Secondary structure calculation program - copyright by David Keith Smith, 1989
1h70A.pdb
1H70 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 255
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 0 PHE F 0 0 999.9 162.9 178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 26
2 A 1 MET M - 0 0 -154.2 143.1 176.3 -118.3 999.9 166.0 0 0.0 0 0.0 0 0.0 0 0.0 5 32
3 A 2 PHE F - 0 0 -77.9 149.4 178.1 -172.5 19.1 122.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
4 A 3 LYS K e + 0 0 -112.4 -25.7 -176.5 34.5 63.8 50.2 255 -2.5 49 -2.5 0 0.0 0 0.0 9 31
5 A 4 HIS H E E AaB - 49 255 -138.1 156.7 174.9 -167.7 49.5 163.4 255 -3.0 255 -2.5 0 0.0 0 0.0 10 42
6 A 5 ILE I E E AaB - 50 254 -134.2 141.4 171.8 -159.2 9.5 167.6 49 -1.9 51 -2.4 0 0.0 0 0.0 13 54
7 A 6 ILE I E E AaB + 51 253 -118.7 139.8 178.9 160.6 21.9 168.6 253 -2.0 253 -1.8 0 0.0 0 0.0 12 62
8 A 7 ALA A E E Aa - 52 0 -146.6 170.6 178.3 -139.2 25.7 156.3 51 -2.4 53 -3.1 0 0.0 0 0.0 14 59
9 A 8 ARG R E E Aa - 53 0 -143.2 131.4 178.2 -112.2 24.2 170.0 0 0.0 0 0.0 0 0.0 0 0.0 14 60
10 A 9 THR T e - 0 0 -54.8 138.5 178.6 -106.3 43.6 106.5 53 -2.5 0 0.0 0 0.0 0 0.0 11 52
11 A 10 PRO P - 0 0 -69.5 146.6 179.9 -129.9 32.6 111.9 0 0.0 0 0.0 0 0.0 0 0.0 14 56
12 A 11 ALA A g > T - 0 0 -90.1 164.9 176.4 -112.6 21.1 120.7 0 0.0 15 -1.7 0 0.0 0 0.0 13 44
13 A 12 ARG R G G > TS+ 0 0 -64.4 -31.8 179.4 66.4 117.9 30.5 0 0.0 16 -1.4 0 0.0 0 0.0 8 35
14 A 13 SER S G G > TS+ 0 0 -67.3 -2.8 175.5 97.0 71.1 59.5 0 0.0 17 -2.2 0 0.0 0 0.0 10 36
15 A 14 LEU L G G X TS+ 0 0 -52.1 -35.2 -179.9 69.9 70.1 35.1 12 -1.7 18 -2.3 0 0.0 0 0.0 11 50
16 A 15 VAL V G G < TS+ 0 0 -56.3 -26.4 179.4 48.0 99.9 39.8 13 -1.4 0 0.0 0 0.0 0 0.0 10 41
17 A 16 ASP D G G < TS+ 0 0 -102.1 24.0 178.5 140.7 84.5 91.0 14 -2.2 0 0.0 0 0.0 0 0.0 8 38
18 A 17 GLY G g < T - 0 0 -65.1 153.7 179.3 -88.8 62.9 108.1 15 -2.3 0 0.0 0 0.0 0 0.0 9 49
19 A 18 LEU L + 0 0 -61.8 143.7 175.5 168.3 57.1 106.9 0 0.0 0 0.0 0 0.0 0 0.0 7 46
20 A 19 THR T - 0 0 -161.0 148.9 175.1 -170.8 42.6 167.2 0 0.0 0 0.0 0 0.0 0 0.0 7 38
21 A 20 SER S S S S+ 0 0 -113.3 7.1 -179.6 93.2 71.9 77.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
22 A 21 SER S - 0 0 -97.9 172.1 179.9 -145.6 65.1 115.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
23 A 22 HIS H + 0 0 -133.5 53.1 -178.1 116.8 61.3 113.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
24 A 23 LEU L S S S- 0 0 -106.4 13.2 -178.2 -94.7 82.9 77.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
25 A 24 GLY G - 0 0 95.5 173.6 178.8 -61.9 52.0 106.0 0 0.0 0 0.0 0 0.0 0 0.0 5 25
26 A 25 LYS K - 0 0 -96.9 145.7 179.4 -96.2 59.2 139.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
27 A 26 PRO P - 0 0 -57.7 142.9 175.6 -133.4 27.3 103.3 0 0.0 29 -0.7 0 0.0 0 0.0 13 39
28 A 27 ASP D h > T - 0 0 -97.0 111.9 -177.6 -149.1 15.5 155.4 0 0.0 32 -2.6 0 0.0 0 0.0 8 30
29 A 28 TYR Y H H > TS+ 0 0 -52.8 -49.1 -178.8 49.5 92.4 22.4 27 -0.7 33 -2.3 0 0.0 0 0.0 10 35
30 A 29 ALA A H H > TS+ 0 0 -59.0 -44.6 178.9 45.5 114.3 22.2 0 0.0 34 -1.8 0 0.0 0 0.0 6 26
