Secondary structure calculation program - copyright by David Keith Smith, 1989
1fm2A.pdb
1FM2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 151
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 7 GLN Q 0 0 999.9 -83.8 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 8 ALA A - 0 0 -86.3 147.3 180.0 -99.4 999.9 128.8 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 9 PRO P - 0 0 -57.3 168.6 178.6 -79.0 52.8 92.3 0 0.0 0 0.0 0 0.0 0 0.0 4 6
4 A 10 ILE I - 0 0 -68.1 151.0 -180.0 -82.1 64.9 113.2 0 0.0 0 0.0 0 0.0 0 0.0 4 7
5 A 11 ALA A - 0 0 -56.1 133.9 179.9 -118.0 51.9 107.2 0 0.0 0 0.0 0 0.0 0 0.0 4 8
6 A 12 ALA A - 0 0 -72.3 157.2 179.3 -108.3 26.0 108.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12
7 A 13 TYR Y - 0 0 -88.7 138.7 179.8 -150.2 21.6 134.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
8 A 14 LYS K - 0 0 -110.8 93.4 179.9 -145.2 15.0 146.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
9 A 15 PRO P - 0 0 -60.3 129.6 179.9 -171.4 14.5 110.7 0 0.0 0 0.0 0 0.0 0 0.0 8 21
10 A 16 ARG R + 0 0 -102.4 2.8 178.7 25.4 69.9 68.8 0 0.0 0 0.0 0 0.0 0 0.0 6 17
11 A 17 SER S S S S- 0 0 -160.6 156.1 179.8 -103.0 83.4 169.9 0 0.0 13 -0.6 0 0.0 0 0.0 7 20
12 A 18 ASN N + 0 0 -87.9 122.0 -178.7 136.3 58.2 138.7 0 0.0 0 0.0 0 0.0 0 0.0 12 29
13 A 19 GLU E E E AA - 25 0 -163.5 148.6 176.9 -135.8 45.8 168.3 25 -2.0 25 -2.7 11 -0.6 15 -0.5 8 31
14 A 20 ILE I E E AA - 24 0 -109.9 127.6 178.0 -160.8 15.8 161.4 0 0.0 16 -0.7 0 0.0 0 0.0 10 34
15 A 21 LEU L E E AA - 23 0 -110.0 110.3 -179.2 -158.1 12.0 160.1 23 -2.5 23 -1.4 13 -0.5 0 0.0 8 25
16 A 22 TRP W E E AA - 22 0 -91.3 134.8 179.3 -147.0 4.5 138.0 14 -0.7 0 0.0 0 0.0 0 0.0 9 20
17 A 23 ASP D e > T - 0 0 -90.3 -179.8 -178.8 -85.2 37.9 107.0 21 -2.0 20 -1.9 0 0.0 0 0.0 8 15
18 A 24 GLY G T T 3 TS+ 0 0 -63.1 -10.9 179.5 52.5 125.9 55.3 0 0.0 0 0.0 0 0.0 0 0.0 5 10
19 A 25 TYR Y T T 3 TS- 0 0 -107.8 8.5 179.4 -99.9 121.1 71.6 0 0.0 0 0.0 0 0.0 0 0.0 5 12
20 A 26 GLY G S t < TS+ 0 0 83.1 19.9 178.8 149.4 71.6 44.6 17 -1.9 0 0.0 0 0.0 0 0.0 7 18
21 A 27 VAL V e - 0 0 -89.6 121.4 179.9 -139.3 39.8 141.5 0 0.0 17 -2.0 0 0.0 0 0.0 7 22
22 A 28 PRO P E E AA - 16 0 -86.1 131.9 177.2 -161.6 10.9 132.2 0 0.0 24 -0.8 0 0.0 0 0.0 9 28
