Secondary structure calculation program - copyright by David Keith Smith, 1989
1hzoA.pdb
1HZO HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 264
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 27 ASN N h > T 0 0 999.9 -165.6 -179.7 999.9 999.9 999.9 0 0.0 5 -1.9 0 0.0 0 0.0 4 16
2 A 28 THR T H H > T + 0 0 -71.7 -44.8 179.4 49.8 999.9 23.1 0 0.0 6 -2.7 0 0.0 0 0.0 5 20
3 A 29 ILE I H H > TS+ 0 0 -59.0 -41.5 179.2 54.2 110.0 23.7 0 0.0 7 -2.5 0 0.0 0 0.0 8 34
4 A 30 GLU E H H > TS+ 0 0 -56.3 -51.8 -179.6 42.7 111.4 20.6 0 0.0 8 -1.9 0 0.0 0 0.0 9 31
5 A 31 GLU E H H X TS+ 0 0 -65.9 -35.9 179.7 55.1 112.1 30.9 1 -1.9 9 -2.4 0 0.0 0 0.0 8 25
6 A 32 GLN Q H H X TS+ 0 0 -65.3 -39.6 179.6 46.4 109.3 27.0 2 -2.7 10 -2.3 0 0.0 0 0.0 9 32
7 A 33 LEU L H H X TS+ 0 0 -71.2 -34.9 178.4 51.2 111.5 30.2 3 -2.5 11 -2.3 0 0.0 0 0.0 11 45
8 A 34 ASN N H H X TS+ 0 0 -65.2 -42.0 179.8 47.8 112.3 21.9 4 -1.9 12 -2.1 0 0.0 0 0.0 9 35
9 A 35 THR T H H X TS+ 0 0 -64.5 -41.5 178.8 51.9 109.7 27.6 5 -2.4 13 -2.3 0 0.0 0 0.0 8 29
10 A 36 LEU L H H X TS+ 0 0 -62.2 -41.7 179.8 51.3 109.0 24.9 6 -2.3 14 -2.3 0 0.0 0 0.0 11 39
11 A 37 GLU E H H X >TS+ 0 0 -62.6 -43.0 179.3 50.5 108.4 24.1 7 -2.3 15 -1.4 0 0.0 16 -0.7 11 41
12 A 38 LYS K H H < 5TS+ 0 0 -59.6 -45.2 179.3 48.6 111.8 21.2 8 -2.1 0 0.0 0 0.0 0 0.0 8 27
13 A 39 TYR Y H H < 5TS+ 0 0 -61.0 -38.8 -178.1 53.2 109.3 28.6 9 -2.3 0 0.0 0 0.0 0 0.0 6 27
14 A 40 SER S H H < 5TS- 0 0 -69.7 -25.8 -178.8 -144.8 93.5 43.2 10 -2.3 0 0.0 0 0.0 0 0.0 8 37
15 A 41 GLN Q T h < 5TS+ 0 0 67.4 13.0 179.2 79.5 71.5 54.7 11 -1.4 0 0.0 0 0.0 0 0.0 7 31
16 A 42 GLY G S t AAB >T - 230 29 -105.1 108.7 -177.8 -166.2 3.9 155.1 29 -2.8 29 -1.7 22 -0.5 28 -0.7 12 45
25 A 51 THR T T e 4 5TS+ 0 0 -73.9 -6.1 179.1 76.9 78.3 55.4 229 -1.9 0 0.0 23 -0.7 0 0.0 9 35
26 A 52 GLU E T T 4 5TS+ 0 0 -67.3 -42.5 -179.5 4.3 123.0 22.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
27 A 53 ASP D T T 4 5TS- 0 0 -127.3 17.1 -179.8 -113.9 102.0 82.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
28 A 54 ASN N T T < 5T + 0 0 46.5 57.2 -179.9 144.7 67.7 21.1 24 -0.7 0 0.0 0 0.0 0 0.0 7 25
29 A 55 SER S E E AB TS+ 0 0 52.8 35.7 -178.0 162.6 90.2 29.8 0 0.0 37 -1.4 0 0.0 0 0.0 9 43
35 A 62 GLY G T T 3 T + 0 0 -59.1 -26.1 -179.1 42.4 65.9 44.4 0 0.0 157 -2.5 0 0.0 0 0.0 11 47
36 A 63 GLU E T T 3 TS+ 0 0 -103.6 2.4 180.0 108.8 89.9 66.8 0 0.0 0 0.0 0 0.0 0 0.0 8 38
37 A 64 GLU E S t < TS- 0 0 -80.7 148.3 179.3 -114.0 71.4 120.3 34 -1.4 0 0.0 0 0.0 0 0.0 9 39
38 A 65 ARG R + 0 0 -84.0 137.5 178.4 177.0 35.4 129.7 0 0.0 0 0.0 0 0.0 0 0.0 9 50
39 A 66 PHE F E E BC - 154 0 -135.0 147.7 177.3 -98.3 40.9 166.4 154 -2.4 154 -1.6 0 0.0 0 0.0 13 61
40 A 67 ALA A E E BC - 153 0 -65.3 130.9 -178.7 -151.3 32.1 120.9 0 0.0 0 0.0 0 0.0 0 0.0 14 66
41 A 68 MET M e > T - 0 0 -76.5 -29.8 -176.8 -180.0 20.8 37.5 152 -2.5 44 -2.0 0 0.0 0 0.0 13 78
42 A 69 ALA A G G > TS- 0 0 56.7 -144.8 -179.1 -13.6 73.3 108.3 0 0.0 45 -1.9 0 0.0 0 0.0 14 68
43 A 70 SER S G G > TS+ 0 0 -63.8 -10.6 178.9 80.9 122.9 53.5 0 0.0 46 -1.8 0 0.0 0 0.0 12 78