31 A 30 LYS K H H > TS+ 0 0 -66.1 -36.8 179.6 53.9 110.6 26.6 0 0.0 35 -2.2 0 0.0 0 0.0 9 30
32 A 31 ALA A H H X TS+ 0 0 -65.1 -37.5 178.9 54.4 105.5 28.7 28 -2.6 36 -2.3 0 0.0 0 0.0 13 46
33 A 32 LEU L H H X TS+ 0 0 -62.0 -44.6 179.8 48.4 108.4 21.6 29 -2.3 37 -2.2 0 0.0 0 0.0 10 43
34 A 33 GLU E H H X TS+ 0 0 -64.6 -38.0 -179.7 49.7 111.8 27.4 30 -1.8 38 -2.4 0 0.0 0 0.0 8 30
35 A 34 GLN Q H H X TS+ 0 0 -68.3 -37.5 -179.1 49.5 110.0 27.1 31 -2.2 39 -1.8 0 0.0 0 0.0 12 47
36 A 35 HIS H H H X TS+ 0 0 -67.8 -36.4 177.9 50.9 111.0 27.8 32 -2.3 40 -2.3 0 0.0 0 0.0 11 58
37 A 36 ASN N H H X TS+ 0 0 -64.1 -45.2 -179.7 50.9 109.0 19.0 33 -2.2 41 -2.6 0 0.0 0 0.0 8 43
38 A 37 ALA A H H X TS+ 0 0 -59.8 -35.5 179.8 52.5 109.0 30.1 34 -2.4 42 -1.6 0 0.0 0 0.0 10 38
39 A 38 TYR Y H H X TS+ 0 0 -67.4 -44.5 177.5 48.0 109.5 24.1 35 -1.8 43 -2.2 0 0.0 0 0.0 10 58
40 A 39 ILE I H H X TS+ 0 0 -63.0 -40.4 -179.8 53.1 109.4 23.9 36 -2.3 44 -1.9 0 0.0 0 0.0 8 52
41 A 40 ARG R H H < TS+ 0 0 -65.0 -34.2 175.2 49.7 108.9 32.9 37 -2.6 0 0.0 0 0.0 0 0.0 8 38
42 A 41 ALA A H H < > TS+ 0 0 -66.2 -45.5 -179.9 50.6 110.2 23.2 38 -1.6 45 -1.7 0 0.0 0 0.0 11 45
43 A 42 LEU L H H < > TS+ 0 0 -64.3 -26.1 176.9 67.3 98.1 37.0 39 -2.2 46 -1.6 0 0.0 0 0.0 10 50
44 A 43 GLN Q T h < 3 TS+ 0 0 -67.9 -13.3 178.4 54.7 97.8 49.5 40 -1.9 0 0.0 0 0.0 0 0.0 10 36
45 A 44 THR T T T < TS+ 0 0 -99.0 6.2 -175.5 79.3 89.4 69.8 42 -1.7 0 0.0 0 0.0 0 0.0 7 32
46 A 45 CYS C S t < TS- 0 0 -104.2 19.9 177.6 -109.8 103.6 82.1 43 -1.6 0 0.0 0 0.0 0 0.0 9 39
47 A 46 ASP D S S S+ 0 0 57.0 43.6 176.3 114.0 80.6 29.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
48 A 47 VAL V - 0 0 -132.2 157.4 170.2 -118.9 66.9 155.0 0 0.0 0 0.0 0 0.0 0 0.0 11 33
49 A 48 ASP D E E Aa - 5 0 -95.1 156.9 -171.4 -139.6 31.3 141.2 4 -2.5 6 -1.9 0 0.0 0 0.0 8 29
50 A 49 ILE I E E Aa - 6 0 -121.3 132.3 174.1 -160.6 13.1 160.9 0 0.0 52 -0.6 0 0.0 0 0.0 10 38
51 A 50 THR T E E Aa - 7 0 -110.0 113.2 -175.4 -167.9 16.4 166.8 6 -2.4 8 -2.4 0 0.0 53 -0.6 8 42
52 A 51 LEU L E E Aa - 8 0 -109.9 110.5 -177.0 -155.9 5.5 154.9 50 -0.6 0 0.0 0 0.0 0 0.0 8 43
53 A 52 LEU L E E Aa - 9 0 -86.6 156.0 -178.7 -102.1 22.3 119.5 8 -3.1 10 -2.5 51 -0.6 0 0.0 8 42
54 A 53 PRO P - 0 0 -73.8 158.3 179.8 -92.9 42.4 106.0 0 0.0 0 0.0 0 0.0 0 0.0 6 37
55 A 54 PRO P - 0 0 -67.3 154.6 176.8 -153.9 29.9 106.2 0 0.0 0 0.0 0 0.0 0 0.0 10 37
56 A 55 ASP D t > T - 0 0 -133.5 108.0 -178.2 -162.0 3.4 156.4 0 0.0 59 -1.8 0 0.0 0 0.0 9 35
57 A 56 GLU E T T 3 TS+ 0 0 -61.4 -23.8 179.9 67.9 86.6 43.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
58 A 57 ARG R T T 3 TS+ 0 0 -69.7 -16.1 -176.6 51.5 101.3 48.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
59 A 58 PHE F t X T - 0 0 -128.0 86.9 -178.7 -174.8 63.8 141.1 56 -1.8 62 -2.4 0 0.0 0 0.0 11 39
60 A 59 PRO P T T 3 TS+ 0 0 -48.0 -37.3 -177.8 42.3 89.4 36.3 0 0.0 0 0.0 0 0.0 0 0.0 16 48
61 A 60 ASP D T T > TS+ 0 0 -97.7 13.2 -177.0 111.8 78.4 74.3 0 0.0 64 -2.2 0 0.0 0 0.0 10 64