23 A 29 HIS H E E AA - 15 0 -110.8 96.8 -177.4 -160.2 19.4 155.0 15 -1.4 15 -2.5 0 0.0 25 -0.6 8 31
24 A 30 ILE I E E AA - 14 0 -87.6 118.0 178.8 -171.9 9.6 136.6 22 -0.8 26 -0.5 0 0.0 0 0.0 11 37
25 A 31 TYR Y E E AA + 13 0 -112.4 124.0 179.7 175.7 8.5 161.1 13 -2.7 13 -2.0 23 -0.6 0 0.0 12 33
26 A 32 GLY G - 0 0 -128.6 148.3 -179.8 -136.1 37.3 162.3 24 -0.5 0 0.0 0 0.0 0 0.0 14 31
27 A 33 VAL V S S S+ 0 0 -75.1 -12.2 178.0 5.7 93.9 51.6 0 0.0 0 0.0 0 0.0 0 0.0 11 24
28 A 34 ASP D S h > TS- 0 0 -157.1 174.7 -178.5 -87.4 90.1 159.9 0 0.0 32 -1.8 0 0.0 0 0.0 6 29
29 A 35 ALA A H H > TS+ 0 0 -57.7 -53.3 -179.9 50.4 120.5 20.5 0 0.0 33 -2.3 0 0.0 0 0.0 8 33
30 A 36 PRO P H H > TS+ 0 0 -53.7 -43.2 -179.6 52.7 109.3 25.7 0 0.0 34 -2.3 0 0.0 0 0.0 11 34
31 A 37 SER S H H > TS+ 0 0 -60.0 -43.4 179.8 49.4 108.9 25.3 0 0.0 35 -2.5 0 0.0 0 0.0 11 39
32 A 38 ALA A H H X TS+ 0 0 -63.5 -43.7 179.6 48.0 111.4 23.8 28 -1.8 36 -2.1 0 0.0 0 0.0 13 41
33 A 39 PHE F H H X TS+ 0 0 -64.9 -35.1 178.6 53.1 110.7 29.4 29 -2.3 37 -2.2 0 0.0 0 0.0 13 41
34 A 40 TYR Y H H X TS+ 0 0 -63.4 -47.6 179.6 46.6 110.2 20.4 30 -2.3 38 -2.4 0 0.0 0 0.0 15 45
35 A 41 GLY G H H X TS+ 0 0 -63.0 -33.3 179.8 53.5 110.9 32.4 31 -2.5 39 -2.7 0 0.0 0 0.0 16 46
36 A 42 TYR Y H H X TS+ 0 0 -68.6 -39.7 178.9 48.2 108.9 28.8 32 -2.1 40 -2.5 0 0.0 0 0.0 11 47
37 A 43 GLY G H H X TS+ 0 0 -67.1 -40.3 179.2 49.5 112.2 25.5 33 -2.2 41 -2.0 0 0.0 0 0.0 14 56
38 A 44 TRP W H H X TS+ 0 0 -61.9 -49.9 179.9 48.2 112.1 17.7 34 -2.4 42 -2.4 0 0.0 0 0.0 14 55
39 A 45 ALA A H H X TS+ 0 0 -58.1 -46.7 179.7 48.7 111.7 25.0 35 -2.7 43 -2.7 0 0.0 0 0.0 11 47
40 A 46 GLN Q H H X TS+ 0 0 -64.0 -35.2 179.2 50.7 110.8 30.5 36 -2.5 44 -3.0 0 0.0 0 0.0 10 44
41 A 47 ALA A H H X TS+ 0 0 -67.4 -41.0 178.9 49.3 111.4 24.5 37 -2.0 45 -1.9 0 0.0 0 0.0 14 50
42 A 48 ARG R H H < TS+ 0 0 -60.3 -51.8 -177.7 32.7 121.8 16.6 38 -2.4 0 0.0 0 0.0 0 0.0 9 42
43 A 49 SER S H H < TS+ 0 0 -79.2 -30.4 -177.3 6.8 142.6 38.6 39 -2.7 0 0.0 0 0.0 0 0.0 7 38
44 A 50 HIS H H H X TS+ 0 0 -143.6 26.2 -178.5 135.4 78.9 84.1 40 -3.0 48 -2.0 0 0.0 0 0.0 8 34
45 A 51 GLY G H H X T + 0 0 -46.7 -48.6 -177.9 54.3 69.5 33.6 41 -1.9 49 -2.5 0 0.0 0 0.0 11 45
46 A 52 ASP D H H > TS+ 0 0 -57.6 -50.3 -179.4 38.9 113.8 21.7 0 0.0 50 -1.7 0 0.0 0 0.0 10 40
