Secondary structure calculation program - copyright by David Keith Smith, 1989
1g0sA.pdb
1G0S HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 201
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 1 MET M 0 0 999.9 167.8 178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 2 LEU L - 0 0 -59.9 145.8 178.3 -108.1 999.9 106.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 3 LYS K - 0 0 -75.6 150.6 -179.8 -97.7 42.4 119.0 0 0.0 0 0.0 0 0.0 0 0.0 4 6
4 A 4 PRO P - 0 0 -63.9 158.6 178.4 -91.6 45.1 102.1 0 0.0 0 0.0 0 0.0 0 0.0 4 14
5 A 5 ASP D - 0 0 -69.5 153.2 177.9 -106.8 43.4 111.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
6 A 6 ASN N - 0 0 -79.2 141.1 178.2 -171.6 37.4 127.2 0 0.0 0 0.0 0 0.0 0 0.0 4 12
7 A 7 LEU L - 0 0 -136.2 135.7 179.8 -151.2 26.7 177.6 0 0.0 0 0.0 0 0.0 0 0.0 7 12
8 A 8 PRO P S S S+ 0 0 -83.5 3.8 -178.0 71.4 85.5 66.6 0 0.0 0 0.0 0 0.0 0 0.0 4 9
9 A 9 VAL V S S S- 0 0 -115.9 166.2 -177.2 -118.4 89.2 133.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
10 A 10 THR T S S S+ 0 0 -76.3 -39.8 -178.1 34.7 89.8 30.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
11 A 11 PHE F - 0 0 -122.0 155.0 179.2 -163.7 62.1 150.3 0 0.0 0 0.0 0 0.0 0 0.0 8 23
12 A 12 GLY G g > T - 0 0 -118.9 -169.3 179.4 -71.8 49.5 117.9 0 0.0 15 -2.0 0 0.0 0 0.0 8 22
13 A 13 LYS K G G > TS+ 0 0 -59.1 -25.0 179.6 63.8 125.9 41.9 0 0.0 16 -1.1 0 0.0 0 0.0 6 21
14 A 14 ASN N G G 3 TS+ 0 0 -75.5 -8.9 -178.3 62.1 95.1 50.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
15 A 15 ASP D G e < TS+ 0 0 -97.8 4.9 178.4 55.1 101.3 69.6 12 -2.0 39 -2.7 0 0.0 0 0.0 8 27
16 A 16 VAL V E E AA < T - 38 0 -135.7 144.6 178.2 -157.5 65.0 169.6 13 -1.1 0 0.0 0 0.0 0 0.0 10 28
17 A 17 GLU E E E AA - 37 0 -126.2 125.1 179.1 -145.2 11.2 171.8 37 -3.0 37 -2.1 0 0.0 19 -0.7 9 25
18 A 18 ILE I E E AA - 36 0 -92.2 115.9 -178.9 -168.6 9.5 144.6 0 0.0 0 0.0 0 0.0 0 0.0 9 27
19 A 19 ILE I E E A* - 0 0 -67.9 -46.1 -179.7 -49.5 60.3 23.8 35 -1.8 0 0.0 17 -0.7 0 0.0 8 25
20 A 20 ALA A E E AA - 35 0 178.6 164.6 178.5 -119.8 42.9 163.1 35 -1.4 35 -2.1 0 0.0 0 0.0 7 22
21 A 21 ARG R E E AA - 34 0 -123.4 131.8 -179.2 -163.9 23.8 171.0 0 0.0 0 0.0 0 0.0 0 0.0 9 27
22 A 22 GLU E E E AA - 33 0 -118.8 134.3 179.4 -124.0 21.1 163.0 33 -2.0 33 -2.9 0 0.0 0 0.0 7 22
23 A 23 THR T E E AA + 32 0 -78.0 126.4 178.5 179.8 24.8 129.9 0 0.0 0 0.0 0 0.0 0 0.0 9 24
24 A 24 LEU L E E A* S- 0 0 -91.5 -39.3 178.2 -0.4 74.7 35.7 31 -3.3 0 0.0 0 0.0 0 0.0 8 24