44 A 71 THR T G G X TS+ 0 0 -66.8 -16.0 179.2 73.9 79.3 41.6 41 -2.0 47 -1.2 0 0.0 0 0.0 12 90
45 A 72 SER S G h > < TS+ 0 0 -65.9 -19.9 -178.8 77.9 77.5 44.8 42 -1.9 49 -1.2 0 0.0 0 0.0 10 82
46 A 73 LYS K H H > < TS+ 0 0 -62.6 -28.5 -179.1 65.8 80.3 39.2 43 -1.8 50 -2.4 0 0.0 0 0.0 10 82
47 A 74 VAL V H H > < TS+ 0 0 -62.0 -44.3 -180.0 47.2 101.6 22.6 44 -1.2 51 -2.3 0 0.0 0 0.0 9 86
48 A 75 MET M H H > TS+ 0 0 -64.7 -37.9 179.9 52.3 111.3 28.5 0 0.0 52 -1.7 0 0.0 0 0.0 10 81
49 A 76 ALA A H H X TS+ 0 0 -64.4 -46.2 179.2 45.7 111.0 21.0 45 -1.2 53 -1.4 0 0.0 0 0.0 12 77
50 A 77 VAL V H H X TS+ 0 0 -64.1 -37.9 179.5 56.3 109.5 27.3 46 -2.4 54 -2.6 0 0.0 0 0.0 10 77
51 A 78 ALA A H H X TS+ 0 0 -61.8 -35.8 179.3 55.1 102.9 30.3 47 -2.3 55 -2.7 0 0.0 0 0.0 11 73
52 A 79 ALA A H H X TS+ 0 0 -64.7 -37.9 178.7 47.6 109.0 28.1 48 -1.7 56 -1.9 0 0.0 0 0.0 11 63
53 A 80 VAL V H H X TS+ 0 0 -67.2 -47.1 179.2 50.9 111.0 19.7 49 -1.4 57 -1.9 0 0.0 0 0.0 12 65
54 A 81 LEU L H H X TS+ 0 0 -56.3 -44.5 179.1 51.1 109.3 24.4 50 -2.6 58 -0.7 0 0.0 0 0.0 11 59
55 A 82 LYS K H H X > TS+ 0 0 -59.7 -43.4 -180.0 51.5 108.6 23.7 51 -2.7 58 -1.2 0 0.0 59 -0.5 11 50
56 A 83 ALA A H H X > TS+ 0 0 -63.4 -32.4 -179.6 60.3 102.4 33.5 52 -1.9 59 -0.9 0 0.0 60 -0.6 9 44
57 A 84 SER S H H < 3 TS+ 0 0 -69.7 -17.0 -179.9 74.2 89.3 46.3 53 -1.9 0 0.0 0 0.0 0 0.0 11 38
58 A 85 GLU E H H < < TS+ 0 0 -64.5 -35.4 -179.4 29.6 107.7 31.6 55 -1.2 0 0.0 54 -0.7 0 0.0 9 31
59 A 86 LYS K H H < < TS+ 0 0 -104.2 -1.7 -180.0 61.0 118.0 64.3 56 -0.9 0 0.0 55 -0.5 0 0.0 6 21
60 A 87 GLN Q S h < > TS- 0 0 -131.1 94.3 -179.4 -139.9 81.1 145.6 56 -0.6 63 -1.8 0 0.0 0 0.0 7 22
61 A 88 ALA A T T 3 TS+ 0 0 -52.2 138.7 178.9 12.1 84.3 99.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
62 A 89 GLY G T g > TS+ 0 0 71.7 5.8 -179.6 132.1 82.6 58.9 0 0.0 65 -1.2 0 0.0 0 0.0 7 23
63 A 90 LEU L G G X T + 0 0 -56.4 -41.1 -179.5 57.7 68.0 27.6 60 -1.8 66 -1.9 0 0.0 0 0.0 9 31
64 A 91 LEU L G G 3 TS+ 0 0 -62.2 -23.9 179.8 53.0 104.7 39.5 0 0.0 93 -2.4 0 0.0 0 0.0 10 43
65 A 92 ASP D G G < TS+ 0 0 -91.2 2.1 179.8 121.9 78.8 66.2 62 -1.2 0 0.0 0 0.0 0 0.0 8 30
66 A 93 LYS K e < T - 0 0 -68.1 122.2 -179.6 -131.4 63.1 121.3 63 -1.9 92 -1.3 0 0.0 0 0.0 8 31
67 A 94 ASN N E E CD - 91 0 -79.8 135.9 179.7 -160.5 19.3 126.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
68 A 95 ILE I E E CD - 90 0 -117.8 129.8 179.3 -124.9 17.5 164.3 90 -2.6 90 -2.4 0 0.0 0 0.0 8 41
69 A 96 A THR T - 0 0 -73.6 143.3 179.3 -148.8 17.4 118.2 0 0.0 71 -0.6 0 0.0 0 0.0 9 35
70 A 97 ILE I - 0 0 -117.0 113.0 -179.9 -161.1 11.9 162.9 0 0.0 0 0.0 0 0.0 0 0.0 12 40
71 A 98 LYS K g > > T - 0 0 -91.0 153.6 180.0 -120.0 28.7 127.4 69 -0.6 74 -1.8 0 0.0 75 -0.7 7 29
72 A 99 LYS K G G 4 > TS+ 0 0 -61.2 -30.4 180.0 60.4 115.6 34.4 0 0.0 75 -0.8 0 0.0 0 0.0 7 27
73 A 100 SER S G G 4 3 TS+ 0 0 -72.0 -12.8 178.8 63.8 95.7 51.4 0 0.0 0 0.0 0 0.0 0 0.0 4 24
74 A 101 ASP D G G 4 < TS+ 0 0 -78.8 -28.3 -176.9 108.4 78.3 40.5 71 -1.8 0 0.0 0 0.0 0 0.0 9 36
75 A 102 LEU L g < < T + 0 0 -61.3 121.7 178.5 173.6 44.1 108.7 72 -0.8 0 0.0 71 -0.7 0 0.0 10 39