62 A 61 SER S T T < T + 0 0 -66.3 -11.4 173.9 75.9 61.3 47.1 59 -2.4 0 0.0 0 0.0 0 0.0 13 65
63 A 62 VAL V T T 3 TS+ 0 0 -65.3 -25.9 179.0 78.9 79.1 38.2 0 0.0 65 -1.8 0 0.0 0 0.0 12 68
64 A 63 PHE F t X T + 0 0 -85.2 67.4 -177.9 162.4 57.3 116.3 61 -2.2 67 -1.6 0 0.0 0 0.0 12 78
65 A 64 VAL V T T > 3 T + 0 0 -64.1 -15.0 175.6 82.0 56.9 50.2 63 -1.8 69 -0.5 0 0.0 0 0.0 14 72
66 A 65 GLU E T T 4 > TS+ 0 0 -57.4 -36.8 -173.8 55.9 87.9 29.0 250 -2.2 69 -0.6 0 0.0 0 0.0 14 72
67 A 66 ASP D T T 4 < TS+ 0 0 -70.6 -43.0 -178.0 54.8 97.7 26.6 64 -1.6 116 -2.1 0 0.0 0 0.0 13 74
68 A 67 PRO P T e 4 3 TS+ 0 0 -69.3 -8.8 -177.7 25.9 113.8 54.2 0 0.0 79 -2.2 0 0.0 0 0.0 15 64
69 A 68 VAL V E E > TS- 0 0 -71.8 118.9 -179.4 -143.1 75.7 126.9 0 0.0 86 -2.0 0 0.0 87 -0.9 7 43
84 A 83 GLU E G G 4 > TS+ 0 0 -46.1 -50.2 -179.8 51.3 98.3 31.6 82 -0.5 87 -0.7 0 0.0 0 0.0 6 32
85 A 84 SER S G G 4 3 TS+ 0 0 -67.9 -11.3 -178.5 45.8 113.4 53.6 0 0.0 0 0.0 0 0.0 0 0.0 6 34
86 A 85 ARG R G G 4 X TS+ 0 0 -111.8 -5.5 -179.4 91.8 81.9 58.7 83 -2.0 89 -1.7 0 0.0 0 0.0 11 47
87 A 86 ARG R G G < X TS+ 0 0 -56.8 -40.5 -179.5 58.1 83.7 26.2 83 -0.9 90 -1.5 84 -0.7 0 0.0 11 46
88 A 87 GLY G G h > > TS+ 0 0 -67.9 -9.2 177.5 85.8 82.0 57.5 0 0.0 91 -0.9 0 0.0 92 -0.8 7 38
89 A 88 GLU E H H > < TS+ 0 0 -64.8 -21.5 178.2 67.9 77.3 43.0 86 -1.7 93 -0.6 0 0.0 0 0.0 10 57
90 A 89 THR T H H > X TS+ 0 0 -64.6 -34.2 -177.5 56.2 95.5 30.2 87 -1.5 94 -1.1 0 0.0 93 -0.6 12 53
91 A 90 GLU E H H 4 < TS+ 0 0 -67.1 -36.4 -178.2 49.5 104.7 32.1 88 -0.9 0 0.0 0 0.0 0 0.0 7 39
92 A 91 ILE I H H < 3 TS+ 0 0 -83.5 -6.7 177.0 43.1 115.8 56.0 88 -0.8 0 0.0 0 0.0 0 0.0 7 43
93 A 92 ILE I H H X < TS+ 0 0 -109.6 -12.3 -177.2 88.5 89.1 55.2 89 -0.6 97 -1.9 90 -0.6 0 0.0 9 53
94 A 93 GLU E H H X TS+ 0 0 -55.6 -41.3 -178.4 55.5 83.1 32.2 90 -1.1 98 -2.6 0 0.0 0 0.0 9 44
95 A 94 GLU E H H > TS+ 0 0 -62.8 -41.7 177.1 47.7 108.9 23.5 0 0.0 99 -1.9 0 0.0 0 0.0 8 33
96 A 95 THR T H H > TS+ 0 0 -62.3 -46.6 -177.7 47.3 113.2 21.6 0 0.0 100 -1.4 0 0.0 0 0.0 7 42
97 A 96 VAL V H H X TS+ 0 0 -62.2 -43.3 -179.3 54.3 109.4 22.1 93 -1.9 101 -2.0 0 0.0 0 0.0 10 46
98 A 97 GLN Q H H < TS+ 0 0 -59.3 -36.9 178.6 53.7 105.6 27.6 94 -2.6 0 0.0 0 0.0 0 0.0 11 32
99 A 98 ARG R H H < TS+ 0 0 -68.0 -33.2 178.5 40.2 114.6 30.9 95 -1.9 0 0.0 0 0.0 0 0.0 7 29
100 A 99 PHE F H H < TS+ 0 0 -84.9 -22.8 -174.1 37.2 124.2 45.2 96 -1.4 0 0.0 0 0.0 0 0.0 6 37
101 A 100 TYR Y S h < > TS- 0 0 -130.3 62.5 -177.6 -170.7 75.9 121.5 97 -2.0 104 -2.2 0 0.0 0 0.0 10 32
102 A 101 PRO P T T 3 TS- 0 0 -63.6 126.5 -178.3 -2.0 79.5 111.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
103 A 102 GLY G T T 3 TS+ 0 0 65.9 23.0 -178.9 88.5 119.4 42.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
104 A 103 LYS K e < T + 0 0 -140.9 35.0 -179.7 119.3 49.3 91.1 101 -2.2 76 -2.3 0 0.0 106 -0.6 9 30
105 A 104 VAL V E E Bd + 76 0 -109.3 121.3 -179.3 179.1 34.2 157.7 0 0.0 0 0.0 0 0.0 0 0.0 12 37
106 A 105 GLU E E E Bd - 77 0 -111.0 168.3 -179.0 -151.5 10.5 128.3 76 -3.2 78 -2.8 104 -0.6 0 0.0 9 48