25 A 25 TYR Y E E AA - 31 0 -151.9 135.2 177.3 -156.5 62.8 166.4 31 -1.7 31 -2.1 0 0.0 0 0.0 7 19
26 A 26 ARG R E E AA + 30 0 -119.1 122.8 178.5 126.5 36.4 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 18
27 A 27 GLY G S e S- 0 0 -141.7 -148.9 177.0 -61.2 88.5 116.4 29 -1.3 0 0.0 0 0.0 0 0.0 5 14
28 A 28 PHE F S S S+ 0 0 -74.5 -24.9 176.4 39.5 139.2 34.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
29 A 29 PHE F S e S- 0 0 -112.7 150.8 -179.1 -151.2 89.7 147.9 0 0.0 27 -1.3 0 0.0 0 0.0 9 24
30 A 30 SER S E E AAB - 26 55 -127.4 161.0 177.2 -145.7 15.4 149.8 55 -2.5 55 -2.9 0 0.0 0 0.0 12 25
31 A 31 LEU L E E AAB - 25 54 -124.1 119.1 -179.2 -177.3 28.1 173.4 25 -2.1 24 -3.3 0 0.0 25 -1.7 12 29
32 A 32 ASP D E E AAB - 23 53 -115.9 160.4 178.0 -133.9 24.3 142.6 53 -2.8 53 -3.6 0 0.0 34 -0.6 13 33
33 A 33 LEU L E E AAB - 22 52 -115.7 113.3 178.3 -156.5 18.6 162.9 22 -2.9 22 -2.0 0 0.0 0 0.0 12 31
34 A 34 TYR Y E E AAB - 21 51 -88.9 135.3 178.6 -164.7 5.8 139.9 51 -3.1 51 -2.3 32 -0.6 0 0.0 14 32
35 A 35 ARG R E E AAB + 20 50 -120.3 126.0 -177.3 140.4 27.4 171.5 20 -2.1 19 -1.8 0 0.0 20 -1.4 12 25
36 A 36 PHE F E E AAB - 18 49 -157.2 171.6 176.8 -137.4 41.8 163.9 49 -2.2 49 -2.9 0 0.0 0 0.0 12 28
37 A 37 ARG R E E AA - 17 0 -133.2 146.9 -178.6 -178.4 26.8 166.3 17 -2.1 17 -3.0 0 0.0 0 0.0 13 28
38 A 38 HIS H E E AA - 16 0 -148.2 156.0 179.1 -88.9 34.5 170.3 0 0.0 46 -1.9 0 0.0 0 0.0 9 29
39 A 39 ARG R B e A - 45 0 -63.2 144.4 178.3 -140.8 41.1 110.9 15 -2.7 0 0.0 0 0.0 0 0.0 11 23
40 A 40 LEU L t > T - 0 0 -102.7 156.3 -179.3 -111.4 23.0 136.7 44 -3.1 43 -2.0 0 0.0 0 0.0 8 22
41 A 41 PHE F T T 3 TS+ 0 0 -60.8 -23.8 179.4 65.3 115.1 40.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
42 A 42 ASN N T T 3 TS- 0 0 -81.4 10.6 177.6 -102.9 122.6 70.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
43 A 43 GLY G S t < TS+ 0 0 86.2 3.3 179.9 116.5 84.9 60.1 40 -2.0 0 0.0 0 0.0 0 0.0 6 16
44 A 44 GLN Q - 0 0 -104.1 161.2 178.5 -114.0 67.4 130.3 0 0.0 40 -3.1 0 0.0 0 0.0 7 16
45 A 45 MET M B B A - 39 0 -91.6 140.4 -178.7 -126.4 37.2 139.3 0 0.0 0 0.0 0 0.0 0 0.0 8 22
46 A 46 SER S - 0 0 -76.2 179.5 175.0 -103.6 18.9 94.3 38 -1.9 0 0.0 0 0.0 0 0.0 9 21
47 A 47 HIS H - 0 0 -90.0 176.1 179.3 -64.1 64.6 115.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
48 A 48 GLU E - 0 0 -64.7 144.8 179.6 -154.9 55.4 111.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