76 A 103 VAL V - 0 0 -117.0 175.8 -179.6 -53.1 46.4 130.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
77 A 104 ALA A S S S+ 0 0 -54.6 136.0 -178.8 13.2 117.9 103.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
78 A 105 TYR Y + 0 0 56.8 82.4 179.3 148.2 69.0 5.1 0 0.0 105 -2.4 0 0.0 0 0.0 7 38
79 A 106 SER S t > T + 0 0 -137.7 60.6 -179.5 164.7 9.2 119.0 0 0.0 83 -2.1 0 0.0 0 0.0 13 42
80 A 107 PRO P T T 4 TS+ 0 0 -50.4 -36.1 -179.0 30.4 78.6 38.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
81 A 108 ILE I T g 4 > TS+ 0 0 -92.9 -51.2 -178.6 51.1 117.3 24.3 0 0.0 84 -1.7 0 0.0 0 0.0 9 44
82 A 109 THR T G G 4 > TS+ 0 0 -57.5 -36.2 -179.7 64.2 99.8 34.1 0 0.0 85 -2.1 0 0.0 0 0.0 16 45
83 A 110 GLU E G G < 3 TS+ 0 0 -63.7 -15.3 179.7 56.5 99.6 46.8 79 -2.1 0 0.0 0 0.0 0 0.0 9 35
84 A 111 LYS K G G < TS+ 0 0 -95.6 3.5 -178.8 58.1 101.4 68.5 81 -1.7 0 0.0 0 0.0 0 0.0 6 32
85 A 112 HIS H g > < T + 0 0 -126.3 36.8 179.4 120.3 57.6 93.2 82 -2.1 89 -2.1 0 0.0 0 0.0 10 35
86 A 113 LEU L T T 4 TS+ 0 0 -67.5 -31.1 -179.3 35.5 88.7 33.6 0 0.0 0 0.0 0 0.0 0 0.0 11 27
87 A 114 THR T T T 4 TS+ 0 0 -90.0 -40.2 -178.7 34.1 127.3 30.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
88 A 115 THR T T T 4 TS- 0 0 -86.5 -29.5 -177.6 -152.8 93.0 39.0 0 0.0 0 0.0 0 0.0 0 0.0 6 21
89 A 116 GLY G t < T - 0 0 78.7 -178.9 179.5 -98.3 17.7 102.5 85 -2.1 0 0.0 0 0.0 0 0.0 11 37
90 A 117 MET M E E CD - 68 0 -143.3 145.6 179.3 -121.2 20.9 176.8 68 -2.4 68 -2.6 0 0.0 0 0.0 13 43
91 A 118 THR T E E >CD T - 67 0 -78.6 162.2 179.4 -107.7 35.4 112.4 0 0.0 95 -2.6 0 0.0 0 0.0 11 42
92 A 119 LEU L H H > TS+ 0 0 -59.5 -29.9 178.9 53.9 123.4 34.3 66 -1.3 96 -2.1 0 0.0 0 0.0 14 56
93 A 120 ALA A H H > TS+ 0 0 -69.8 -42.8 179.9 45.2 110.1 23.5 64 -2.4 97 -2.4 0 0.0 0 0.0 9 57
94 A 121 GLU E H H > TS+ 0 0 -68.9 -34.4 179.1 51.0 113.1 32.2 0 0.0 98 -2.3 0 0.0 0 0.0 8 55
95 A 122 LEU L H H X TS+ 0 0 -68.5 -41.2 179.9 47.9 111.3 25.8 91 -2.6 99 -2.5 0 0.0 0 0.0 14 62
96 A 123 SER S H H X TS+ 0 0 -65.4 -45.2 179.5 48.0 112.7 22.5 92 -2.1 100 -2.1 0 0.0 0 0.0 12 67
97 A 124 ALA A H H X TS+ 0 0 -61.9 -43.5 -179.7 48.1 113.9 23.5 93 -2.4 101 -2.9 0 0.0 0 0.0 10 61
98 A 125 ALA A H H X TS+ 0 0 -65.6 -42.3 -178.6 47.4 112.0 25.4 94 -2.3 102 -1.7 0 0.0 104 -1.7 13 56
99 A 126 THR T H H < TS+ 0 0 -69.9 -33.5 -179.9 39.1 120.1 28.9 95 -2.5 0 0.0 0 0.0 0 0.0 14 66
100 A 127 LEU L H H < TS+ 0 0 -81.9 -46.0 -177.4 36.3 123.0 22.3 96 -2.1 0 0.0 0 0.0 0 0.0 14 65
101 A 128 GLN Q H H < TS+ 0 0 -82.5 -23.0 179.2 18.7 137.0 43.1 97 -2.9 188 -2.1 0 0.0 0 0.0 14 50
102 A 129 TYR Y S h < TS- 0 0 -120.7 -10.4 -178.6 -123.9 96.9 62.4 98 -1.7 0 0.0 0 0.0 0 0.0 12 47
103 A 130 SER S - 0 0 65.2 35.8 179.2 -172.5 39.1 31.7 0 0.0 0 0.0 0 0.0 0 0.0 11 61
104 A 131 ASP D h > T - 0 0 -62.4 118.3 -177.9 -157.9 11.8 117.6 98 -1.7 108 -1.2 0 0.0 0 0.0 15 56
105 A 132 ASN N H H > TS+ 0 0 -73.0 -36.1 178.6 53.1 87.2 31.9 78 -2.4 109 -2.1 0 0.0 0 0.0 13 60
106 A 133 THR T H H > TS+ 0 0 -66.4 -34.3 179.7 58.1 105.3 27.2 0 0.0 110 -2.5 0 0.0 0 0.0 15 57
