Secondary structure calculation program - copyright by David Keith Smith, 1989
3bamA.pdb
3BAM HYDROLASE/DNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 206
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 0 999.9 161.9 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 13 48
2 A 2 GLU E E E AA - 180 0 -140.8 148.5 179.2 -114.2 999.9 169.6 180 -2.1 180 -2.8 0 0.0 4 -0.5 9 44
3 A 3 VAL V E E AA + 179 0 -83.8 122.5 -179.4 162.5 39.5 138.5 0 0.0 0 0.0 0 0.0 0 0.0 12 45
4 A 4 GLU E E E A* + 0 0 -109.6 -37.7 -179.5 30.0 59.9 41.3 178 -3.0 0 0.0 2 -0.5 0 0.0 9 34
5 A 5 LYS K E E AA + 178 0 -126.4 154.0 -178.8 174.2 61.7 157.9 178 -2.1 178 -3.0 0 0.0 0 0.0 9 37
6 A 6 GLU E E E AA - 177 0 -162.5 138.2 177.0 -167.7 17.1 166.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
7 A 7 PHE F E E AA - 176 0 -128.6 122.8 -178.9 -176.5 11.8 172.4 176 -2.8 176 -3.0 0 0.0 0 0.0 7 45
8 A 8 ILE I E E AA - 175 0 -122.6 119.0 179.3 -132.6 22.4 169.2 0 0.0 0 0.0 0 0.0 0 0.0 10 44
9 A 9 THR T h > T - 0 0 -63.6 161.3 179.9 -107.1 29.7 105.9 174 -2.7 13 -2.4 0 0.0 0 0.0 13 37
10 A 10 ASP D H H > TS+ 0 0 -60.9 -31.6 179.6 54.9 120.6 32.2 0 0.0 14 -2.1 0 0.0 0 0.0 8 29
11 A 11 GLU E H H > TS+ 0 0 -67.4 -46.0 178.7 45.5 109.9 19.3 0 0.0 15 -2.0 0 0.0 0 0.0 10 36
12 A 12 ALA A H H > TS+ 0 0 -63.9 -36.4 178.9 58.4 108.9 29.5 0 0.0 16 -3.0 0 0.0 0 0.0 13 46
13 A 13 LYS K H H X TS+ 0 0 -58.3 -49.3 179.3 48.1 105.7 20.3 9 -2.4 17 -2.5 0 0.0 0 0.0 10 34
14 A 14 GLU E H H X TS+ 0 0 -57.8 -47.1 179.2 49.6 112.1 22.4 10 -2.1 18 -2.7 0 0.0 0 0.0 9 27
15 A 15 LEU L H H X TS+ 0 0 -56.4 -52.9 -179.5 47.5 112.4 15.9 11 -2.0 19 -2.9 0 0.0 0 0.0 11 35
16 A 16 LEU L H H < TS+ 0 0 -57.7 -40.8 -179.6 44.2 115.8 31.5 12 -3.0 0 0.0 0 0.0 0 0.0 11 37
17 A 17 SER S H H < TS+ 0 0 -74.6 -34.5 -177.6 23.3 129.0 31.4 13 -2.5 0 0.0 0 0.0 0 0.0 7 23
18 A 18 LYS K H H < TS+ 0 0 -101.1 -39.3 -176.8 75.5 105.6 34.8 14 -2.7 20 -0.6 0 0.0 0 0.0 6 21
19 A 19 ASP D h X T - 0 0 -90.5 122.8 179.6 -162.7 52.6 135.0 15 -2.9 23 -1.9 0 0.0 0 0.0 9 31
20 A 20 LYS K H H > TS+ 0 0 -63.3 -47.2 -180.0 52.7 91.2 24.8 18 -0.6 24 -2.6 0 0.0 0 0.0 7 29