47 A 53 ASN N H H > TS+ 0 0 -71.8 -30.9 179.2 54.1 114.7 34.5 0 0.0 51 -2.5 0 0.0 0 0.0 7 37
48 A 54 ILE I H H X TS+ 0 0 -67.7 -47.3 179.8 46.1 110.1 18.5 44 -2.0 52 -2.9 0 0.0 0 0.0 9 51
49 A 55 LEU L H H X TS+ 0 0 -62.2 -37.9 179.0 51.3 113.2 27.0 45 -2.5 53 -2.2 0 0.0 0 0.0 12 56
50 A 56 ARG R H H X TS+ 0 0 -63.8 -45.8 -180.0 46.1 111.7 20.5 46 -1.7 54 -1.9 0 0.0 0 0.0 10 51
51 A 57 LEU L H H X TS+ 0 0 -63.7 -42.1 179.3 50.3 112.2 25.0 47 -2.5 55 -2.4 0 0.0 0 0.0 9 54
52 A 58 TYR Y H H X TS+ 0 0 -63.4 -37.2 178.9 55.8 107.6 28.2 48 -2.9 56 -1.0 0 0.0 0 0.0 14 57
53 A 59 GLY G H H < >TS+ 0 0 -61.2 -41.4 -180.0 46.0 109.0 24.8 49 -2.2 58 -1.8 0 0.0 0 0.0 12 58
54 A 60 GLU E H H < >5TS+ 0 0 -67.8 -41.7 -179.2 57.4 106.8 25.1 50 -1.9 57 -2.1 0 0.0 0 0.0 12 56
55 A 61 ALA A H H < 35TS+ 0 0 -62.2 -21.0 178.3 60.3 99.8 44.8 51 -2.4 0 0.0 0 0.0 0 0.0 15 56
56 A 62 ARG R T h < 35TS- 0 0 -79.1 -13.7 -178.2 -116.0 118.5 53.0 52 -1.0 0 0.0 0 0.0 0 0.0 11 55
57 A 63 GLY G T T <5TS+ 0 0 84.1 19.9 -179.6 112.0 89.0 46.7 54 -2.1 0 0.0 0 0.0 0 0.0 14 49
58 A 64 LYS K h > >TS+ 0 0 -61.0 -48.8 179.7 45.1 84.2 19.2 0 0.0 63 -3.2 0 0.0 64 -0.5 15 42
60 A 66 ALA A H H > 5TS+ 0 0 -61.7 -40.2 -179.2 48.7 115.6 26.6 0 0.0 64 -1.6 0 0.0 0 0.0 12 31
61 A 67 GLU E H H 4 5TS+ 0 0 -66.2 -47.1 -178.7 35.9 119.8 21.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
62 A 68 TYR Y H H < 5TS+ 0 0 -75.0 -41.7 -175.3 12.6 136.9 28.3 58 -3.1 0 0.0 0 0.0 0 0.0 9 33
63 A 69 TRP W H H < 5TS- 0 0 -123.2 0.3 177.8 -127.6 96.0 63.5 59 -3.2 0 0.0 0 0.0 0 0.0 9 32
64 A 70 GLY G h < > > TS+ 0 0 -45.2 -39.7 179.8 67.4 119.3 43.5 0 0.0 68 -1.3 0 0.0 69 -0.6 7 17
66 A 72 ASP D G T 4 3 TS+ 0 0 -61.9 -16.6 -179.6 36.6 111.0 47.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
67 A 73 TYR Y G h > < TS+ 0 0 -116.8 6.1 -178.1 93.9 92.3 71.1 64 -2.3 71 -1.5 0 0.0 0 0.0 11 29
68 A 74 GLU E H H > < TS+ 0 0 -68.7 -39.6 -179.9 56.3 78.6 30.4 65 -1.3 72 -2.5 0 0.0 0 0.0 10 26
69 A 75 GLN Q H H X TS+ 0 0 -61.0 -43.1 179.3 45.7 109.8 24.1 65 -0.6 73 -2.1 0 0.0 0 0.0 8 33
70 A 76 THR T H H > TS+ 0 0 -67.8 -36.5 178.8 54.7 110.5 28.3 0 0.0 74 -2.8 0 0.0 0 0.0 10 45
71 A 77 THR T H H X TS+ 0 0 -61.2 -46.3 179.9 45.7 110.2 19.7 67 -1.5 75 -2.6 0 0.0 0 0.0 13 39