107 A 134 ALA A H H > TS+ 0 0 -60.0 -41.9 179.0 49.0 105.7 24.9 0 0.0 111 -2.0 0 0.0 0 0.0 13 62
108 A 135 MET M H H X TS+ 0 0 -62.1 -48.5 -179.9 49.7 111.0 18.5 104 -1.2 112 -2.7 0 0.0 0 0.0 15 71
109 A 136 ASN N H H X TS+ 0 0 -59.7 -37.3 179.5 50.9 109.5 30.7 105 -2.1 113 -2.5 0 0.0 0 0.0 11 66
110 A 137 LYS K H H X TS+ 0 0 -67.7 -38.5 178.9 49.6 110.7 26.3 106 -2.5 114 -2.4 0 0.0 0 0.0 11 58
111 A 138 ILE I H H X TS+ 0 0 -65.1 -42.3 179.1 49.6 110.8 23.9 107 -2.0 115 -2.4 0 0.0 0 0.0 14 64
112 A 139 LEU L H H X >TS+ 0 0 -62.5 -42.6 179.4 52.5 109.4 23.3 108 -2.7 117 -2.8 0 0.0 116 -1.8 14 58
113 A 140 ASP D H H < 5TS+ 0 0 -57.9 -47.4 -180.0 48.0 110.3 21.1 109 -2.5 0 0.0 0 0.0 0 0.0 8 44
114 A 141 TYR Y H H < 5TS+ 0 0 -59.7 -46.5 -178.9 49.0 111.7 23.7 110 -2.4 0 0.0 0 0.0 0 0.0 7 45
115 A 142 LEU L H H < 5TS- 0 0 -66.7 -27.4 -179.6 -101.5 122.4 40.4 111 -2.4 0 0.0 0 0.0 0 0.0 10 44
116 A 143 GLY G T h < 5TS- 0 0 115.4 11.6 179.0 -52.7 72.5 57.7 112 -1.8 0 0.0 0 0.0 0 0.0 8 26
117 A 144 GLY G S h > > > TS+ 0 0 -52.5 -41.0 -179.5 63.2 125.6 31.1 0 0.0 122 -1.7 0 0.0 121 -1.2 11 49
119 A 146 ALA A H H > 3 TS+ 0 0 -56.8 -31.4 179.8 59.4 96.2 35.3 0 0.0 123 -2.0 0 0.0 0 0.0 10 39
120 A 147 LYS K H H > < TS+ 0 0 -68.7 -29.4 179.0 51.5 102.9 36.2 117 -1.4 124 -1.7 0 0.0 0 0.0 10 41
121 A 148 VAL V H H X < TS+ 0 0 -73.5 -39.1 178.7 51.5 107.9 26.4 118 -1.2 125 -2.4 117 -0.7 0 0.0 15 55
122 A 149 THR T H H X TS+ 0 0 -61.6 -39.7 179.7 53.1 108.6 24.3 118 -1.7 126 -2.1 0 0.0 0 0.0 11 48
123 A 150 GLN Q H H X TS+ 0 0 -62.9 -40.6 179.0 50.4 107.2 26.2 119 -2.0 127 -1.6 0 0.0 0 0.0 8 36
124 A 151 PHE F H H X TS+ 0 0 -63.6 -42.3 179.8 54.1 107.5 23.0 120 -1.7 128 -0.8 0 0.0 0 0.0 10 47
125 A 152 ALA A H H < >>TS+ 0 0 -57.3 -44.1 179.4 49.7 107.8 22.4 121 -2.4 130 -2.5 0 0.0 128 -1.2 13 52
126 A 153 ARG R H H < >5TS+ 0 0 -64.1 -31.0 -179.2 62.8 102.6 32.3 122 -2.1 129 -1.7 0 0.0 0 0.0 10 32
127 A 154 SER S H H < 35TS+ 0 0 -68.6 -17.6 178.3 45.4 105.4 46.7 123 -1.6 0 0.0 0 0.0 0 0.0 7 34
128 A 155 ILE I T h < <5TS- 0 0 -111.6 25.2 178.8 -100.7 126.6 89.1 125 -1.2 0 0.0 124 -0.8 0 0.0 9 41
129 A 156 ASN N T T <5TS+ 0 0 61.6 33.7 176.7 140.4 76.7 38.8 126 -1.7 131 -0.8 0 0.0 0 0.0 6 32
130 A 157 ASP D t T - 0 0 -102.2 -172.5 178.6 -28.2 58.0 109.7 0 0.0 142 -2.2 0 0.0 0 0.0 10 53
139 A 166 GLU E T T 4 TS+ 0 0 -82.0 142.3 0.3 9.1 121.0 130.2 0 0.0 0 0.0 0 0.0 0 0.0 11 50
140 A 167 PRO P T g 4 > TS+ 0 0 -93.2 -5.5 -177.7 59.2 122.5 176.4 0 0.0 143 -2.0 0 0.0 0 0.0 8 42
141 A 168 GLU E G G 4 > TS+ 0 0 -53.0 -34.9 -178.4 70.8 91.1 38.6 0 0.0 144 -1.7 0 0.0 0 0.0 7 40
142 A 169 LEU L G G < 3 TS+ 0 0 -63.2 -7.0 -179.0 68.6 88.0 53.5 138 -2.2 0 0.0 0 0.0 0 0.0 13 50
143 A 170 ASN N G G < T + 0 0 -93.4 3.5 -178.0 103.4 62.6 66.5 140 -2.0 212 -2.6 0 0.0 0 0.0 14 57
144 A 171 THR T g < T - 0 0 -56.4 -33.5 176.9 -170.4 55.6 36.1 141 -1.7 0 0.0 0 0.0 0 0.0 9 43
145 A 172 ALA A - 0 0 45.8 40.5 -179.9 -178.0 11.0 38.6 0 0.0 0 0.0 0 0.0 0 0.0 14 53
146 A 173 ILE I t > T - 0 0 -71.1 134.5 -179.6 -107.1 33.0 117.8 0 0.0 149 -1.8 0 0.0 0 0.0 7 38
147 A 174 HIS H T T 3 TS+ 0 0 -64.5 127.5 179.6 15.8 105.6 115.7 0 0.0 0 0.0 0 0.0 0 0.0 4 35
