.2 109.5 23.9 34 -0.9 0 0.0 35 -0.6 0 0.0 10 45
39 A 148 TRP W H H < X TS+ 0 0 -80.3 -36.1 179.9 53.6 112.5 32.9 35 -0.7 42 -0.7 36 -0.7 0 0.0 10 54
40 A 149 SER S H H < > TS+ 0 0 -71.8 -19.6 179.9 67.5 99.5 40.6 36 -2.0 43 -0.8 0 0.0 0 0.0 11 41
41 A 150 ALA A T h < 3 TS+ 0 0 -67.6 -31.2 -179.0 34.4 108.9 33.9 37 -1.5 0 0.0 0 0.0 0 0.0 7 31
42 A 151 VAL V T T < TS+ 0 0 -110.0 16.8 179.4 42.7 121.5 79.1 39 -0.7 0 0.0 0 0.0 0 0.0 8 32
43 A 152 THR T S t < TS- 0 0 -148.3 176.3 179.5 -105.6 85.0 153.2 40 -0.8 0 0.0 0 0.0 0 0.0 9 35
44 A 153 PRO P S S S+ 0 0 -89.5 6.8 179.9 115.2 82.0 70.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
45 A 154 LEU L - 0 0 -75.7 154.9 176.8 -166.2 46.2 111.6 0 0.0 0 0.0 0 0.0 0 0.0 10 38
46 A 155 THR T E E Aa - 11 0 -137.0 157.2 -178.5 -142.4 9.5 161.4 10 -2.4 12 -1.8 0 0.0 0 0.0 8 36
47 A 156 PHE F E E Aa - 12 0 -130.2 128.8 -178.6 -169.8 12.0 170.3 0 0.0 0 0.0 0 0.0 0 0.0 10 44
48 A 157 THR T E E Aa - 13 0 -121.3 126.5 179.6 -134.5 18.6 164.0 12 -2.5 14 -2.2 0 0.0 0 0.0 8 34
49 A 158 ARG R E E Aa + 14 0 -80.7 127.9 179.4 171.4 32.1 129.7 0 0.0 0 0.0 0 0.0 0 0.0 7 36
50 A 159 VAL V e - 0 0 -124.6 177.4 -179.7 -136.7 32.8 134.6 14 -2.6 0 0.0 0 0.0 0 0.0 8 25
51 A 160 TYR Y S S S+ 0 0 -126.9 22.4 179.2 83.9 70.5 83.0 0 0.0 0 0.0 0 0.0 0 0.0 8 22
52 A 161 SER S S t > TS- 0 0 -121.5 165.1 -179.7 -112.0 84.4 143.8 0 0.0 55 -1.2 0 0.0 0 0.0 6 22
53 A 162 ARG R T T 3 TS+ 0 0 -71.2 -4.2 -179.4 84.4 105.2 58.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
54 A 163 ASP D T T 3 T + 0 0 -79.1 2.1 179.4 117.5 63.5 65.7 0 0.0 0 0.0 0 0.0 0 0.0 4 26
55 A 164 ALA A t < T - 0 0 -66.8 154.3 178.8 -132.5 69.0 107.4 52 -1.2 0 0.0 0 0.0 0 0.0 12 36
56 A 165 ASP D S S S+ 0 0 -72.9 -47.5 -178.8 39.8 96.9 20.9 13 -0.5 58 -0.6 0 0.0 0 0.0 11 48
57 A 166 ILE I E E Ab S- 14 0 -109.4 109.0 178.9 -167.7 72.9 153.0 13 -2.7 15 -2.5 0 0.0 59 -0.5 12 58
58 A 167 VAL V E E Ab - 15 0 -97.7 127.6 -178.4 -152.9 9.2 146.9 56 -0.6 93 -2.1 0 0.0 0 0.0 14 52
59 A 168 ILE I E E Abc + 16 93 -103.4 132.1 -177.3 171.1 19.6 147.6 15 -3.2 17 -2.0 57 -0.5 18 -0.7 12 65
60 A 169 GLN Q E E A c - 0 94 -145.1 142.3 177.3 -147.0 27.7 177.2 93 -2.0 95 -2.5 0 0.0 62 -0.5 11 55
61 A 170 PHE F E E A c + 0 95 -105.7 126.3 -179.1 171.2 34.8 157.9 0 0.0 0 0.0 0 0.0 0 0.0 11 50
62 A 171 GLY G E E A c - 0 96 -137.5 168.8 179.9 -135.7 30.2 152.7 95 -2.4 97 -2.7 60 -0.5 0 0.0 11 40
63 A 172 VAL V - 0 0 -123.8 134.4 179.7 -44.0 66.5 167.2 0 0.0 0 0.0 0 0.0 0 0.0 11 36
64 A 173 ALA A S S S+ 0 0 46.3 -130.4 179.5 13.5 127.5 98.8 0 0.0 72 -1.9 0 0.0 0 0.0 9 27