49 A 49 VAL V E E AB - 36 0 -122.6 140.7 -179.7 -155.0 2.4 162.8 36 -2.9 36 -2.2 0 0.0 0 0.0 9 27
50 A 50 ARG R E E AB + 35 0 -122.1 123.2 179.9 173.8 15.8 166.9 0 0.0 0 0.0 0 0.0 0 0.0 8 28
51 A 51 ARG R E E AB - 34 0 -130.7 138.1 178.5 -135.6 27.3 170.2 34 -2.3 34 -3.1 0 0.0 53 -0.6 7 33
52 A 52 GLU E E E AB - 33 0 -91.6 125.4 -178.2 -166.7 28.0 144.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
53 A 53 ILE I E E AB - 32 0 -122.1 127.0 179.2 -136.9 18.7 164.2 32 -3.6 32 -2.8 51 -0.6 55 -0.6 11 36
54 A 54 PHE F E E ABb - 31 137 -81.8 116.2 -179.7 -161.4 20.5 134.8 136 -2.9 138 -1.7 0 0.0 56 -0.7 11 32
55 A 55 GLU E E E AB + 30 0 -101.8 111.4 -179.4 144.8 31.6 153.7 30 -2.9 30 -2.5 53 -0.6 0 0.0 11 36
56 A 56 ARG R - 0 0 -135.0 19.4 179.3 -112.0 55.4 79.2 54 -0.7 0 0.0 0 0.0 0 0.0 10 34
57 A 57 GLY G - 0 0 82.4 -167.8 -178.6 -72.0 40.2 108.9 0 0.0 0 0.0 0 0.0 0 0.0 10 39
58 A 58 HIS H e - 0 0 -130.8 157.6 -176.6 -140.7 39.0 153.0 0 0.0 99 -2.8 0 0.0 0 0.0 9 41
59 A 59 ALA A E E BcD - 141 98 -125.5 160.7 177.6 -142.3 8.9 145.2 140 -2.5 142 -2.6 0 0.0 0 0.0 13 51
60 A 60 ALA A E E BcD - 142 97 -113.8 136.8 -179.5 -162.1 24.3 160.1 97 -2.9 97 -1.9 0 0.0 0 0.0 16 53
61 A 61 VAL V E E BcD - 143 96 -125.4 138.3 179.5 -163.1 4.8 165.9 142 -3.1 144 -2.1 0 0.0 0 0.0 15 66
62 A 62 LEU L E E BcD - 144 95 -127.8 121.4 177.7 -158.2 9.3 164.2 95 -3.1 95 -1.8 0 0.0 0 0.0 14 69
63 A 63 LEU L E E Bc - 145 0 -92.5 108.7 -179.6 -144.3 21.3 147.0 144 -2.6 146 -2.5 0 0.0 65 -0.8 15 81
64 A 64 PRO P E E Bc + 146 0 -79.8 111.2 -177.8 179.4 26.5 131.8 0 0.0 73 -1.6 0 0.0 0 0.0 14 78
65 A 65 PHE F E E BcE - 147 72 -121.8 129.9 177.2 -162.6 26.3 162.7 146 -2.7 148 -2.1 63 -0.8 0 0.0 14 70
66 A 66 ASP D E E >B E >T - 0 71 -105.2 101.1 -179.2 -173.4 11.3 156.8 71 -2.8 71 -1.7 0 0.0 70 -1.0 12 53
67 A 67 PRO P T T 4 5TS+ 0 0 -68.1 -29.5 -179.6 51.6 80.3 37.1 0 0.0 0 0.0 0 0.0 0 0.0 12 43
68 A 68 VAL V T T 4 5TS+ 0 0 -74.5 -49.4 178.7 29.5 121.8 17.1 0 0.0 0 0.0 0 0.0 0 0.0 7 33
69 A 69 ARG R T T 4 5TS- 0 0 -84.7 -5.8 -178.8 -132.1 104.4 56.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
70 A 70 ASP D T e < 5T + 0 0 52.9 54.4 179.9 137.5 58.6 17.5 66 -1.0 165 -2.1 0 0.0 0 0.0 9 40
71 A 71 GLU E E E BEF T - 0 0 -132.3 93.8 -177.6 -163.3 8.9 151.0 89 -2.7 82 -2.3 0 0.0 0 0.0 9 31
80 A 80 ILE I G G > TS+ 0 0 -53.5 -30.1 -180.0 68.3 83.9 39.5 0 0.0 83 -1.8 0 0.0 0 0.0 7 20