21 A 21 LEU L H H > TS+ 0 0 -57.6 -46.1 179.0 48.0 110.0 24.4 0 0.0 25 -2.6 0 0.0 0 0.0 10 37
22 A 22 ILE I H H > TS+ 0 0 -61.9 -42.0 178.4 53.6 109.9 24.9 0 0.0 26 -3.2 0 0.0 0 0.0 11 45
23 A 23 GLN Q H H X TS+ 0 0 -57.3 -49.6 178.1 47.7 109.6 17.4 19 -1.9 27 -3.0 0 0.0 0 0.0 11 39
24 A 24 GLN Q H H X TS+ 0 0 -56.5 -48.4 179.2 47.7 113.7 21.9 20 -2.6 28 -2.8 0 0.0 0 0.0 8 39
25 A 25 ALA A H H X TS+ 0 0 -56.7 -53.5 179.6 47.5 112.7 18.7 21 -2.6 29 -2.6 0 0.0 0 0.0 10 54
26 A 26 TYR Y H H X TS+ 0 0 -54.0 -47.1 179.0 51.9 111.8 22.6 22 -3.2 30 -2.4 0 0.0 0 0.0 9 56
27 A 27 ASN N H H X TS+ 0 0 -56.7 -49.3 179.6 48.7 110.3 19.5 23 -3.0 31 -2.4 0 0.0 0 0.0 8 40
28 A 28 GLU E H H X TS+ 0 0 -60.1 -45.8 179.8 48.0 111.1 26.8 24 -2.8 32 -2.3 0 0.0 0 0.0 10 49
29 A 29 VAL V H H X TS+ 0 0 -65.2 -37.6 179.0 52.1 111.3 27.4 25 -2.6 33 -2.8 0 0.0 0 0.0 9 61
30 A 30 LYS K H H X TS+ 0 0 -65.5 -45.4 178.0 46.3 109.9 20.4 26 -2.4 34 -1.8 0 0.0 0 0.0 9 52
31 A 31 THR T H H X TS+ 0 0 -62.2 -39.3 179.4 51.5 114.4 19.8 27 -2.4 35 -1.4 0 0.0 0 0.0 8 42
32 A 32 SER S H H < TS+ 0 0 -63.4 -44.1 -179.8 48.5 108.2 25.5 28 -2.3 0 0.0 0 0.0 0 0.0 13 52
33 A 33 ILE I H H < TS+ 0 0 -67.7 -27.5 178.3 51.8 111.1 36.1 29 -2.8 0 0.0 0 0.0 0 0.0 13 57
34 A 34 CYS C H H < TS+ 0 0 -77.5 -21.1 -179.6 80.3 94.6 39.6 30 -1.8 0 0.0 0 0.0 0 0.0 11 45
35 A 35 SER S h < T + 0 0 -53.4 -54.6 -179.7 98.2 60.9 33.9 31 -1.4 0 0.0 0 0.0 0 0.0 10 45
36 A 36 PRO P - 0 0 -47.4 125.4 -179.5 -178.1 53.0 99.5 0 0.0 0 0.0 0 0.0 0 0.0 14 47
37 A 37 ILE I - 0 0 -122.4 164.8 -179.7 -119.5 15.9 142.9 0 0.0 0 0.0 0 0.0 0 0.0 12 44
38 A 38 TRP W B B a S+ 45 0 -163.6 131.0 -0.7 22.7 83.7 152.3 44 -2.8 46 -1.9 0 0.0 0 0.0 11 44
39 A 39 PRO P S t > TS- 0 0 -72.9 -177.8 179.7 -119.0 86.4 53.4 0 0.0 42 -2.3 0 0.0 0 0.0 8 36
40 A 40 ALA A T T 3 TS+ 0 0 -54.1 -40.7 -179.4 59.5 113.1 30.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
41 A 41 THR T T T 3 TS+ 0 0 -70.8 1.4 -179.2 86.3 96.6 64.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
42 A 42 SER S t < T - 0 0 -104.1 168.8 179.0 -147.2 66.8 123.6 39 -2.3 0 0.0 0 0.0 0 0.0 8 27