65 A 174 GLU E S S S+ 0 0 -75.6 124.6 -176.4 165.9 73.2 129.8 0 0.0 0 0.0 0 0.0 0 0.0 10 24
66 A 175 HIS H - 0 0 -132.2 27.5 179.2 -62.9 61.9 86.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
67 A 176 GLY G S S S+ 0 0 132.9 -78.3 179.3 67.7 109.2 127.2 0 0.0 0 0.0 0 0.0 0 0.0 4 27
68 A 177 ASP D S S S- 0 0 -65.2 -173.7 -179.3 -92.0 97.5 86.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
69 A 178 GLY G S S S+ 0 0 -98.1 39.0 179.7 80.3 103.0 95.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
70 A 179 TYR Y - 0 0 -143.6 79.5 -179.9 -164.8 63.4 127.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
71 A 180 PRO P - 0 0 -63.2 151.5 179.3 -112.5 23.4 102.3 0 0.0 0 0.0 0 0.0 0 0.0 9 30
72 A 181 PHE F - 0 0 -79.5 167.4 -176.8 -128.1 19.8 110.7 64 -1.9 0 0.0 0 0.0 0 0.0 12 30
73 A 182 ASP D - 0 0 -112.6 34.9 179.9 -107.6 40.0 93.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
74 A 183 GLY G S S S+ 0 0 72.1 -170.0 -178.4 2.5 79.8 101.4 0 0.0 0 0.0 0 0.0 0 0.0 10 27
75 A 184 LYS K S S S- 0 0 -54.7 135.7 -179.1 -9.4 119.1 99.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
76 A 185 ASP D S S S+ 0 0 66.2 -177.9 -178.7 73.7 98.5 88.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
77 A 186 GLY G S S S+ 0 0 79.9 -127.4 179.9 31.3 99.2 133.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
78 A 187 LEU L - 0 0 -67.0 117.2 -179.5 -174.9 65.9 120.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38
79 A 188 LEU L e - 0 0 -82.7 -37.9 -178.7 -41.2 57.8 29.2 0 0.0 96 -2.1 0 0.0 0 0.0 10 48
80 A 189 ALA A E E AD - 95 0 -175.2 173.5 178.9 -145.8 51.5 165.4 0 0.0 0 0.0 0 0.0 0 0.0 11 59
81 A 190 HIS H E E AD - 94 0 -156.0 156.3 -179.8 -165.8 6.3 172.8 94 -1.9 94 -2.6 0 0.0 0 0.0 9 62
82 A 191 ALA A E E AD - 93 0 -140.0 167.7 -179.3 -120.9 18.5 155.8 0 0.0 0 0.0 0 0.0 0 0.0 13 55
83 A 192 PHE F e - 0 0 -115.7 148.0 179.9 -104.1 30.4 150.3 92 -1.9 0 0.0 0 0.0 0 0.0 13 45
84 A 193 PRO P - 0 0 -60.5 161.0 -180.0 -66.5 59.5 96.6 0 0.0 91 -0.6 0 0.0 0 0.0 17 41
85 A 194 PRO P S S S+ 0 0 -50.7 144.9 -179.7 92.4 85.9 95.7 0 0.0 0 0.0 0 0.0 0 0.0 13 44
86 A 195 GLY G S S S- 0 0 155.4 -176.5 -179.8 -50.6 70.8 159.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
87 A 196 PRO P S t > TS+ 0 0 -85.9 167.2 178.5 0.6 95.6 111.6 0 0.0 90 -1.7 0 0.0 0 0.0 7 30
88 A 197 GLY G T T 3 TS- 0 0 62.8 -128.8 -178.7 0.0 136.9 111.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
89 A 198 ILE I T T > TS+ 0 0 -67.2 -21.3 179.5 109.1 107.6 41.7 0 0.0 92 -2.0 0 0.0 0 0.0 8 40
90 A 199 GLN Q T T < TS+ 0 0 -56.2 134.0 179.7 21.3 81.1 106.2 87 -1.7 0 0.0 0 0.0 0 0.0 10 45