72 A 78 VAL V H H X TS+ 0 0 -63.6 -38.8 179.7 50.4 113.7 28.1 68 -2.5 76 -2.1 0 0.0 0 0.0 9 35
73 A 79 TRP W H H X TS+ 0 0 -66.3 -43.9 -179.1 41.6 114.9 24.7 69 -2.1 77 -1.2 0 0.0 0 0.0 9 41
74 A 80 LEU L H H < >TS+ 0 0 -74.8 -37.5 179.4 46.9 116.7 29.5 70 -2.8 79 -2.6 0 0.0 0 0.0 14 47
75 A 81 LEU L H H < >5TS+ 0 0 -69.8 -44.4 -179.6 51.9 110.6 22.2 71 -2.6 78 -2.0 0 0.0 0 0.0 10 34
76 A 82 THR T H H < 35TS+ 0 0 -60.5 -33.6 178.7 46.5 112.7 31.2 72 -2.1 0 0.0 0 0.0 0 0.0 7 30
77 A 83 ASN N T h < 35TS- 0 0 -90.6 10.0 178.9 -125.9 111.8 72.5 73 -1.2 0 0.0 0 0.0 0 0.0 6 36
78 A 84 GLY G T h > <5T + 0 0 52.5 33.2 -178.9 148.8 57.4 41.0 75 -2.0 82 -2.3 0 0.0 0 0.0 8 33
79 A 85 VAL V H H > TS+ 0 0 -59.2 -40.1 179.8 43.1 116.2 23.0 0 0.0 84 -1.2 0 0.0 0 0.0 12 43
81 A 87 GLU E H H > TS+ 0 0 -71.6 -41.1 179.5 51.9 112.3 25.0 0 0.0 85 -1.6 0 0.0 0 0.0 7 37
82 A 88 ARG R H H X TS+ 0 0 -63.1 -32.9 179.3 58.6 105.0 30.3 78 -2.3 86 -3.1 0 0.0 0 0.0 9 33
83 A 89 ALA A H H X TS+ 0 0 -62.1 -39.9 179.1 52.1 102.7 26.9 79 -2.3 87 -2.4 0 0.0 0 0.0 13 41
84 A 90 GLN Q H H X TS+ 0 0 -62.2 -39.9 179.6 47.3 111.9 25.8 80 -1.2 88 -2.0 0 0.0 0 0.0 11 35
85 A 91 GLN Q H H X TS+ 0 0 -66.4 -51.0 179.1 48.5 111.4 17.8 81 -1.6 89 -2.3 0 0.0 0 0.0 8 29
86 A 92 TRP W H H < TS+ 0 0 -57.4 -38.0 179.5 53.7 110.3 29.2 82 -3.1 0 0.0 0 0.0 0 0.0 10 33
87 A 93 TYR Y H H < > TS+ 0 0 -62.4 -48.4 179.6 44.8 110.5 19.5 83 -2.4 90 -1.4 0 0.0 0 0.0 11 37
88 A 94 ALA A H H < 3 TS+ 0 0 -64.5 -30.8 -179.3 58.0 109.9 32.9 84 -2.0 0 0.0 0 0.0 0 0.0 6 27
89 A 95 GLN Q T h < 3 TS+ 0 0 -78.8 -3.3 179.7 110.3 83.7 60.9 85 -2.3 0 0.0 0 0.0 0 0.0 6 24
90 A 96 GLN Q S t < TS- 0 0 -69.9 156.2 177.4 -99.8 81.0 108.7 87 -1.4 0 0.0 0 0.0 0 0.0 8 27
91 A 97 SER S h > T - 0 0 -71.5 151.6 -179.9 -113.2 35.1 116.8 0 0.0 95 -2.7 0 0.0 0 0.0 6 20
92 A 98 PRO P H H > TS+ 0 0 -52.7 -45.7 -179.6 51.8 115.0 25.4 0 0.0 96 -1.6 0 0.0 0 0.0 6 19
93 A 99 ASP D H H > TS+ 0 0 -58.3 -51.9 -178.9 40.2 114.6 19.6 0 0.0 97 -0.8 0 0.0 0 0.0 6 21
94 A 100 PHE F H H > TS+ 0 0 -69.9 -34.0 178.8 58.5 109.5 32.3 0 0.0 98 -2.1 0 0.0 0 0.0 8 28
95 A 101 ARG R H H X TS+ 0 0 -63.2 -31.4 179.0 56.2 102.7 31.4 91 -2.7 99 -2.3 0 0.0 0 0.0 11 33
96 A 102 ALA A H H X TS+ 0 0 -68.2 -29.9 179.4 50.4 106.1 35.2 92 -1.6 100 -1.7 0 0.0 0 0.0 9 34