148 A 175 GLY G T T 3 TS+ 0 0 84.5 11.0 178.7 120.2 96.9 51.9 0 0.0 0 0.0 0 0.0 0 0.0 4 25
149 A 176 ASP D t < T - 0 0 -109.0 119.4 -179.1 -161.5 49.4 163.8 146 -1.8 0 0.0 0 0.0 0 0.0 6 33
150 A 177 PRO P t > T + 0 0 -79.1 -11.2 -176.9 121.7 47.8 54.3 0 0.0 153 -0.8 0 0.0 0 0.0 7 31
151 A 178 ARG R T T 3 TS- 0 0 -62.9 134.3 177.2 -1.6 80.4 105.5 0 0.0 0 0.0 0 0.0 0 0.0 11 38
152 A 179 ASP D T e 3 TS+ 0 0 57.2 45.8 -179.6 129.7 101.9 27.9 0 0.0 41 -2.5 0 0.0 0 0.0 15 59
153 A 180 THR T E E BC < T + 40 0 -124.5 167.2 175.4 166.0 28.3 140.8 150 -0.8 134 -1.4 0 0.0 0 0.0 13 67
154 A 181 THR T E E BC - 39 0 -164.2 175.9 -179.7 -99.4 34.9 158.3 39 -1.6 39 -2.4 0 0.0 0 0.0 14 66
155 A 182 SER S h > T - 0 0 -108.1 158.0 179.5 -116.7 26.7 137.2 0 0.0 159 -2.5 0 0.0 0 0.0 14 60
156 A 183 PRO P H H > TS+ 0 0 -57.0 -45.7 -178.8 44.8 115.7 22.4 0 0.0 160 -2.2 0 0.0 0 0.0 19 64
157 A 184 ILE I H H > TS+ 0 0 -69.0 -38.0 179.5 51.6 111.9 26.8 35 -2.5 161 -2.6 0 0.0 0 0.0 13 52
158 A 185 ALA A H H > TS+ 0 0 -64.0 -44.9 -179.6 43.1 114.4 20.3 0 0.0 162 -2.2 0 0.0 0 0.0 13 56
159 A 186 MET M H H X TS+ 0 0 -69.3 -35.0 179.1 53.8 112.5 29.9 155 -2.5 163 -2.8 0 0.0 0 0.0 12 73
160 A 187 ALA A H H X TS+ 0 0 -63.2 -47.0 179.9 45.8 110.9 19.0 156 -2.2 164 -2.3 0 0.0 0 0.0 15 68
161 A 188 LYS K H H X TS+ 0 0 -63.3 -40.5 179.7 47.4 114.9 26.9 157 -2.6 165 -2.4 0 0.0 0 0.0 10 54
162 A 189 SER S H H X TS+ 0 0 -68.6 -42.0 179.9 50.4 110.9 24.2 158 -2.2 166 -2.5 0 0.0 0 0.0 11 64
163 A 190 LEU L H H X TS+ 0 0 -62.7 -40.3 178.8 48.8 112.0 24.7 159 -2.8 167 -1.3 0 0.0 0 0.0 11 75
164 A 191 GLN Q H H X >TS+ 0 0 -62.6 -47.5 -179.3 48.5 111.9 19.7 160 -2.3 169 -2.4 0 0.0 168 -1.9 11 55
165 A 192 ALA A H H < 5TS+ 0 0 -61.0 -36.9 -178.5 48.6 112.9 30.6 161 -2.4 171 -1.8 0 0.0 172 -0.6 12 52
166 A 193 LEU L H H < 5TS+ 0 0 -79.0 -20.1 -178.8 23.8 125.7 48.0 162 -2.5 0 0.0 0 0.0 0 0.0 13 61
167 A 194 THR T H H < 5TS+ 0 0 -111.2 -51.8 -178.8 15.4 139.6 37.3 163 -1.3 0 0.0 0 0.0 0 0.0 13 51
168 A 195 LEU L T h < 5TS+ 0 0 -98.4 -23.1 -178.8 64.4 119.2 46.9 164 -1.9 0 0.0 0 0.0 0 0.0 7 43
169 A 196 GLY G S t T - 0 0 -66.7 163.9 -178.7 -101.0 44.9 103.9 0 0.0 177 -3.1 0 0.0 0 0.0 9 31
174 A 201 GLN Q H H > TS+ 0 0 -54.8 -48.9 -179.5 46.8 121.9 25.3 0 0.0 178 -2.1 0 0.0 0 0.0 7 25
175 A 202 A SER S H H > TS+ 0 0 -61.3 -39.8 -179.3 46.5 116.6 25.2 0 0.0 179 -1.7 0 0.0 0 0.0 6 32
176 A 203 GLN Q H H > TS+ 0 0 -70.2 -45.1 -179.8 48.9 110.5 24.5 0 0.0 180 -2.3 0 0.0 0 0.0 11 44
177 A 204 ARG R H H X TS+ 0 0 -64.2 -36.3 179.5 49.7 113.0 26.3 173 -3.1 181 -2.3 0 0.0 0 0.0 12 42
178 A 205 GLN Q H H X TS+ 0 0 -68.7 -37.1 179.1 52.1 108.7 28.2 174 -2.1 182 -2.5 0 0.0 0 0.0 9 37
179 A 206 GLN Q H H X TS+ 0 0 -65.1 -39.5 179.3 49.7 109.7 26.1 175 -1.7 183 -2.3 0 0.0 0 0.0 8 50
180 A 207 LEU L H H X TS+ 0 0 -64.3 -44.9 179.1 49.5 110.8 21.6 176 -2.3 184 -2.6 0 0.0 0 0.0 11 58
181 A 208 VAL V H H X TS+ 0 0 -59.7 -43.1 -179.5 50.9 110.5 23.7 177 -2.3 185 -2.5 0 0.0 0 0.0 10 49
182 A 209 THR T H H X TS+ 0 0 -63.4 -41.5 178.9 48.3 110.5 25.0 178 -2.5 186 -0.8 0 0.0 0 0.0 9 40