91 A 200 GLY G T T 3 TS+ 0 0 93.4 -18.8 -179.2 129.2 93.7 80.1 84 -0.6 0 0.0 0 0.0 0 0.0 17 55
92 A 201 ASP D e < T - 0 0 -70.3 159.2 -180.0 -145.5 46.5 102.5 89 -2.0 83 -1.9 0 0.0 0 0.0 12 61
93 A 202 ALA A E E AcD - 59 82 -132.2 128.2 -178.6 -167.5 11.1 173.9 58 -2.1 60 -2.0 0 0.0 0 0.0 15 66
94 A 203 HIS H E E AcD - 60 81 -117.4 138.0 179.6 -157.5 4.5 157.0 81 -2.6 81 -1.9 0 0.0 0 0.0 11 59
95 A 204 PHE F E E AcD - 61 80 -117.9 135.2 -179.8 -122.1 22.2 161.2 60 -2.5 62 -2.4 0 0.0 97 -0.7 10 64
96 A 205 ASP D E E Ac > T - 62 0 -75.1 114.2 -178.7 -164.9 19.3 128.3 79 -2.1 99 -1.2 0 0.0 0 0.0 14 45
97 A 206 ASP D T e 3 TS+ 0 0 -82.7 3.0 176.1 79.3 79.6 62.7 62 -2.7 0 0.0 95 -0.7 0 0.0 10 42
98 A 207 ASP D T T 3 TS+ 0 0 -80.7 -4.2 178.4 85.2 84.5 56.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
99 A 208 GLU E S t < TS- 0 0 -90.2 156.8 177.3 -113.9 91.3 125.7 96 -1.2 101 -0.8 0 0.0 0 0.0 11 40
100 A 209 LEU L e - 0 0 -93.7 109.9 -179.2 -154.7 35.1 146.4 0 0.0 109 -2.5 0 0.0 0 0.0 9 38
101 A 210 TRP W E E Be + 109 0 -91.3 134.2 -179.5 135.9 30.7 137.7 99 -0.8 0 0.0 0 0.0 0 0.0 12 46
102 A 211 SER S E E Be - 110 0 -149.0 -159.7 179.7 -114.2 41.0 132.1 109 -2.7 111 -2.7 0 0.0 0 0.0 11 40
103 A 212 LEU L + 0 0 -151.2 150.4 179.3 4.3 64.5 170.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
104 A 213 GLY G S S S- 0 0 74.0 -162.2 179.5 -16.2 105.4 104.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
105 A 214 LYS K S S S+ 0 0 -76.6 150.7 179.9 64.0 99.0 118.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
106 A 215 GLY G S S S- 0 0 127.3 179.5 -179.5 -32.6 89.6 133.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
107 A 391 GLN Q S S S+ 0 0 -71.5 159.1 -178.2 41.5 99.5 105.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
108 A 392 GLY G S S S- 0 0 92.0 172.2 -179.7 -68.7 94.2 103.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
109 A 393 TYR Y E E Be - 101 0 -106.5 142.5 179.6 -108.4 44.7 145.9 100 -2.5 102 -2.7 0 0.0 111 -0.6 10 41
110 A 394 SER S E E >Be T - 102 0 -69.2 112.7 179.8 -162.1 20.5 121.6 0 0.0 114 -2.2 0 0.0 0 0.0 11 46
111 A 395 LEU L H H > TS+ 0 0 -61.4 -36.1 179.8 55.9 90.9 28.4 102 -2.7 115 -2.2 109 -0.6 0 0.0 11 60
112 A 396 PHE F H H > TS+ 0 0 -60.6 -52.2 -179.0 41.4 109.9 21.3 0 0.0 116 -1.9 0 0.0 0 0.0 11 57
113 A 397 LEU L H H > TS+ 0 0 -67.6 -39.4 179.7 48.8 116.0 29.2 0 0.0 117 -1.5 0 0.0 0 0.0 10 56
114 A 398 VAL V H H X TS+ 0 0 -68.5 -39.0 179.0 51.4 110.6 27.5 110 -2.2 118 -2.4 0 0.0 0 0.0 12 62
115 A 399 ALA A H H X TS+ 0 0 -63.0 -43.5 179.4 55.3 105.9 24.1 111 -2.2 119 -3.0 0 0.0 0 0.0 10 67
116 A 400 ALA A H H X TS+ 0 0 -54.8 -44.9 179.5 45.9 110.8 24.5 112 -1.9 120 -1.1 0 0.0 0 0.0 13 68