97 A 103 ASN N H H X TS+ 0 0 -74.4 -39.9 179.0 48.4 110.4 25.7 93 -0.8 101 -2.1 0 0.0 0 0.0 12 38
98 A 104 LEU L H H X TS+ 0 0 -65.8 -38.8 179.4 50.1 111.7 27.2 94 -2.1 102 -2.3 0 0.0 0 0.0 12 47
99 A 105 ASP D H H X TS+ 0 0 -65.2 -39.6 -179.9 49.4 110.9 26.8 95 -2.3 103 -2.2 0 0.0 0 0.0 10 44
100 A 106 ALA A H H X TS+ 0 0 -66.2 -38.1 179.9 52.1 109.5 29.8 96 -1.7 104 -2.0 0 0.0 0 0.0 14 45
101 A 107 PHE F H H X TS+ 0 0 -63.5 -49.4 179.4 44.7 111.9 20.3 97 -2.1 105 -1.7 0 0.0 0 0.0 16 51
102 A 108 ALA A H H X TS+ 0 0 -62.5 -38.1 179.2 54.0 111.9 28.9 98 -2.3 106 -2.1 0 0.0 0 0.0 14 51
103 A 109 ALA A H H X TS+ 0 0 -64.4 -36.2 179.5 55.0 104.6 31.0 99 -2.2 107 -2.5 0 0.0 0 0.0 12 45
104 A 110 GLY G H H X TS+ 0 0 -63.8 -40.5 179.2 48.3 108.2 26.1 100 -2.0 108 -1.9 0 0.0 0 0.0 15 50
105 A 111 ILE I H H X TS+ 0 0 -66.1 -41.4 -179.8 47.3 113.0 27.7 101 -1.7 109 -1.8 0 0.0 0 0.0 16 55
106 A 112 ASN N H H X TS+ 0 0 -67.9 -40.2 -179.8 52.9 110.3 26.3 102 -2.1 110 -2.2 0 0.0 0 0.0 12 51
107 A 113 ALA A H H X TS+ 0 0 -63.1 -41.4 179.6 50.8 107.6 27.0 103 -2.5 111 -2.5 0 0.0 0 0.0 9 39
108 A 114 TYR Y H H X TS+ 0 0 -62.2 -46.5 179.9 46.3 112.4 19.6 104 -1.9 112 -1.9 0 0.0 0 0.0 12 43
109 A 115 ALA A H H < TS+ 0 0 -62.2 -37.1 180.0 52.6 112.2 30.5 105 -1.8 0 0.0 0 0.0 0 0.0 11 43
110 A 116 GLN Q H H < TS+ 0 0 -64.6 -46.0 -179.1 37.5 116.3 23.1 106 -2.2 0 0.0 0 0.0 0 0.0 7 32
111 A 117 GLN Q H H < TS+ 0 0 -81.2 -18.1 -178.9 34.7 128.5 49.1 107 -2.5 0 0.0 0 0.0 0 0.0 6 23
112 A 118 ASN N h < > T + 0 0 -135.5 58.8 -179.6 155.2 63.4 113.7 108 -1.9 115 -1.7 0 0.0 0 0.0 8 29
113 A 119 PRO P G G > TS+ 0 0 -58.8 -23.8 -179.5 65.1 71.5 41.2 0 0.0 116 -1.1 0 0.0 0 0.0 8 29
114 A 120 ASP D G G 3 TS+ 0 0 -72.6 -19.7 -179.8 59.1 94.9 41.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
115 A 121 ASP D G G < TS+ 0 0 -85.1 -3.9 -179.0 89.5 88.1 59.7 112 -1.7 117 -0.6 0 0.0 0 0.0 7 31
116 A 122 ILE I S g < TS- 0 0 -101.4 116.4 179.9 -121.6 83.0 148.0 113 -1.1 0 0.0 0 0.0 0 0.0 11 36
117 A 123 SER S g > > T - 0 0 -54.0 133.9 -180.0 -122.9 21.1 102.9 115 -0.6 120 -1.7 0 0.0 121 -0.7 8 31
118 A 124 PRO P G G 4 > TS+ 0 0 -45.2 -46.6 -179.1 59.8 107.1 31.6 0 0.0 121 -1.1 0 0.0 0 0.0 6 24