81 A 81 ALA A G G 3 TS+ 0 0 -64.9 -16.0 179.5 61.0 93.6 45.5 0 0.0 0 0.0 0 0.0 0 0.0 6 17
82 A 82 ALA A G G > X TS+ 0 0 -83.4 -11.9 -178.5 92.2 80.4 53.5 79 -2.3 85 -1.1 0 0.0 86 -0.6 9 23
83 A 83 TYR Y G G 4 X TS+ 0 0 -48.6 -54.1 -177.4 51.1 79.7 28.6 80 -1.8 86 -0.9 0 0.0 0 0.0 10 16
84 A 84 ASP D G G 4 3 TS+ 0 0 -66.1 -16.6 -179.3 29.7 121.5 50.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
85 A 85 THR T G G 4 < TS+ 0 0 -129.3 18.3 -179.7 64.6 111.7 79.0 82 -1.1 0 0.0 0 0.0 0 0.0 5 18
86 A 86 SER S S g < < TS- 0 0 -139.4 155.1 178.9 -123.4 76.3 164.2 83 -0.9 0 0.0 82 -0.6 0 0.0 7 21
87 A 87 GLU E S S S+ 0 0 -63.7 -40.3 178.9 14.3 102.2 26.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
88 A 88 THR T - 0 0 -136.7 143.7 179.7 -140.4 64.8 172.5 0 0.0 0 0.0 0 0.0 0 0.0 7 22
89 A 89 PRO P S e S+ 0 0 -80.3 -3.0 178.3 99.7 78.2 59.9 0 0.0 79 -2.7 0 0.0 91 -0.6 11 26
90 A 90 TRP W E E BG - 78 0 -85.8 120.9 -176.7 -170.1 60.8 141.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
91 A 91 LEU L E E BG - 77 0 -116.3 152.5 176.1 -124.4 27.6 144.8 77 -2.5 77 -1.8 89 -0.6 93 -0.6 11 41
92 A 92 LEU L E E BG + 76 0 -92.2 122.1 -177.5 165.3 49.9 147.9 0 0.0 0 0.0 0 0.0 0 0.0 9 55
93 A 93 GLU E E E BG - 75 0 -134.5 178.6 176.8 -100.1 39.1 141.1 75 -3.2 75 -2.3 91 -0.6 0 0.0 12 61
94 A 94 MET M - 0 0 -90.0 165.9 175.9 -86.6 56.2 118.7 0 0.0 0 0.0 0 0.0 0 0.0 13 75
95 A 95 VAL V E E BD + 62 0 -70.1 137.3 -179.4 162.8 67.7 124.6 62 -1.8 62 -3.1 0 0.0 0 0.0 15 68
96 A 96 ALA A E E BD + 61 0 -157.1 164.8 179.6 167.3 21.0 173.1 0 0.0 0 0.0 0 0.0 0 0.0 12 66
97 A 97 GLY G E E BD - 60 0 -173.9 159.1 -179.4 -87.1 39.9 165.4 60 -1.9 60 -2.9 0 0.0 0 0.0 10 45
98 A 98 MET M E E BD - 59 0 -75.7 143.6 178.4 -126.1 39.3 118.7 0 0.0 100 -0.5 0 0.0 0 0.0 9 41
99 A 99 ILE I e - 0 0 -90.6 125.7 179.5 -164.5 32.5 144.1 58 -2.8 0 0.0 0 0.0 0 0.0 12 34
100 A 100 GLU E t > T - 0 0 -106.0 174.5 -179.6 -52.5 37.4 124.5 98 -0.5 103 -1.9 0 0.0 0 0.0 5 29
101 A 101 GLU E T T 3 TS+ 0 0 -47.7 120.1 178.1 3.5 123.0 99.3 0 0.0 0 0.0 0 0.0 0 0.0 4 16
102 A 102 GLY G T T 3 TS+ 0 0 77.5 17.6 179.4 122.3 100.1 48.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
103 A 103 GLU E t < T - 0 0 -114.8 140.4 178.2 -138.9 52.8 155.7 100 -1.9 0 0.0 0 0.0 0 0.0 8 23
104 A 104 SER S h > T - 0 0 -89.3 163.5 178.7 -112.1 27.8 120.9 0 0.0 108 -2.2 0 0.0 0 0.0 7 31
105 A 105 VAL V H H > TS+ 0 0 -60.5 -39.1 -179.3 51.6 120.8 27.2 0 0.0 109 -2.7 0 0.0 0 0.0 11 42