43 A 43 LYS K S S S+ 0 0 -106.5 -6.4 -179.7 43.5 87.7 65.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
44 A 44 THR T S S S- 0 0 -129.3 178.7 178.6 -100.4 89.6 133.4 0 0.0 38 -2.8 0 0.0 46 -0.6 10 32
45 A 45 PHE F B e a + 38 0 -110.4 118.8 179.1 179.3 34.2 160.6 0 0.0 182 -2.1 0 0.0 183 -1.5 13 49
46 A 46 THR T E E Bb - 183 0 -120.3 117.0 -179.8 -151.4 14.8 166.8 38 -1.9 0 0.0 44 -0.6 0 0.0 12 44
47 A 47 ILE I E E Bb - 184 0 -91.3 134.9 178.8 -118.2 21.1 134.0 183 -2.5 185 -1.9 0 0.0 0 0.0 12 51
48 A 48 ASN N E E Bb - 185 0 -70.6 121.0 -177.9 -173.7 29.1 129.2 0 0.0 0 0.0 0 0.0 0 0.0 14 42
49 A 49 ASN N e + 0 0 -110.2 34.0 -178.3 118.7 43.9 94.4 185 -1.3 0 0.0 0 0.0 0 0.0 10 36
50 A 50 THR T S S S+ 0 0 -68.9 -32.7 -177.4 1.8 83.7 30.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
51 A 51 GLU E S t > TS- 0 0 -155.4 151.8 178.8 -86.7 85.3 173.2 0 0.0 54 -1.6 0 0.0 0 0.0 6 26
52 A 52 LYS K T T 3 TS+ 0 0 -60.3 136.3 -179.8 2.7 113.1 111.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
53 A 53 ASN N T T 3 TS+ 0 0 56.9 28.2 -178.3 137.8 89.0 43.5 150 -2.8 0 0.0 0 0.0 0 0.0 11 37
54 A 54 CYS C t < T + 0 0 -78.3 -16.7 -179.5 73.1 49.0 49.7 51 -1.6 0 0.0 0 0.0 0 0.0 13 36
55 A 55 ASN N B B b S- 152 0 -106.0 139.5 176.1 -138.3 70.6 146.1 151 -2.2 153 -1.0 0 0.0 0 0.0 12 47
56 A 56 GLY G - 0 0 -75.3 179.8 -177.8 -142.3 14.4 102.6 191 -2.8 0 0.0 0 0.0 0 0.0 12 46
57 A 57 VAL V g > T + 0 0 -123.1 -19.4 -176.5 94.9 69.1 48.2 0 0.0 60 -1.3 0 0.0 0 0.0 11 57
58 A 58 VAL V G G > TS+ 0 0 -43.6 -58.2 -179.6 50.3 84.2 32.7 0 0.0 61 -1.1 0 0.0 0 0.0 7 38
59 A 59 PRO P G G > TS+ 0 0 -56.3 -25.8 -177.2 84.4 90.1 39.9 0 0.0 62 -1.4 0 0.0 0 0.0 7 38
60 A 60 ILE I G G < TS+ 0 0 -50.8 -39.8 -177.8 45.0 89.5 37.0 57 -1.3 0 0.0 0 0.0 0 0.0 8 56
61 A 61 LYS K G h > < TS+ 0 0 -86.3 -8.3 -178.4 92.6 85.9 51.1 58 -1.1 65 -2.7 0 0.0 0 0.0 9 51
62 A 62 GLU E H H > < TS+ 0 0 -48.7 -60.5 -179.9 40.4 90.2 23.2 59 -1.4 66 -2.8 0 0.0 0 0.0 8 40
63 A 63 LEU L H H > TS+ 0 0 -59.6 -36.7 179.2 55.7 113.3 30.8 0 0.0 67 -2.2 0 0.0 0 0.0 11 43