183 A 210 TRP W H H < > TS+ 0 0 -64.0 -46.3 179.9 49.0 112.5 19.9 179 -2.3 186 -0.8 0 0.0 0 0.0 12 51
184 A 211 LEU L H H < > TS+ 0 0 -59.9 -43.9 -179.7 56.3 105.6 25.4 180 -2.6 187 -1.9 0 0.0 206 -1.0 14 60
185 A 212 LYS K H H < 3 TS+ 0 0 -61.9 -20.2 -179.4 54.3 106.1 42.7 181 -2.5 0 0.0 0 0.0 0 0.0 10 46
186 A 213 GLY G T h < < TS+ 0 0 -99.0 14.1 179.9 139.2 76.2 76.0 183 -0.8 0 0.0 182 -0.8 0 0.0 8 37
187 A 214 ASN N t < T - 0 0 -59.8 139.7 -179.0 -164.6 35.9 107.6 184 -1.9 0 0.0 0 0.0 0 0.0 13 46
188 A 215 THR T S S S+ 0 0 -102.4 -9.1 -176.2 61.5 76.8 57.1 101 -2.1 0 0.0 0 0.0 0 0.0 7 37
189 A 216 THR T S S S+ 0 0 -100.4 0.0 -177.2 72.8 84.1 64.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46
190 A 217 GLY G t >>T + 0 0 -102.5 15.3 -178.4 110.5 54.3 73.4 0 0.0 193 -1.4 0 0.0 195 -0.7 12 52
191 A 218 ASP D T T 35TS+ 0 0 -56.6 -33.0 -177.6 36.8 88.5 37.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
192 A 219 ASN N T T 35TS+ 0 0 -106.0 10.9 -179.5 60.2 112.8 73.9 0 0.0 0 0.0 0 0.0 0 0.0 10 37
193 A 220 SER S T g > X5TS- 0 0 -106.1 -123.0 -179.6 -15.5 118.5 69.1 190 -1.4 196 -0.9 0 0.0 197 -0.5 13 52
194 A 221 ILE I G G 4 >5TS+ 0 0 -50.5 -46.9 -179.6 57.8 133.7 24.5 0 0.0 197 -2.1 0 0.0 0 0.0 16 63
195 A 222 LYS K G G 4 > T - 0 0 -55.7 139.6 -177.7 -120.4 43.8 106.3 0 0.0 202 -1.8 0 0.0 0 0.0 7 34
200 A 227 LYS K T T 3 TS+ 0 0 -57.8 -22.3 -178.6 56.3 108.1 45.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
201 A 228 HIS H T T 3 TS+ 0 0 -92.6 -0.8 179.1 104.3 81.9 62.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
202 A 229 TRP W S t < TS- 0 0 -80.5 144.4 179.2 -126.4 71.0 124.8 199 -1.8 0 0.0 0 0.0 0 0.0 10 37
203 A 230 VAL V E E AE - 223 0 -92.0 133.1 -178.4 -172.8 31.4 140.3 223 -1.9 223 -3.0 0 0.0 0 0.0 8 41
204 A 231 VAL V E E AE - 222 0 -132.2 142.9 177.4 -168.5 22.4 167.4 0 0.0 0 0.0 0 0.0 0 0.0 11 55
205 A 232 GLY G E E AE + 221 0 -126.5 107.0 -177.4 163.9 32.2 161.9 221 -2.4 221 -2.2 0 0.0 0 0.0 14 60
206 A 233 ASP D E E AE - 220 0 -128.1 166.6 175.9 -155.3 34.3 143.9 184 -1.0 0 0.0 0 0.0 0 0.0 13 71
207 A 234 LYS K E E AE - 219 0 -138.9 118.6 -179.4 -152.3 23.0 163.9 219 -2.3 219 -1.8 0 0.0 0 0.0 16 71
208 A 235 THR T E E AE - 218 0 -86.9 169.4 178.5 -155.3 3.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 14 69
209 A 236 GLY G E E AE + 217 0 -147.4 138.5 179.7 179.6 10.4 171.6 217 -2.1 217 -3.0 0 0.0 0 0.0 12 73
210 A 237 SER S E E AE + 216 0 -142.0 127.2 -179.8 145.2 18.4 169.3 0 0.0 0 0.0 0 0.0 0 0.0 12 60
211 A 238 GLY G E E >AE T - 215 0 -146.2 -169.0 179.1 -52.0 48.0 140.1 215 -2.0 215 -0.7 0 0.0 0 0.0 13 52
212 A 240 ASP D T T 4 > TS+ 0 0 -64.5 169.7 -179.0 42.2 111.7 97.9 143 -2.6 215 -1.3 0 0.0 0 0.0 12 42
213 A 241 TYR Y T T 4 3 TS- 0 0 58.7 32.8 179.3 -72.8 133.8 33.8 241 -2.5 238 -2.7 0 0.0 0 0.0 15 40
214 A 242 GLY G T T 4 3 TS- 0 0 53.1 32.7 -179.9 -177.8 75.4 36.2 243 -0.6 0 0.0 241 -0.6 0 0.0 15 43
215 A 243 THR T E E T - 0 0 -71.8 161.1 179.4 -74.7 38.7 105.5 0 0.0 227 -1.2 0 0.0 0 0.0 12 39
225 A 254 GLU E T T 3 TS- 0 0 -58.9 122.2 179.8 -19.7 110.4 112.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