107 A 106 ARG R E E Bd - 78 0 -147.9 148.4 174.6 -125.2 15.3 179.5 0 0.0 0 0.0 0 0.0 0 0.0 8 52
108 A 107 ILE I e - 0 0 -84.1 144.2 179.2 -165.8 35.5 132.7 78 -2.2 0 0.0 0 0.0 0 0.0 14 48
109 A 108 GLU E t > T - 0 0 -127.8 168.2 176.4 -39.1 24.7 146.9 0 0.0 112 -2.3 0 0.0 0 0.0 8 34
110 A 109 ALA A T T 3 TS+ 0 0 -62.2 150.0 1.5 30.4 116.5 107.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
111 A 110 PRO P T T 3 TS+ 0 0 -91.7 30.1 179.9 86.3 108.0 152.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25
112 A 111 GLY G t < T - 0 0 -86.6 154.9 -178.2 -165.6 53.0 119.8 109 -2.3 0 0.0 0 0.0 0 0.0 14 39
113 A 112 THR T + 0 0 -139.2 125.9 178.3 169.7 13.9 176.3 0 0.0 135 -1.2 0 0.0 0 0.0 17 48
114 A 113 VAL V B B A - 80 0 -142.5 138.6 171.5 -172.7 18.5 169.4 80 -2.1 80 -1.5 0 0.0 0 0.0 16 65
115 A 114 GLU E g > T - 0 0 -126.6 123.5 -173.7 -137.7 26.4 174.5 0 0.0 118 -2.2 0 0.0 0 0.0 16 73
116 A 115 ALA A G G > TS+ 0 0 -62.8 -9.5 174.3 78.8 95.1 56.0 67 -2.1 119 -1.9 0 0.0 0 0.0 11 79
117 A 116 GLY G G G 3 TS+ 0 0 -66.9 -17.4 177.7 62.3 88.7 45.4 0 0.0 165 -2.1 0 0.0 0 0.0 13 72
118 A 117 ASP D G e < TS+ 0 0 -83.8 -0.8 -176.9 86.3 92.0 65.3 115 -2.2 129 -3.1 0 0.0 120 -0.5 15 73
119 A 118 ILE I E E CE < T - 128 0 -113.2 125.5 177.9 -172.4 54.8 154.7 116 -1.9 121 -0.5 0 0.0 0 0.0 12 75
120 A 119 MET M E E CE - 127 0 -116.4 117.6 -177.6 -147.9 14.4 160.6 127 -3.0 127 -2.7 118 -0.5 122 -0.5 12 68
121 A 120 MET M E E CE + 126 0 -88.6 122.3 177.8 172.8 19.9 137.5 119 -0.5 0 0.0 0 0.0 0 0.0 9 66
122 A 121 VAL V E E CE > T - 125 0 -128.3 96.8 -176.5 -55.5 68.4 153.5 125 -3.1 125 -1.9 120 -0.5 0 0.0 9 50
123 A 122 GLY G T T 3 TS- 0 0 67.1 -130.6 179.0 -23.8 119.1 120.6 0 0.0 0 0.0 0 0.0 0 0.0 5 39
124 A 123 ASP D T e 3 TS+ 0 0 -95.8 9.4 179.0 95.3 121.8 69.9 0 0.0 152 -2.6 0 0.0 0 0.0 7 36
125 A 124 HIS H E E CEf< T - 122 152 -101.3 138.1 179.7 -158.3 58.7 145.4 122 -1.9 122 -3.1 0 0.0 127 -0.5 10 41
126 A 125 PHE F E E CEf - 121 153 -119.9 115.3 179.3 -155.0 3.3 163.4 152 -1.6 154 -1.9 0 0.0 0 0.0 13 55
127 A 126 TYR Y E E CEf - 120 154 -89.7 128.2 -176.3 -163.9 14.4 141.7 120 -2.7 120 -3.0 125 -0.5 129 -0.5 13 57
128 A 127 ILE I E E CEf - 119 155 -120.0 116.8 179.9 -141.0 9.0 161.9 154 -2.7 156 -2.5 0 0.0 0 0.0 13 66
129 A 128 GLY G E E C f - 0 156 -77.5 141.1 176.6 -136.6 9.9 118.9 118 -3.1 131 -0.9 127 -0.5 0 0.0 14 57
130 A 129 GLU E E E C f + 0 157 -93.1 105.0 -176.3 146.3 50.5 149.3 156 -2.3 158 -0.9 0 0.0 0 0.0 14 46
131 A 130 SER S - 0 0 -126.6 -166.0 176.4 -81.8 67.7 119.9 134 -1.8 0 0.0 129 -0.9 0 0.0 14 43
132 A 131 ALA A S S S+ 0 0 -73.3 -17.9 -178.6 39.4 131.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 7 43
133 A 132 ARG R S S S+ 0 0 -101.9 -28.0 -179.7 49.6 115.7 46.9 0 0.0 135 -0.5 0 0.0 0 0.0 13 54
134 A 133 THR T S S S- 0 0 -118.8 110.6 -179.0 -162.8 73.8 160.9 0 0.0 131 -1.8 0 0.0 0 0.0 16 57
135 A 134 ASN N h > T - 0 0 -91.3 165.2 -178.4 -105.2 33.3 112.8 113 -1.2 139 -2.5 133 -0.5 0 0.0 12 44
136 A 135 ALA A H H > TS+ 0 0 -57.1 -33.7 179.0 53.6 120.2 36.6 0 0.0 140 -2.2 0 0.0 0 0.0 8 41