64 A 64 CYS C H H > TS+ 0 0 -60.3 -50.3 179.9 41.5 113.0 16.5 0 0.0 68 -2.0 0 0.0 0 0.0 13 58
65 A 65 TYR Y H H X TS+ 0 0 -62.6 -46.4 179.2 57.6 110.4 25.1 61 -2.7 69 -2.9 0 0.0 0 0.0 9 45
66 A 66 THR T H H X >TS+ 0 0 -48.9 -57.3 179.9 44.0 109.8 18.6 62 -2.8 70 -2.9 0 0.0 71 -0.6 9 32
67 A 67 LEU L H H X >TS+ 0 0 -54.2 -59.7 -179.7 48.9 114.1 17.4 63 -2.2 72 -2.4 0 0.0 71 -1.2 11 35
68 A 68 LEU L H H < 5TS+ 0 0 -47.9 -50.1 -179.2 37.4 120.4 27.0 64 -2.0 74 -2.8 0 0.0 0 0.0 13 43
69 A 69 GLU E H H X 5TS+ 0 0 -68.7 -59.8 -177.9 26.1 129.4 13.1 65 -2.9 73 -0.7 0 0.0 0 0.0 11 36
70 A 70 ASP D H H < 5TS+ 0 0 -73.0 -57.5 -178.4 29.8 133.0 15.2 66 -2.9 0 0.0 0 0.0 0 0.0 8 22
71 A 71 THR T T h < T - 0 0 -83.2 140.9 179.9 -128.7 12.1 131.5 0 0.0 84 -3.2 0 0.0 0 0.0 11 46
81 A 81 ASP D H H > >TS+ 0 0 -54.1 -48.1 -179.9 57.7 105.9 28.3 0 0.0 86 -2.5 0 0.0 85 -1.5 8 30
82 A 82 ILE I H H 4 >TS+ 0 0 -53.8 -36.5 -179.4 33.3 118.6 26.4 0 0.0 87 -3.5 0 0.0 0 0.0 11 27
83 A 83 LEU L H H 4 5TS+ 0 0 -86.4 -46.7 -179.2 32.9 128.9 23.5 0 0.0 89 -2.2 0 0.0 0 0.0 12 30
84 A 84 LYS K H H < 5TS+ 0 0 -75.4 -50.7 -177.1 20.5 134.3 17.5 80 -3.2 0 0.0 0 0.0 0 0.0 12 22
85 A 85 LEU L T h < 5TS+ 0 0 -87.2 -54.3 -177.7 31.4 130.8 22.1 81 -1.5 0 0.0 0 0.0 0 0.0 8 18
86 A 86 GLU E T T T - 0 104 -142.1 79.0 -176.7 -91.7 68.1 143.7 104 -2.2 104 -2.0 0 0.0 0 0.0 7 17
102 A 102 ASN N T T 3 TS+ 0 0 -4.5 117.6 -177.2 18.8 113.9 63.1 0 0.0 0 0.0 0 0.0 0 0.0 5 12
103 A 103 SER S T T 3 TS+ 0 0 98.5 -28.5 178.5 78.5 119.2 99.0 0 0.0 0 0.0 0 0.0 0 0.0 5 12
104 A 104 GLU E E E AD < T + 101 0 -112.8 129.5 178.2 179.2 58.7 159.5 101 -2.0 101 -2.2 0 0.0 0 0.0 6 22
105 A 105 LEU L E E AD - 100 0 -130.1 132.4 178.0 -175.4 4.9 173.4 0 0.0 0 0.0 0 0.0 0 0.0 9 26
106 A 106 LYS K E E AD - 99 0 -129.5 123.8 179.9 -164.6 6.1 176.2 99 -2.6 99 -3.5 0 0.0 0 0.0 11 40
107 A 107 ARG R E E AD - 98 0 -111.3 126.0 -179.4 -165.3 7.0 162.8 0 0.0 137 -3.4 0 0.0 138 -0.7 12 56
108 A 108 VAL V E E ADe - 97 138 -115.6 132.3 178.6 -166.1 3.1 160.4 97 -2.7 97 -1.8 0 0.0 0 0.0 14 67
109 A 109 GLY G E E ADe - 96 139 -114.3 142.9 -178.9 -176.3 11.6 160.0 138 -2.5 140 -1.5 0 0.0 0 0.0 15 65