119 A 125 GLU E G G 4 3 TS+ 0 0 -60.1 -25.3 -179.2 40.7 109.9 43.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
120 A 126 VAL V G G > X TS+ 0 0 -105.8 2.1 179.9 91.9 86.1 64.0 117 -1.7 123 -1.6 0 0.0 124 -0.5 11 41
121 A 127 ARG R G G < X TS+ 0 0 -62.7 -32.0 -179.6 65.7 78.3 33.1 118 -1.1 124 -1.0 117 -0.7 0 0.0 8 38
122 A 128 GLN Q G G 4 3 TS+ 0 0 -66.7 -10.0 179.9 67.5 90.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
123 A 129 VAL V G G 4 < TS+ 0 0 -78.7 -34.1 -179.1 133.3 84.1 34.6 120 -1.6 0 0.0 0 0.0 0 0.0 10 46
124 A 130 LEU L g < < T + 0 0 -67.6 148.6 -0.4 48.5 39.8 107.7 121 -1.0 0 0.0 120 -0.5 0 0.0 8 49
125 A 131 PRO P S S S- 0 0 -84.9 158.3 178.5 -162.8 74.9 51.9 0 0.0 0 0.0 0 0.0 0 0.0 5 43
126 A 132 VAL V - 0 0 -98.2 161.8 -179.1 -152.5 5.0 129.5 0 0.0 0 0.0 0 0.0 0 0.0 13 53
127 A 133 SER S h > > T - 0 0 -130.3 168.8 178.9 -101.2 33.3 146.3 0 0.0 131 -1.6 0 0.0 130 -0.9 9 52
128 A 134 GLY G H H > 3 TS+ 0 0 -55.4 -36.4 -179.7 56.9 123.0 29.8 0 0.0 132 -1.7 0 0.0 0 0.0 13 53
129 A 135 ALA A H H > 3 TS+ 0 0 -66.0 -31.5 178.3 56.1 100.8 36.0 0 0.0 133 -2.4 0 0.0 0 0.0 11 50
130 A 136 ASP D H H > < TS+ 0 0 -66.3 -39.5 -180.0 51.8 105.9 26.2 127 -0.9 134 -2.2 0 0.0 0 0.0 12 55
131 A 137 VAL V H H X TS+ 0 0 -63.1 -41.4 179.2 46.4 111.7 25.1 127 -1.6 135 -1.8 0 0.0 0 0.0 12 59
132 A 138 VAL V H H X TS+ 0 0 -67.8 -39.2 -179.4 55.8 109.2 27.4 128 -1.7 136 -2.5 0 0.0 0 0.0 12 49
133 A 139 ALA A H H X TS+ 0 0 -61.0 -46.2 179.8 46.5 108.1 23.9 129 -2.4 137 -2.6 0 0.0 0 0.0 16 52
134 A 140 HIS H H H X TS+ 0 0 -62.7 -47.2 179.7 47.9 113.7 20.0 130 -2.2 138 -3.1 0 0.0 0 0.0 11 50
135 A 141 ALA A H H < TS+ 0 0 -60.4 -38.9 179.7 50.3 112.7 26.6 131 -1.8 0 0.0 0 0.0 0 0.0 7 42
136 A 142 HIS H H H < TS+ 0 0 -66.6 -40.6 179.0 46.8 112.2 24.8 132 -2.5 140 -0.9 0 0.0 0 0.0 10 43
137 A 143 ARG R H H < T 0 0 -65.1 -46.2 -178.8 999.9 999.9 19.9 133 -2.6 140 -1.2 0 0.0 0 0.0 11 46
138!A 144 LEU L h < T 0 0 -61.2 999.9 999.9 999.9 999.9 24.0 134 -3.1 142 -2.1 0 0.0 0 0.0 8 35
139!A 146 ASN N t >T 0 0 999.9 -33.8 -177.7 999.9 999.9 999.9 0 0.0 144 -2.6 0 0.0 0 0.0 8 30
140 A 147 PHE F T T 5T + 0 0 -114.1 24.7 175.9 26.4 999.9 81.7 137 -1.2 0 0.0 136 -0.9 0 0.0 11 38
141 A 148 LEU L T T 5TS+ 0 0 -139.5 -58.9 178.9 29.3 131.6 70.0 0 0.0 0 0.0 0 0.0 0 0.0 9 27