106 A 106 GLU E H H > TS+ 0 0 -67.9 -37.1 178.5 52.3 106.6 29.8 0 0.0 110 -2.4 0 0.0 0 0.0 9 43
107 A 107 ASP D H H > TS+ 0 0 -61.6 -50.5 -179.4 43.0 114.4 18.2 0 0.0 111 -2.2 0 0.0 0 0.0 8 39
108 A 108 VAL V H H X TS+ 0 0 -61.3 -48.2 -179.2 51.2 113.4 21.1 104 -2.2 112 -3.1 0 0.0 0 0.0 14 43
109 A 109 ALA A H H X TS+ 0 0 -58.1 -44.3 -179.8 45.6 112.8 25.3 105 -2.7 113 -1.7 0 0.0 0 0.0 15 56
110 A 110 ARG R H H X TS+ 0 0 -67.7 -39.7 179.5 46.6 115.3 27.9 106 -2.4 114 -1.0 0 0.0 0 0.0 11 47
111 A 111 ARG R H H X > TS+ 0 0 -67.0 -48.7 179.6 48.9 112.6 21.1 107 -2.2 115 -2.1 0 0.0 114 -0.6 8 40
112 A 112 GLU E H H X 3>TS+ 0 0 -61.1 -34.9 179.7 60.4 104.2 32.8 108 -3.1 116 -2.6 0 0.0 117 -0.6 12 52
113 A 113 ALA A H H X 35TS+ 0 0 -62.9 -32.8 178.3 46.1 108.2 33.1 109 -1.7 119 -2.7 0 0.0 117 -0.9 15 56
114 A 114 ILE I H H X <5TS+ 0 0 -75.7 -49.0 -179.0 38.0 118.7 20.0 110 -1.0 118 -1.1 111 -0.6 0 0.0 10 40
115 A 115 GLU E H H < 5TS+ 0 0 -78.9 -19.7 178.9 36.3 125.3 42.6 111 -2.1 0 0.0 0 0.0 0 0.0 8 36
116 A 116 GLU E H H < 5TS+ 0 0 -97.3 -40.1 -177.9 11.7 137.4 32.3 112 -2.6 0 0.0 0 0.0 0 0.0 12 44
117 A 117 ALA A H H < > T - 0 0 -170.5 73.1 -179.1 -172.0 63.8 110.8 0 0.0 136 -2.5 0 0.0 137 -2.3 8 26
134 A 134 PRO P T T 4 3 TS+ 0 0 -50.9 -14.5 178.8 72.0 79.1 55.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
135 A 135 GLY G T T 4 3 TS+ 0 0 -75.8 -22.0 -178.6 7.2 121.7 40.4 0 0.0 0 0.0 0 0.0 0 0.0 4 21
136 A 136 GLY G T T 4 < TS+ 0 0 -133.4 -18.7 -179.7 44.8 125.2 54.0 133 -2.5 54 -2.9 0 0.0 0 0.0 8 26
137 A 137 THR T B B < b T - 54 0 -136.0 150.8 179.6 -147.3 53.4 165.5 133 -2.3 0 0.0 0 0.0 0 0.0 11 30
138 A 138 SER S + 0 0 -84.3 -14.2 -176.8 136.3 55.3 52.4 54 -1.7 0 0.0 0 0.0 0 0.0 13 31
139 A 139 GLU E e - 0 0 -45.7 124.3 178.7 -174.4 31.4 92.3 0 0.0 132 -1.8 0 0.0 0 0.0 13 36
140 A 140 ARG R E E B H - 0 131 -120.9 139.7 -179.5 -164.3 4.8 159.7 0 0.0 59 -2.5 0 0.0 0 0.0 11 37
141 A 141 SER S E E BcH - 59 130 -130.3 125.5 179.9 -153.2 6.2 173.9 130 -2.7 130 -2.9 0 0.0 143 -0.6 13 48
142 A 142 SER S E E BcH - 60 129 -103.7 120.8 -179.3 -153.3 12.6 151.3 59 -2.6 61 -3.1 0 0.0 0 0.0 13 49
143 A 143 ILE I E E BcH + 61 128 -96.4 140.9 176.8 175.4 15.5 136.8 128 -3.7 127 -2.8 141 -0.6 128 -1.1 14 53
144 A 144 MET M E E BcH - 62 126 -134.4 155.0 175.9 -125.8 28.6 158.2 61 -2.1 63 -2.6 0 0.0 146 -0.5 15 57
145 A 145 VAL V E E BcH - 63 125 -103.2 128.6 178.7 -156.0 24.5 158.7 125 -2.7 125 -1.5 0 0.0 147 -0.5 12 66