117 A 401 HIS H H H X TS+ 0 0 -65.6 -45.7 179.3 49.0 112.7 26.0 113 -1.5 121 -1.3 0 0.0 0 0.0 10 68
118 A 402 GLN Q H H X TS+ 0 0 -62.7 -41.8 -179.8 52.8 109.1 25.4 114 -2.4 122 -2.1 0 0.0 0 0.0 12 64
119 A 403 PHE F H H X TS+ 0 0 -65.2 -27.2 178.1 62.6 100.9 36.1 115 -3.0 123 -0.9 0 0.0 0 0.0 12 71
120 A 404 GLY G H H < >>TS+ 0 0 -62.1 -43.8 178.6 43.5 106.7 21.8 116 -1.1 125 -2.2 0 0.0 123 -0.6 11 73
121 A 405 HIS H H H < >5TS+ 0 0 -66.8 -39.3 179.9 58.8 107.8 27.3 117 -1.3 124 -1.4 0 0.0 0 0.0 14 58
122 A 406 ALA A H H < 35TS+ 0 0 -63.8 -17.8 179.3 50.8 105.8 47.1 118 -2.1 0 0.0 0 0.0 0 0.0 16 66
123 A 407 LEU L T h < <5TS- 0 0 -96.2 -8.5 179.2 -94.2 129.4 59.3 119 -0.9 0 0.0 120 -0.6 0 0.0 11 66
124 A 408 GLY G T T <5TS+ 0 0 113.7 -4.7 -179.7 140.6 75.8 68.0 121 -1.4 0 0.0 0 0.0 0 0.0 14 50
125 A 409 LEU L t T - 0 0 -87.5 116.4 -180.0 -148.1 66.5 139.4 0 0.0 133 -1.9 0 0.0 0 0.0 7 25
131 A 415 PRO P T T 3 TS+ 0 0 -51.3 -33.2 -179.4 52.7 99.1 37.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
132 A 416 GLU E T T 3 TS+ 0 0 -80.1 -15.9 -178.5 102.3 89.3 48.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
133 A 417 ALA A S t X TS- 0 0 -72.9 146.7 179.5 -131.7 74.4 112.0 130 -1.9 136 -1.5 0 0.0 0 0.0 13 39
134 A 418 LEU L T T 3 TS+ 0 0 -64.2 -31.2 -179.2 59.2 107.8 35.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
135 A 419 MET M T T 3 TS+ 0 0 -82.6 10.1 177.9 125.7 75.0 71.1 0 0.0 128 -1.6 0 0.0 0 0.0 11 51
136 A 420 TYR Y S t < TS- 0 0 -67.8 133.9 -179.1 -123.9 70.7 121.4 133 -1.5 0 0.0 0 0.0 0 0.0 12 38
137 A 421 PRO P S S S+ 0 0 -60.3 -4.7 -179.9 77.5 87.2 61.6 0 0.0 0 0.0 0 0.0 0 0.0 6 36
138 A 422 MET M S S S- 0 0 -112.8 137.4 179.2 -117.8 83.8 153.7 0 0.0 0 0.0 0 0.0 0 0.0 4 31
139 A 423 TYR Y + 0 0 -72.3 135.0 177.2 164.9 39.5 120.7 0 0.0 0 0.0 0 0.0 0 0.0 6 43
140 A 424 ARG R - 0 0 -152.1 124.4 -179.1 -127.8 31.9 158.2 0 0.0 0 0.0 0 0.0 0 0.0 4 39
141 A 425 PHE F + 0 0 -76.0 141.9 179.8 171.9 34.0 119.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
142 A 426 THR T - 0 0 -149.9 150.3 178.2 -142.1 24.9 176.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
143 A 427 GLU E + 0 0 -101.7 170.2 -179.8 30.1 68.3 124.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
144 A 428 GLY G S S S- 0 0 73.9 -174.7 -179.7 -2.1 113.1 98.5 0 0.0 0 0.0 0 0.0 0 0.0 4 22
145 A 429 PRO P - 0 0 -53.3 121.9 -179.6 -156.8 59.7 104.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
146 A 430 PRO P + 0 0 -70.7 -39.1 -178.0 84.7 65.5 32.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47