137 A 136 GLU E H H > TS+ 0 0 -69.1 -40.5 178.2 47.7 110.2 23.8 0 0.0 141 -2.4 0 0.0 0 0.0 9 36
138 A 137 GLY G H H > TS+ 0 0 -64.7 -45.1 176.7 49.5 111.9 24.6 0 0.0 142 -2.5 0 0.0 0 0.0 15 52
139 A 138 ALA A H H X TS+ 0 0 -58.0 -45.4 179.3 51.9 110.5 23.7 135 -2.5 143 -2.9 0 0.0 0 0.0 16 57
140 A 139 ARG R H H X TS+ 0 0 -57.1 -49.4 -179.8 47.8 109.6 20.8 136 -2.2 144 -2.3 0 0.0 0 0.0 8 44
141 A 140 GLN Q H H X TS+ 0 0 -60.1 -43.1 179.4 48.9 113.4 24.5 137 -2.4 145 -1.9 0 0.0 0 0.0 10 47
142 A 141 MET M H H X TS+ 0 0 -64.6 -44.7 -179.6 50.3 109.7 23.7 138 -2.5 146 -2.6 0 0.0 0 0.0 10 61
143 A 142 ILE I H H X TS+ 0 0 -62.2 -38.6 -179.8 52.3 109.7 21.6 139 -2.9 147 -2.7 0 0.0 0 0.0 11 51
144 A 143 ALA A H H X TS+ 0 0 -62.9 -41.1 179.2 47.3 110.6 25.0 140 -2.3 148 -2.1 0 0.0 0 0.0 8 37
145 A 144 ILE I H H X TS+ 0 0 -65.1 -47.3 178.1 50.3 111.5 20.7 141 -1.9 149 -1.4 0 0.0 0 0.0 9 43
146 A 145 LEU L H H < >TS+ 0 0 -56.2 -44.5 179.9 49.7 111.1 23.3 142 -2.6 151 -3.1 0 0.0 0 0.0 11 45
147 A 146 GLU E H H < >5TS+ 0 0 -63.8 -38.4 178.1 58.6 103.6 27.6 143 -2.7 150 -2.1 0 0.0 0 0.0 10 31
148 A 147 LYS K H H < 35TS+ 0 0 -57.6 -31.3 179.5 46.0 110.4 33.5 144 -2.1 0 0.0 0 0.0 0 0.0 7 27
149 A 148 HIS H T h < 35TS- 0 0 -97.9 13.9 178.6 -101.8 125.1 75.8 145 -1.4 0 0.0 0 0.0 0 0.0 8 30
150 A 149 GLY G T T <5TS+ 0 0 78.5 9.1 177.1 117.1 85.8 53.7 147 -2.1 0 0.0 0 0.0 0 0.0 6 23
151 A 150 LEU L t TS- 0 0 -138.0 161.4 178.2 -105.4 77.7 162.5 0 0.0 166 -1.8 0 0.0 0 0.0 11 66
164 A 163 LEU L G G > TS+ 0 0 -51.6 -48.0 -176.6 55.5 117.5 26.0 0 0.0 167 -1.7 0 0.0 0 0.0 15 64
165 A 164 LYS K G G 3 TS+ 0 0 -73.8 2.3 171.9 82.5 84.4 59.3 117 -2.1 0 0.0 0 0.0 0 0.0 13 68
166 A 165 THR T G G < TS+ 0 0 -65.3 -35.1 -177.7 22.1 111.4 32.5 163 -1.8 0 0.0 0 0.0 0 0.0 12 67
167 A 166 GLY G S e < TS+ 0 0 -121.5 21.4 -178.6 55.9 122.7 81.3 164 -1.7 179 -2.0 0 0.0 0 0.0 16 60
168 A 167 LEU L E E DG + 178 0 -154.4 149.8 178.6 175.0 46.2 176.2 0 0.0 0 0.0 0 0.0 0 0.0 13 69
169 A 168 ALA A E E DG - 177 0 -158.4 125.4 177.3 -144.9 20.1 152.7 177 -1.6 177 -3.2 0 0.0 171 -0.5 13 68
170 A 169 TYR Y E E DG - 176 0 -94.8 123.0 -177.3 -175.3 11.9 143.9 0 0.0 0 0.0 0 0.0 0 0.0 13 62
171 A 170 LEU L e - 0 0 -106.8 28.2 -179.6 -108.6 44.2 86.4 175 -2.8 0 0.0 169 -0.5 0 0.0 11 54
172 A 171 GLU E S t > TS+ 0 0 65.7 168.2 179.3 68.6 96.4 83.0 0 0.0 175 -1.7 0 0.0 0 0.0 8 43
173 A 172 HIS H T T 3 TS- 0 0 59.2 26.4 178.0 -67.5 128.5 41.1 0 0.0 0 0.0 0 0.0 0 0.0 4 34
174 A 173 ASN N T e 3 TS+ 0 0 74.1 11.2 -177.7 138.3 97.1 56.0 0 0.0 192 -2.8 0 0.0 176 -0.6 8 32
175 A 174 ASN N E E D h< T - 0 192 -94.7 117.1 -177.4 -176.3 29.8 144.8 172 -1.7 171 -2.8 0 0.0 0 0.0 11 45
176 A 175 LEU L E E DGh - 170 193 -118.6 122.0 174.1 -147.0 19.6 164.7 192 -2.3 194 -3.1 174 -0.6 0 0.0 13 57
177 A 176 LEU L E E DGh - 169 194 -81.3 133.3 179.3 -179.9 28.6 134.1 169 -3.2 169 -1.6 0 0.0 0 0.0 15 62
178 A 177 ALA A E E DGh + 168 195 -143.2 137.2 177.2 177.8 12.7 175.5 194 -2.6 196 -2.5 0 0.0 0 0.0 14 56