226 A 255 ASN N T T 3 TS+ 0 0 39.6 57.9 179.6 107.4 116.1 28.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
227 A 256 HIS H S t < TS- 0 0 -156.9 150.0 179.5 -91.6 77.4 168.1 224 -1.2 0 0.0 0 0.0 0 0.0 7 30
228 A 257 ALA A - 0 0 -61.7 153.4 -179.9 -85.1 59.4 104.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
229 A 258 PRO P e - 0 0 -59.7 155.2 178.0 -150.3 39.9 97.5 0 0.0 25 -1.9 0 0.0 0 0.0 11 45
230 A 259 LEU L E E AAF - 24 222 -124.6 155.2 176.9 -146.8 3.8 152.9 222 -2.7 222 -3.2 0 0.0 0 0.0 12 62
231 A 260 A ILE I E E AAF - 23 221 -123.4 126.8 -178.8 -174.7 21.4 175.0 23 -2.3 23 -2.8 0 0.0 0 0.0 15 66
232 A 261 LEU L E E AAF - 22 220 -131.7 132.7 178.1 -177.6 12.6 169.8 220 -2.9 220 -2.6 0 0.0 0 0.0 14 77
233 A 262 VAL V E E AAF - 21 219 -125.5 129.7 177.8 -180.0 3.7 172.5 21 -2.2 21 -2.0 0 0.0 0 0.0 16 82
234 A 263 VAL V E E AAF - 20 218 -133.7 116.6 178.9 -180.0 2.8 165.5 218 -2.6 218 -1.8 0 0.0 0 0.0 15 84
235 A 264 TYR Y E E AA + 19 0 -114.9 143.3 -179.7 176.1 2.7 155.3 19 -2.7 19 -3.0 0 0.0 0 0.0 15 76
236 A 265 PHE F E E AA + 18 0 -149.7 133.3 179.5 172.2 2.2 168.0 0 0.0 216 -2.6 0 0.0 0 0.0 14 72
237 A 266 THR T E E AA - 17 0 -140.5 158.1 -176.2 -142.1 15.5 164.2 17 -1.9 17 -2.6 0 0.0 0 0.0 12 63
238 A 267 GLN Q - 0 0 -123.7 171.3 -177.6 -112.1 22.0 134.8 213 -2.7 0 0.0 0 0.0 0 0.0 12 47
239 A 268 GLN Q S S S+ 0 0 -67.2 -45.8 -178.3 63.2 91.7 28.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
240 A 269 GLU E S t > TS- 0 0 -93.4 137.3 -178.9 -133.7 75.6 134.4 0 0.0 243 -2.2 0 0.0 0 0.0 7 25
241 A 270 GLN Q T T 3 TS+ 0 0 -50.8 -38.4 -178.6 45.1 107.9 33.9 0 0.0 213 -2.5 0 0.0 214 -0.6 8 28
242 A 271 ASN N T T 3 TS+ 0 0 -95.1 16.8 -179.8 144.6 81.7 80.2 0 0.0 0 0.0 0 0.0 0 0.0 7 22
243 A 272 ALA A t < T - 0 0 -55.3 146.9 179.1 -117.3 50.8 100.4 240 -2.2 214 -0.6 0 0.0 0 0.0 10 29
244 A 273 LYS K - 0 0 -85.1 155.9 -179.0 -92.2 36.5 121.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
245 A 274 TYR Y - 0 0 -68.3 151.1 -179.4 -156.3 29.1 108.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
246 A 275 ARG R h > > T + 0 0 -129.8 72.4 179.2 157.7 27.6 127.7 0 0.0 249 -1.2 0 0.0 250 -0.8 8 48
247 A 276 LYS K H H > 3 TS+ 0 0 -65.2 -24.7 179.4 71.1 72.6 39.1 0 0.0 251 -2.5 0 0.0 0 0.0 10 51
248 A 277 ASP D H H > 3 TS+ 0 0 -60.7 -30.4 179.4 54.6 94.3 35.1 0 0.0 252 -2.0 0 0.0 0 0.0 8 44
249 A 278 ILE I H H > < TS+ 0 0 -70.6 -37.8 179.6 48.5 108.0 28.3 246 -1.2 253 -2.0 0 0.0 0 0.0 10 54
250 A 279 ILE I H H X TS+ 0 0 -67.4 -44.8 -179.9 51.4 110.3 21.9 246 -0.8 254 -2.1 0 0.0 0 0.0 17 64
251 A 280 ALA A H H X TS+ 0 0 -58.6 -47.0 -179.3 46.1 111.8 22.0 247 -2.5 255 -2.0 0 0.0 0 0.0 15 53
252 A 281 LYS K H H X TS+ 0 0 -65.6 -39.0 179.2 54.4 109.4 26.9 248 -2.0 256 -2.8 0 0.0 0 0.0 10 50
253 A 282 ALA A H H X TS+ 0 0 -60.8 -40.4 -180.0 49.1 109.0 24.8 249 -2.0 257 -2.1 0 0.0 0 0.0 14 62
254 A 283 ALA A H H X TS+ 0 0 -64.8 -41.6 179.7 49.3 111.4 25.6 250 -2.1 258 -1.1 0 0.0 0 0.0 14 70
255 A 284 GLU E H H X TS+ 0 0 -63.1 -46.3 -179.5 51.3 110.2 21.7 251 -2.0 259 -1.4 0 0.0 0 0.0 10 51