146 A 146 GLY G E E BcH - 64 124 -109.7 124.1 178.9 -133.4 12.2 157.0 63 -2.5 65 -2.7 144 -0.5 0 0.0 13 62
147 A 147 GLU E E E Bc + 65 0 -73.7 126.9 179.3 165.4 39.9 126.9 123 -3.6 122 -3.3 145 -0.5 0 0.0 12 57
148 A 148 VAL V e - 0 0 -138.4 166.9 175.7 -118.6 46.0 154.4 65 -2.1 150 -0.8 0 0.0 0 0.0 11 52
149 A 149 ASP D g > T - 0 0 -105.1 105.9 -177.1 -153.8 27.3 160.3 0 0.0 152 -2.0 0 0.0 0 0.0 8 41
150 A 150 ALA A G G > TS+ 0 0 -58.5 -16.5 178.9 66.4 88.5 48.3 148 -0.8 153 -0.8 0 0.0 0 0.0 12 41
151 A 151 THR T G G 3 TS+ 0 0 -75.5 -23.1 -178.5 57.7 95.0 42.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
152 A 152 THR T G G < TS+ 0 0 -88.4 1.7 179.9 120.9 79.0 66.1 149 -2.0 0 0.0 0 0.0 0 0.0 7 32
153 A 153 ALA A g < T 0 0 -60.5 163.0 -179.4 999.9 999.9 97.3 150 -0.8 0 0.0 0 0.0 0 0.0 11 41
154!A 154 SER S 0 0 -141.4 999.9 999.9 999.9 999.9 138.4 117 -1.8 0 0.0 0 0.0 0 0.0 6 32
155!A 163 ASN N 0 0 999.9 -15.1 177.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
156 A 164 GLU E + 0 0 -81.8 -16.9 179.4 31.3 999.9 46.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
157 A 165 ASP D S S S+ 0 0 -108.7 -21.6 -177.9 44.0 125.6 52.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
158 A 166 ILE I - 0 0 -134.2 124.6 178.6 -163.0 62.6 169.1 0 0.0 0 0.0 0 0.0 0 0.0 10 34
159 A 167 ARG R E E BF - 76 0 -106.9 134.6 -179.8 -132.6 19.3 153.1 76 -2.1 76 -2.9 0 0.0 0 0.0 10 34
160 A 168 VAL V E E BF - 75 0 -87.1 141.0 -179.6 -169.9 19.1 130.5 0 0.0 0 0.0 0 0.0 0 0.0 12 45
161 A 169 HIS H E E BF - 74 0 -134.0 111.7 178.8 -164.8 5.2 161.5 74 -3.1 74 -3.5 0 0.0 163 -0.6 8 47
162 A 170 VAL V E E BF + 73 0 -100.4 118.4 -180.0 154.9 24.8 150.1 0 0.0 0 0.0 0 0.0 0 0.0 10 45
163 A 171 VAL V E E BF - 72 0 -134.3 167.2 179.6 -86.9 47.5 149.6 72 -2.0 72 -2.8 161 -0.6 0 0.0 10 43
164 A 172 SER S E E >BF T - 71 0 -71.8 158.6 178.0 -115.1 38.6 111.4 0 0.0 168 -2.4 0 0.0 0 0.0 10 38
165 A 173 ARG R H H > TS+ 0 0 -59.3 -40.5 -179.7 53.6 118.7 25.6 70 -2.1 169 -2.8 0 0.0 0 0.0 10 49
166 A 174 GLU E H H > TS+ 0 0 -63.3 -37.3 178.7 48.9 108.4 28.4 0 0.0 170 -2.7 0 0.0 0 0.0 6 38
167 A 175 GLN Q H H > TS+ 0 0 -67.1 -47.0 179.3 48.2 112.1 19.1 0 0.0 171 -2.1 0 0.0 0 0.0 8 34
168 A 176 ALA A H H X TS+ 0 0 -58.9 -45.5 -179.4 45.6 115.0 21.5 164 -2.4 172 -1.1 0 0.0 0 0.0 12 49
169 A 177 TYR Y H H X > TS+ 0 0 -65.5 -43.8 179.5 53.3 109.6 23.6 165 -2.8 173 -2.1 0 0.0 172 -0.7 11 43