179 A 178 ALA A e > T - 0 0 -129.4 159.1 176.4 -18.2 52.1 156.8 167 -2.0 182 -1.8 0 0.0 0 0.0 14 45
180 A 179 GLY G G G > TS+ 0 0 52.8 -128.6 -176.8 4.6 125.8 99.2 0 0.0 183 -1.0 0 0.0 0 0.0 8 38
181 A 180 GLU E G G 3 TS+ 0 0 -68.1 -9.0 -177.8 64.3 123.7 56.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
182 A 181 PHE F G G X TS+ 0 0 -87.6 -22.2 -177.4 80.5 81.2 40.7 179 -1.8 185 -1.6 0 0.0 0 0.0 10 51
183 A 182 VAL V T g < TS+ 0 0 -51.3 -45.0 -177.6 34.5 100.1 32.8 180 -1.0 0 0.0 0 0.0 0 0.0 10 39
184 A 183 SER S T T 3 TS+ 0 0 -99.6 15.5 -178.7 134.9 83.1 77.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
185 A 184 LYS K g X T - 0 0 -67.8 133.2 178.8 -138.1 55.2 119.4 182 -1.6 188 -1.5 0 0.0 0 0.0 8 32
186 A 185 PRO P G G > TS+ 0 0 -57.1 -38.3 -179.0 62.1 100.9 33.5 0 0.0 189 -1.2 0 0.0 0 0.0 5 21
187 A 186 GLU E G G 3 TS+ 0 0 -62.3 -22.3 -175.9 43.6 107.5 47.9 0 0.0 0 0.0 0 0.0 0 0.0 5 33
188 A 187 PHE F G G X TS+ 0 0 -105.8 4.5 -176.1 100.6 81.9 68.4 185 -1.5 191 -1.5 0 0.0 0 0.0 10 45
189 A 188 GLN Q T g < TS+ 0 0 -69.0 -15.7 177.6 58.7 75.5 47.8 186 -1.2 0 0.0 0 0.0 0 0.0 9 25
190 A 189 ASP D T T 3 TS+ 0 0 -89.8 0.6 176.9 87.1 93.4 57.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
191 A 190 PHE F S t < TS- 0 0 -85.0 165.2 171.9 -106.2 95.6 118.7 188 -1.5 193 -1.2 0 0.0 0 0.0 8 32
192 A 191 ASN N E E Dh - 175 0 -88.3 98.2 -177.2 -148.9 46.6 144.8 174 -2.8 176 -2.3 0 0.0 0 0.0 8 31
193 A 192 ILE I E E Dh - 176 0 -80.0 127.8 177.4 -161.4 14.2 127.4 191 -1.2 195 -0.8 0 0.0 0 0.0 11 37
194 A 193 ILE I E E Dh - 177 0 -106.9 99.0 -178.8 -148.0 16.4 155.4 176 -3.1 178 -2.6 0 0.0 0 0.0 9 49
195 A 194 GLU E E E Dh - 178 0 -72.8 123.4 179.9 -139.3 8.2 125.9 193 -0.8 0 0.0 0 0.0 0 0.0 8 45
196 A 195 ILE I e - 0 0 -84.8 130.1 179.9 -114.3 23.7 134.5 178 -2.5 0 0.0 0 0.0 0 0.0 12 43
197 A 196 PRO P g > T - 0 0 -61.5 148.9 -176.9 -112.7 26.9 108.4 0 0.0 200 -1.3 0 0.0 0 0.0 9 31
198 A 197 GLU E G G > TS+ 0 0 -54.0 -43.9 -179.8 53.5 114.7 32.9 0 0.0 201 -1.6 0 0.0 0 0.0 7 28
199 A 198 GLU E G G 3 TS+ 0 0 -62.8 -23.4 -177.8 43.6 115.2 40.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
200 A 199 GLU E G G X TS+ 0 0 -108.0 17.0 -178.7 127.8 72.7 83.2 197 -1.3 203 -2.0 0 0.0 0 0.0 11 38
201 A 200 SER S G G X T + 0 0 -44.0 -40.6 180.0 64.9 65.9 38.7 198 -1.6 204 -1.9 0 0.0 0 0.0 11 49
202 A 201 TYR Y G G > TS+ 0 0 -53.8 -37.4 -178.8 67.6 90.8 29.2 0 0.0 205 -1.8 0 0.0 0 0.0 8 57
203 A 202 ALA A G G < TS+ 0 0 -69.8 6.8 174.3 86.6 72.5 67.8 200 -2.0 0 0.0 0 0.0 0 0.0 11 59
204 A 203 ALA A G G < TS+ 0 0 -74.3 -18.3 178.4 78.2 77.0 46.7 201 -1.9 206 -0.8 0 0.0 0 0.0 15 63
205 A 204 ASN N g < T + 0 0 -94.4 105.8 179.3 135.4 65.5 148.8 202 -1.8 0 0.0 0 0.0 0 0.0 15 73
206 A 205 CYS C - 0 0 -140.2 163.0 176.1 -128.5 43.6 156.6 204 -0.8 0 0.0 0 0.0 0 0.0 13 74
207 A 206 ILE I E E EI - 214 0 -127.2 130.6 173.3 -149.9 2.7 166.7 214 -2.3 214 -2.6 0 0.0 0 0.0 12 70
208 A 207 TRP W E E EI + 213 0 -84.6 132.9 173.9 172.7 22.6 139.5 0 0.0 0 0.0 0 0.0 0 0.0 11 64