142 A 149 TYR Y T T 5TS+ 0 0 -72.4 -63.3 -178.7 22.7 134.7 7.0 138 -2.1 0 0.0 0 0.0 0 0.0 7 16
143 A 150 VAL V T T 5TS+ 0 0 -70.0 -65.0 -179.5 23.3 135.6 6.0 0 0.0 145 -0.8 0 0.0 0 0.0 6 19
144 A 151 ALA A S t T - 0 0 -83.8 149.1 179.7 -126.2 32.7 121.7 143 -0.8 149 -1.4 0 0.0 0 0.0 9 25
146 A 153 PRO P H H > TS+ 0 0 -62.4 -29.9 179.9 63.4 108.2 31.4 0 0.0 150 -3.0 0 0.0 0 0.0 10 27
147 A 154 GLY G H H > TS+ 0 0 -60.0 -47.0 -179.5 46.3 102.1 22.8 0 0.0 151 -2.4 0 0.0 0 0.0 6 18
148 A 155 ARG R H H 4 TS+ 0 0 -67.4 -32.5 179.7 41.1 118.7 34.0 0 0.0 0 0.0 0 0.0 0 0.0 7 14
149 A 156 THR T H H < TS+ 0 0 -80.2 -47.9 -179.1 33.6 125.5 21.5 145 -1.4 0 0.0 0 0.0 0 0.0 7 19
150 A 157 LEU L H H < T 0 0 -78.7 -26.3 -179.7 999.9 999.9 40.0 146 -3.0 0 0.0 0 0.0 0 0.0 5 16
151 A 158 GLY G h < T 0 0 102.3 999.9 999.9 999.9 999.9 116.2 147 -2.4 0 0.0 0 0.0 0 0.0 5 9
1fm2A.pdb
1FM2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S EEEE TTS EEEE SSHHHHHHHHHHHHHHHHHHHHHHHHHHHTT HHHHH GGGHHHHHHHHHTTHHHHHHHHHHTS HHHHHHHHH Kabs/Sand
chirality --------+-+-----+-+----+-+-+++++++++++++++++++++++++++-++++++--++++++++++++-++++++++++++--+++++++++ chirality
bends S SSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSS SSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555<>5555< >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAAA AAAA bridge-1
sheets AAAA AAAA sheets
4-turns >>>>XXXXXXXXXX<>XXXXX<<<< >>>4<<<>4>>X>XXX<<<<>>>>XXXX<<<< >>>>XXXXXX 4-turns
summary S EEEEeTTteEEEE ShHHHHHHHHHHHHHHHHHHHHHHHHHHHhThHHHHHhTThHHHHHHHHHhhHHHHHHHHHHhthHHHHHHHHH summary
sequence QAPIAAYKPRSNEILWDGYGVPHIYGVDAPSAFYGYGWAQARSHGDNILRLYGEARGKGAEYWGPDYEQTTVWLLTNGVPERAQQWYAQQSPDFRANLDA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHH GGGS GGGGGG S HHHHHHHHHH TTTTS HHHHH Kabs/Sand
chirality +++++++++++++++--+++++++---+++++++++ ++++--++++ chirality
bends SSSSSSSSSSS SSSS SSSSSS S SSSSSSSSS SSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<<>>3XX3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXX<<<< >44><44< >>>>XXXX<<<< >>>4<<< 4-turns
summary HHHHHHHHHHHhGGGggGGGGGGgS hHHHHHHHHHHhtTTTTthHHHHHh summary
sequence FAAGINAYAQQNPDDISPEVRQVLPVSGADVVAHAHRLNFLYVASPGRTLG sequence
110 120 130 140 150
Messages
chain break between 138(A 144 ) and 139(A 146 )