147 A 431 LEU L - 0 0 -77.1 128.6 178.5 -155.0 63.5 122.6 0 0.0 0 0.0 0 0.0 0 0.0 10 48
148 A 432 HIS H h > > T - 0 0 -93.7 157.2 -179.4 -105.1 34.1 127.8 0 0.0 152 -2.1 0 0.0 151 -1.2 10 36
149 A 433 LYS K H H > 3 TS+ 0 0 -52.4 -32.4 -180.0 60.3 122.8 34.6 0 0.0 153 -2.8 0 0.0 0 0.0 7 30
150 A 434 ASP D H H > 3 TS+ 0 0 -64.3 -37.8 179.1 46.1 106.1 26.5 0 0.0 154 -1.8 0 0.0 0 0.0 10 31
151 A 435 ASP D H H > < TS+ 0 0 -69.0 -44.0 -179.5 49.6 113.1 24.0 148 -1.2 155 -2.3 0 0.0 0 0.0 12 45
152 A 436 VAL V H H X TS+ 0 0 -62.5 -43.1 179.1 46.6 112.4 26.1 148 -2.1 156 -2.1 0 0.0 0 0.0 10 41
153 A 437 ASN N H H X TS+ 0 0 -66.9 -37.3 -180.0 53.8 111.4 28.4 149 -2.8 157 -1.4 0 0.0 0 0.0 8 32
154 A 438 GLY G H H X TS+ 0 0 -63.9 -44.8 -179.1 42.2 111.6 23.8 150 -1.8 158 -0.8 0 0.0 0 0.0 9 38
155 A 439 ILE I H H X > TS+ 0 0 -70.4 -43.3 179.3 51.9 113.1 23.4 151 -2.3 159 -2.5 0 0.0 158 -0.8 11 47
156 A 440 ARG R H H < 3 TS+ 0 0 -62.8 -27.9 -179.8 62.8 102.0 37.3 152 -2.1 0 0.0 0 0.0 0 0.0 9 30
157 A 441 HIS H H H < 3 TS+ 0 0 -67.1 -31.5 179.5 36.7 111.4 33.0 153 -1.4 0 0.0 0 0.0 0 0.0 6 26
158 A 442 LEU L H H < < T 0 0 -85.9 -43.2 -177.4 999.9 999.9 27.7 155 -0.8 0 0.0 154 -0.8 0 0.0 7 32
159 A 443 TYR Y h < T 0 0 -112.6 999.9 999.9 999.9 999.9 41.1 155 -2.5 0 0.0 0 0.0 0 0.0 7 32
1gkdA.pdb
1GKD HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S SEEEEEE SSS HHHHHHHHHHHHHHHHTTSS EEEE SSTT SEEEEEE SS SSS SSSS EEE SSSTTTT EEEETTS Kabs/Sand
chirality +-+---+-+----------++--++++++++++++++++++-+----+-+-++-+--+-+--++-+-+----+-++-------+-+-+++-----++-- chirality
bends S S SSS SSSSSSSSSSSSSSSSSSSS SSS SS SS SSS SSSS SSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >>33<< >33< >3><3< >33< 3-turns
bridge-2 bbb cccc DDD bridge-2
bridge-1 aaaa aaaa bbb DDD cccc bridge-1
sheets AAAAAA AAAA AAAAAA AAA AAAA sheets
4-turns >>>>XXXXXXXXXX<<<< 4-turns
summary S eEEEEEEe SSShHHHHHHHHHHHHHHHHhTtS EEEEeStTTtSEEEEEE SS SSS SSSS eEEEe SStTTTTeEEEEeTte summary
sequence FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDEL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE SSSSSEEHHHHHHHHHHHHTT S TTSTTSSS S HHHHHHHHHH Kabs/Sand
chirality +-+-+-+---++++++++++++-+----+-++-++-+-+-+-+--+--+++++++++ chirality
bends SSSSS SSSSSSSSSSSSSS S SSSSSSSS S SSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33X33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 ee ee bridge-1
sheets BB BB sheets
4-turns >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary EE SSSSSEEHHHHHHHHHHHHhTt StTTtTTtSS S hHHHHHHHHHHh summary
sequence WSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY sequence
110 120 130 140 150