209 A 208 VAL V E E EI > T - 212 0 -142.9 101.2 175.2 -35.3 69.3 146.2 212 -2.7 212 -1.8 0 0.0 0 0.0 11 53
210 A 209 ASN N T T 3 TS- 0 0 54.7 45.1 178.5 -44.4 122.3 28.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
211 A 210 GLU E T e 3 TS+ 0 0 79.1 -1.1 171.2 104.8 120.3 66.9 0 0.0 232 -2.1 0 0.0 0 0.0 7 37
212 A 211 ARG R E E EIj< T - 209 232 -96.2 152.2 174.8 -152.2 59.4 138.9 209 -1.8 209 -2.7 0 0.0 0 0.0 11 48
213 A 212 VAL V E E EIj - 208 233 -129.6 118.7 -179.3 -156.5 3.7 168.2 232 -2.5 234 -2.8 0 0.0 215 -0.5 14 58
214 A 213 ILE I E E EIj + 207 234 -95.1 126.8 -175.9 165.7 24.3 146.3 207 -2.6 207 -2.3 0 0.0 0 0.0 14 63
215 A 214 MET M E E E j - 0 235 -139.4 161.4 177.1 -84.9 41.6 159.2 234 -2.5 236 -2.6 213 -0.5 0 0.0 14 65
216 A 215 PRO P E E E j - 0 236 -65.0 142.9 179.1 -115.4 48.1 111.3 0 0.0 0 0.0 0 0.0 0 0.0 14 59
217 A 216 ALA A S e S+ 0 0 -79.5 147.5 179.7 48.2 92.3 123.5 236 -1.3 0 0.0 0 0.0 0 0.0 8 41
218 A 217 GLY G S S S+ 0 0 99.8 16.7 -178.3 102.9 77.5 52.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
219 A 218 TYR Y h > T + 0 0 -131.1 74.7 -175.2 168.7 38.7 133.5 0 0.0 223 -2.1 0 0.0 0 0.0 9 39
220 A 219 PRO P H H > TS+ 0 0 -63.5 -34.1 -178.7 53.3 71.1 36.6 0 0.0 224 -1.7 0 0.0 0 0.0 6 32
221 A 220 ARG R H H > TS+ 0 0 -68.7 -42.3 179.3 43.8 113.4 23.2 0 0.0 225 -1.9 0 0.0 0 0.0 8 32
222 A 221 THR T H H > TS+ 0 0 -66.9 -40.2 178.0 57.4 109.3 26.2 0 0.0 226 -2.3 0 0.0 0 0.0 11 49
223 A 222 ARG R H H X TS+ 0 0 -58.3 -40.1 179.6 45.3 109.6 25.6 219 -2.1 227 -2.6 0 0.0 0 0.0 10 45
224 A 223 GLU E H H X TS+ 0 0 -73.5 -35.2 177.8 55.7 108.3 28.0 220 -1.7 228 -2.2 0 0.0 0 0.0 8 33
225 A 224 LYS K H H < TS+ 0 0 -62.2 -38.8 177.9 39.3 115.7 24.8 221 -1.9 0 0.0 0 0.0 0 0.0 9 43
226 A 225 ILE I H H < >>TS+ 0 0 -74.6 -48.3 -179.1 55.0 112.4 19.7 222 -2.3 229 -1.3 0 0.0 231 -0.9 11 49
227 A 226 ALA A H H < >5TS+ 0 0 -53.3 -43.4 -179.0 56.9 102.4 27.5 223 -2.6 230 -1.6 0 0.0 0 0.0 10 35
228 A 227 ARG R T h < 35TS+ 0 0 -65.0 -21.6 178.0 66.2 95.3 40.0 224 -2.2 0 0.0 0 0.0 0 0.0 7 24
229 A 228 LEU L T T <5TS- 0 0 -72.6 -19.3 176.8 -100.5 123.1 42.4 226 -1.3 0 0.0 0 0.0 0 0.0 6 31
230 A 229 GLY G T T <5TS+ 0 0 118.1 0.1 -179.8 134.7 76.0 65.9 227 -1.6 0 0.0 0 0.0 0 0.0 6 26
231 A 230 TYR Y t > T + 0 0 -122.2 29.0 -176.8 132.2 26.4 91.0 0 0.0 242 -2.0 0 0.0 241 -1.3 13 57
239 A 238 SER S H H > 3 TS+ 0 0 -52.9 -34.6 -178.6 55.7 70.2 36.4 0 0.0 243 -1.2 0 0.0 0 0.0 7 50
240 A 239 GLU E H H 4 3 TS+ 0 0 -72.8 -26.6 177.5 45.8 110.0 35.1 0 0.0 0 0.0 0 0.0 0 0.0 12 51
241 A 240 TYR Y H H 4 X>TS+ 0 0 -82.7 -31.1 175.6 63.5 103.1 34.2 238 -1.3 246 -2.2 0 0.0 244 -1.4 11 64
242 A 241 ARG R H H < >5TS+ 0 0 -56.1 -35.8 178.4 64.1 93.9 29.8 238 -2.0 245 -1.8 0 0.0 0 0.0 11 58
243 A 242 LYS K T h < 35TS+ 0 0 -59.5 -29.2 178.5 39.8 108.2 40.3 239 -1.2 0 0.0 0 0.0 0 0.0 14 43
244 A 243 ILE I T T <5TS- 0 0 -116.2 39.6 172.8 -99.8 124.3 102.0 241 -1.4 0 0.0 0 0.0 0 0.0 13 51
245 A 244 ASP D T T <5TS+ 0 0 54.3 37.3 179.1 117.2 83.5 42.1 242 -1.8 0 0.0 0 0.0 0 0.0 10 56
246 A 245 GLY G t T - 0 0 -145.5 -156.5 -179.0 -52.6 55.2 128.1 0 0.0 251 -0.9 0 0.0 0 0.0 12 71