170 A 178 GLN Q H H X 3 TS+ 0 0 -59.7 -33.5 178.3 56.1 105.8 30.5 166 -2.7 174 -2.0 0 0.0 0 0.0 8 29
171 A 179 TRP W H H < 3>TS+ 0 0 -67.6 -29.3 177.8 50.5 105.5 36.3 167 -2.1 176 -2.0 0 0.0 177 -1.7 10 38
172 A 180 VAL V H H < X5TS+ 0 0 -70.9 -43.4 -179.6 50.4 110.4 24.4 168 -1.1 175 -1.0 169 -0.7 0 0.0 12 35
173 A 181 GLU E H H < 35TS+ 0 0 -61.9 -38.8 179.7 46.0 112.3 32.1 169 -2.1 0 0.0 0 0.0 0 0.0 7 26
174 A 182 GLU E T h < 35TS- 0 0 -85.0 -1.9 -180.0 -113.7 116.8 63.9 170 -2.0 0 0.0 0 0.0 0 0.0 7 21
175 A 183 GLY G T T <5TS+ 0 0 81.9 7.1 179.8 120.6 84.4 55.7 172 -1.0 0 0.0 0 0.0 0 0.0 7 29
176 A 184 LYS K S t TS- 0 0 -89.7 141.0 -177.2 -119.4 70.4 138.7 0 0.0 183 -2.3 0 0.0 0 0.0 8 50
180 A 188 ALA A H H > TS+ 0 0 -47.6 -45.7 -178.6 53.5 107.8 33.5 0 0.0 184 -2.5 0 0.0 0 0.0 7 45
181 A 189 ALA A H H > TS+ 0 0 -60.5 -44.6 179.6 41.3 113.7 25.5 0 0.0 185 -2.2 0 0.0 0 0.0 11 53
182 A 190 SER S H H > TS+ 0 0 -70.6 -42.2 -179.9 51.3 114.4 26.0 0 0.0 186 -2.9 0 0.0 0 0.0 12 62
183 A 191 VAL V H H X TS+ 0 0 -61.9 -45.2 179.7 44.0 114.4 22.6 179 -2.3 187 -1.8 0 0.0 0 0.0 11 50
184 A 192 ILE I H H X TS+ 0 0 -65.3 -48.3 -179.7 45.4 116.9 19.1 180 -2.5 188 -2.2 0 0.0 0 0.0 8 51
185 A 193 ALA A H H X TS+ 0 0 -62.8 -44.2 -179.3 44.9 116.1 25.4 181 -2.2 189 -2.5 0 0.0 0 0.0 11 59
186 A 194 LEU L H H X TS+ 0 0 -73.0 -29.0 178.0 49.8 113.2 36.4 182 -2.9 190 -2.0 0 0.0 0 0.0 12 58
187 A 195 GLN Q H H X TS+ 0 0 -73.8 -37.2 178.8 49.3 112.4 27.3 183 -1.8 191 -1.5 0 0.0 0 0.0 9 44
188 A 196 TRP W H H X TS+ 0 0 -63.9 -46.0 179.9 48.6 111.8 20.0 184 -2.2 192 -1.7 0 0.0 0 0.0 9 42
189 A 197 LEU L H H X TS+ 0 0 -61.9 -37.0 -179.2 53.9 107.9 30.4 185 -2.5 193 -1.8 0 0.0 0 0.0 8 55
190 A 198 GLN Q H H < TS+ 0 0 -67.9 -29.9 -179.6 44.5 112.8 34.0 186 -2.0 0 0.0 0 0.0 0 0.0 9 35
191 A 199 LEU L H H < TS+ 0 0 -85.2 -24.7 -178.2 28.2 126.9 43.3 187 -1.5 0 0.0 0 0.0 0 0.0 6 30
192 A 200 HIS H H H X TS+ 0 0 -119.2 5.3 -175.2 111.7 82.1 67.3 188 -1.7 196 -2.5 0 0.0 0 0.0 8 34
193 A 201 HIS H H H X TS+ 0 0 -53.7 -42.2 -179.9 45.7 80.1 34.7 189 -1.8 197 -2.5 0 0.0 0 0.0 9 40
194 A 202 GLN Q H H > TS+ 0 0 -68.4 -43.8 -179.9 48.9 114.0 20.6 0 0.0 198 -2.2 0 0.0 0 0.0 6 26
195 A 203 ALA A H H > TS+ 0 0 -59.3 -44.7 -179.0 46.5 114.5 20.3 0 0.0 199 -2.3 0 0.0 0 0.0 7 22
196 A 204 LEU L H H X TS+ 0 0 -63.6 -44.7 178.6 51.5 110.5 25.2 192 -2.5 200 -2.3 0 0.0 0 0.0 9 38