256 A 285 ILE I H H < TS+ 0 0 -58.3 -48.2 -177.8 42.5 113.3 22.7 252 -2.8 0 0.0 0 0.0 0 0.0 10 49
257 A 286 VAL V H H < TS+ 0 0 -78.8 -12.3 179.3 39.7 121.4 51.2 253 -2.1 0 0.0 0 0.0 0 0.0 10 62
258 A 287 THR T H H X TS+ 0 0 -112.3 -4.5 -179.2 97.3 86.4 62.8 254 -1.1 262 -2.3 0 0.0 0 0.0 9 57
259 A 288 LYS K H H X TS+ 0 0 -49.4 -54.4 -179.6 46.7 85.7 23.3 255 -1.4 263 -0.9 0 0.0 0 0.0 8 38
260 A 289 GLU E H H 4 > TS+ 0 0 -58.2 -39.6 -179.9 52.8 111.4 29.1 0 0.0 263 -0.6 0 0.0 0 0.0 7 33
261 A 290 ILE I H H 4 > TS+ 0 0 -64.4 -41.8 -179.2 50.0 107.7 26.0 0 0.0 264 -1.1 0 0.0 0 0.0 6 39
262 A 291 SER S H H < 3 TS+ 0 0 -73.8 -12.2 -179.8 58.5 105.6 51.9 258 -2.3 0 0.0 0 0.0 0 0.0 8 30
263 A 292 ASN N T h < < T 0 0 -95.7 -1.9 -179.9 999.9 999.9 62.6 259 -0.9 0 0.0 260 -0.6 0 0.0 5 18
264 A 293 SER S t < T 0 0 -142.4 999.9 999.9 999.9 999.9 165.2 261 -1.1 0 0.0 0 0.0 0 0.0 4 16
1hzoA.pdb
1HZO HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHTSEEEEEEEETTTTEEEEESTTS EE GGGGHHHHHHHHHHHHHHSTTGGG EE GGG S TTGGG TTT EEHHHHHHHHH Kabs/Sand
chirality ++++++++++++-+---++----++-+--+--+++-+----+++++++++++++++++-+++++------++++-+++++++++++----+++++++++ chirality
bends SSSSSSSSSSSSSS SSS SS SS SSSSSSSSSSSSSSSSSSSSS SS SSS S SSSSS SSS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>>X<<< >>3<<>3>X3<< >>3<< >>3<< 3-turns
bridge-2 BBBBB bridge-2
bridge-1 AAAAAAAA BBBBB CC DD DD bridge-1
sheets AAAAAAAA AAAAA BB CC CC sheets
4-turns >>>>XXXXXXX<<<< >444< >>>>XXXXXXXX<<<< >444< >444< >444< >>>>XXXX<< 4-turns
summary hHHHHHHHHHHHHHhtEEEEEEEEeTTTEEEEEtTTt EEeGGGhHHHHHHHHHHHHHHhTgGGGeEE gGGGg S tTgGGGgTTTtEEHHHHHHHHH summary
sequence NTIEEQLNTLEKYSQGRLGVALINTEDNSQITYRGEERFAMASTSKVMAVAAVLKASEKQAGLLDKNITIKKSDLVAYSPITEKHLTTGMTLAELSAATL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HS HHHHHHHHHHHTSHHHHHHHHHHTT SS TTGGG TT TTEE HHHHHHHHHHHHTSSSS HHHHHHHHHHHHT SS TTTGGGGS T Kabs/Sand
chirality +---++++++++++---++++++++++-+++++-++--+++++---++-+-++--+++++++++++++-++--+++++++++++++-+++++-++++--+ chirality
bends SS SSSSSSSSSSSSSSSSSSSSSSSSS SS SSSS SS SS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SS SSSSSSSS S bends
turns TT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >>3<< >>3<< >>3<< >33<>33< >>3<< >33X>><<<>3 3-turns
bridge-2 bridge-2
bridge-1 CC bridge-1
sheets BB sheets
4-turns << >>>>XXXXX<<<<>>>>XXXX<<<< >444< >>>>XXXXXX<<<< >>>>XXXXXX<<<< >444< 4-turns
summary Hh hHHHHHHHHHHHhhHHHHHHHHHHhTtSS tTgGGGg tTTttTeEEhHHHHHHHHHHHHhtSSShHHHHHHHHHHHHhtSStTTgGGGGgtT summary
sequence QYSDNTAMNKILDYLGGPAKVTQFARSINDVTYRLDRKEPELNTAIHGDPRDTTSPIAMAKSLQALTLGDALGQSQRQQLVTWLKGNTTGDNSIKAGLPK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TSEEEEEEEEETTTEEEEEEEEE TTS EEEEEEEE SSTT HHHHHHHHHHHHHHHHT Kabs/Sand
chirality +---+---++-+---++-+------+--------++--+-++---+++++++++++++++++ chirality
bends SS SSS SSS SSSS SSSSSSSSSSSSSSSS bends
turns TT TTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 FFFFF FFFFF bridge-2
bridge-1 EEEEEEEEE EEEEEEEEE AAAAAAAA bridge-1
sheets AAAAAAAAA AAAAAAAAA AAAAAAAA sheets
4-turns >444< >>>>XXXXXX<