248 A 247 VAL V T T 4 TS+ 0 0 -66.0 -32.5 -179.9 50.7 128.2 36.7 0 0.0 0 0.0 0 0.0 0 0.0 14 74
249 A 248 SER S T T 4 > TS+ 0 0 -71.6 -34.9 -176.6 57.1 107.9 25.0 0 0.0 252 -1.2 0 0.0 0 0.0 12 70
250 A 249 SER S T T 4 3 TS+ 0 0 -61.1 -32.2 -171.6 61.3 97.5 43.1 0 0.0 66 -2.2 0 0.0 0 0.0 11 75
251 A 250 MET M T T < 3 TS+ 0 0 -88.4 4.3 176.4 35.3 104.3 70.9 247 -0.9 0 0.0 0 0.0 0 0.0 13 76
252 A 251 SER S t < T - 0 0 -153.1 165.1 171.3 -133.9 59.2 169.1 249 -1.2 0 0.0 0 0.0 0 0.0 13 71
253 A 252 LEU L E E AB - 7 0 -112.7 131.7 -174.6 -163.0 30.6 165.0 7 -1.8 7 -2.0 0 0.0 0 0.0 12 68
254 A 253 ARG R E E AB 6 0 -126.0 121.7 -178.0 999.9 999.9 171.1 0 0.0 0 0.0 0 0.0 0 0.0 10 66
255 A 254 PHE F E E AB 5 0 -160.2 999.9 999.9 999.9 999.9 152.5 5 -2.5 5 -3.0 0 0.0 4 -2.5 9 51
1h70A.pdb
1H70 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE GGGGG S S HHHHHHHHHHHHHHHTTSS EEEEE TT TTTT TTTTEEE SS EEE B SSGGGGGHHHHHHHHHHHH Kabs/Sand
chirality --+--+-----+++++-+-+-+-----+++++++++++++++++-+---------++-+++++++++--+-+--------+-+++++++++++++++++ chirality
bends SSSSS S S SSSSSSSSSSSSSSSSSSS SS SS S SSS SS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>>X<<< >>3<< >33X3><3X3><3< >>3XX>>>>XXXXXXXXX<<<< >444< >444<>>>4>X<<< 4-turns
summary eEEEEEe gGGGGGg S S hHHHHHHHHHHHHHHHhTtS EEEEE tTTtTTTTtTTTeEEEeSSeEEEeB SgGGGGhHHHHHHHHHHHH summary
sequence FMFKHIIARTPARSLVDGLTSSHLGKPDYAKALEQHNAYIRALQTCDVDITLLPPDERFPDSVFVEDPVLCTSRCAIITRPGAESRRGETEIIEETVQRF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand STT EEE TT B GGGEEEETTEEEEEE SSS HHHHHHHHHHHHHTT EEEEEE SSSSSGGGSEEE STTEEEE GGGTT GGGTTSEEEE GGG Kabs/Sand
chirality --+++----++-+--+++--+--+-----+-++--+++++++++++++-+------++++---+++++---+-+---+-+++++-+++++-------+++ chirality
bends SSS SS SSS SS SSS SSSSSSSSSSSSSSS SSSSSSSSS SSS SSSSS SSSSSS SSS bends
turns TTTT TTTT TTTTT TTTT TTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33< >>3<< >33< >>3X<3X>3X<3< >>3X 3-turns
bridge-2 ffffff hhhh bridge-2
bridge-1 ddd A EEEE EEEE ffffff GGG GGG hhhh bridge-1
sheets BBB CCCC CCCCCC CCCCCC DDD DDDD DDDD sheets
4-turns < >>>>XXXXXXX<<<< 4-turns
summary hTTeEEEetTTt BgGGeEEEETeEEEEEE SSShHHHHHHHHHHHHHhTtEEEEEEeSSSSgGGGeEEEetTeEEEEeGGGgTgGGGgTtEEEEegGGG summary
sequence YPGKVERIEAPGTVEAGDIMMVGDHFYIGESARTNAEGARQMIAILEKHGLSGSVVRLEKVLHLKTGLAYLEHNNLLAAGEFVSKPEFQDFNIIEIPEEE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGGG EEETTEEEEESS HHHHHHHHTTT EEEEE HHHHTTT TTTT EEE Kabs/Sand
chirality +++++--+--+--+--++++++++++++-+----+-+++++++-++-++++-- chirality
bends SSS SS SS SSSSSSSSSSS SSSSSSS SSSS bends
turns TTTTT TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns X><<< >33< >>3<< >33X>3<< >33< 3-turns
bridge-2 jjjjj bridge-2
bridge-1 III III jjjjj BBB bridge-1
sheets EEE EEEEE EEEEE AAA sheets
4-turns >>>>XX<<<< >>44<< >444< 4-turns
summary GGGGg EEETeEEEEEeShHHHHHHHHhTTtEEEEE hHHHHhTTttTTTTtEEE summary
sequence SYAANCIWVNERVIMPAGYPRTREKIARLGYRVIEVDTSEYRKIDGGVSSMSLRF sequence
210 220 230 240 250