197 A 205 LYS K H H < TS+ 0 0 -60.8 -35.4 179.1 48.2 112.1 32.3 193 -2.5 0 0.0 0 0.0 0 0.0 10 33
198 A 206 ASN N H H < > TS+ 0 0 -72.4 -40.2 -179.7 51.7 109.8 26.1 194 -2.2 201 -0.8 0 0.0 0 0.0 7 20
199 A 207 GLU E H H < 3 TS+ 0 0 -63.3 -37.4 -178.9 38.2 117.9 28.6 195 -2.3 0 0.0 0 0.0 0 0.0 6 24
200 A 208 TRP W T h < 3 T 0 0 -96.6 7.5 -179.8 999.9 999.9 69.0 196 -2.3 0 0.0 0 0.0 0 0.0 6 28
201 A 209 ALA A t < T 0 0 -55.6 999.9 999.9 999.9 999.9 93.3 198 -0.8 0 0.0 0 0.0 0 0.0 6 20
1g0sA.pdb
1G0S HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS GGGEEEEEEEEEEESSSEEEEEEEEEB TTS B EEEEEEE EEEEEEEETTTTEEEEEEEE GGGGGGSS SEEEE EEEE Kabs/Sand
chirality ------+-+--+++-------+--+-+------+-----+-+------+----+--------+--++-+-----+---++++++-+-+--+--++---- chirality
bends SSS SSS S SSS SSS SSS SSSSSSSS S bends
turns TTTTT TTTT TTTTTT TTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>3XX3<< > 3-turns
bridge-2 BBBBBBB b DDDD EE FFFFFF bridge-2
bridge-1 AAA*AAAA*AA AAAAAAAAAA A BBBBBBB ccccccc EE GGGG GGGG DDDD bridge-1
sheets AAAAAAAAAAA AAAAAAAAA AAAAAAA BBBBBBBB BBBBBBBB BBBB BBBB sheets
4-turns >444< >444< 4-turns
summary SSS gGGeEEEEEEEEEEEeSeEEEEEEEEEetTTt B EEEEEEE eEEEEEEEETTTeEEEEEEEEeGGGGGGgS eEEEE EEEEet summary
sequence MLKPDNLPVTFGKNDVEIIARETLYRGFFSLDLYRFRHRLFNGQMSHEVRREIFERGHAAVLLPFDPVRDEVVLIEQIRIAAYDTSETPWLLEMVAGMIE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT HHHHHHHHHHHHH EEEEEEEES TTTB EEEEEEEE GGG S EEEEEEHHHHHHHHHTTSS SHHHHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality ++--++++++++++++-+---+---+-------+++-+----+---+--+++ ++----+--+++++++++-++++-++++++++++++++++++++ chirality
bends SS SSSSSSSSSSSSS S SSS SSS S SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTT TTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 33< >33< >33< >>3<< >33X33< >33 3-turns
bridge-2 HHHHHHH bridge-2
bridge-1 HHH*HHHH b ccccccc FFFFFF bridge-1
sheets BBBBBBBB BBBBBBBB BBBBBB sheets
4-turns >>>>XXXXXXX<<<< >444< >>>>XXX<<<< >>>>XXXXXXX<>X<<<< 4-turns
summary TTthHHHHHHHHHHHHHh eEEEEEEEEetTTTB eEEEEEEEEegGGGg S EEEEEEHHHHHHHHHhTtS hHHHHHHHHHHHHHHHHHHHHh summary
sequence EGESVEDVARREAIEEAGLIVKRTKPVLSFLASPGGTSERSSIMVGEVDATTASNEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHHQALKNEW sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns T turns
5-turns 5-turns
3-turns < 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary t summary
sequence A sequence
Messages
chain break between 154(A 154 ) and 155(A 163 )