110 A 110 MET M E E ADe - 95 140 -144.1 149.6 179.2 -157.0 17.9 172.2 95 -3.0 95 -2.1 0 0.0 0 0.0 13 70
111 A 111 GLU E E E A e - 0 141 -127.3 121.1 177.5 -150.6 10.9 171.1 140 -2.5 142 -2.4 0 0.0 113 -0.7 11 69
112 A 112 PHE F E E A e - 0 142 -87.4 120.7 -176.9 -153.6 25.1 149.4 0 0.0 114 -0.7 0 0.0 0 0.0 9 72
113 A 113 GLU E e + 0 0 -110.6 105.0 177.0 127.4 47.7 147.3 142 -3.5 0 0.0 111 -0.7 0 0.0 12 62
114 A 114 THR T + 0 0 -129.5 8.4 178.4 100.5 52.0 80.0 112 -0.7 0 0.0 0 0.0 0 0.0 10 60
115 A 115 GLY G S S S- 0 0 -82.6 -176.3 178.5 -53.6 92.0 101.7 0 0.0 157 -3.0 0 0.0 0 0.0 9 44
116 A 116 ASN N B h > C > T - 156 0 -55.9 149.1 178.9 -108.7 57.4 102.5 0 0.0 120 -1.0 0 0.0 119 -1.0 9 39
117 A 117 ILE I H H > > TS+ 0 0 -50.5 -35.4 178.9 59.1 121.0 31.7 155 -2.6 121 -0.8 0 0.0 120 -0.7 12 40
118 A 118 SER S H H > > TS+ 0 0 -62.5 -36.4 179.6 58.0 98.8 26.2 0 0.0 122 -1.1 0 0.0 121 -1.1 8 31
119 A 119 SER S H H > < TS+ 0 0 -63.8 -28.6 178.1 64.7 95.1 36.6 116 -1.0 123 -2.5 0 0.0 0 0.0 10 35
120 A 120 ALA A H H X < TS+ 0 0 -63.0 -31.3 179.0 55.7 98.0 33.9 116 -1.0 124 -2.7 117 -0.7 0 0.0 12 48
121 A 121 HIS H H H X < TS+ 0 0 -68.3 -40.4 178.1 48.5 106.7 25.9 118 -1.1 125 -2.2 117 -0.8 0 0.0 9 42
122 A 122 ARG R H H X TS+ 0 0 -64.0 -46.3 179.0 48.9 112.7 16.9 118 -1.1 126 -2.4 0 0.0 0 0.0 8 40
123 A 123 SER S H H X TS+ 0 0 -58.2 -49.2 179.5 48.0 111.7 20.9 119 -2.5 127 -2.5 0 0.0 0 0.0 11 54
124 A 124 MET M H H X TS+ 0 0 -60.1 -39.6 179.4 48.6 113.3 27.9 120 -2.7 128 -1.8 0 0.0 0 0.0 9 61
125 A 125 ASN N H H X TS+ 0 0 -68.8 -38.0 178.3 51.0 109.9 32.4 121 -2.2 129 -2.1 0 0.0 0 0.0 8 49
126 A 126 LYS K H H X TS+ 0 0 -64.9 -46.8 177.1 47.7 111.0 21.8 122 -2.4 130 -2.4 0 0.0 0 0.0 9 54
127 A 127 LEU L H H X TS+ 0 0 -60.2 -37.2 178.2 55.6 110.0 26.3 123 -2.5 131 -2.7 0 0.0 0 0.0 12 58
128 A 128 LEU L H H X TS+ 0 0 -62.6 -40.6 177.7 49.6 106.0 26.1 124 -1.8 132 -3.1 0 0.0 0 0.0 11 50
129 A 129 LEU L H H X TS+ 0 0 -63.3 -46.0 179.2 50.1 111.0 20.5 125 -2.1 133 -2.3 0 0.0 0 0.0 9 46
130 A 130 GLY G H H < >TS+ 0 0 -56.2 -49.4 179.5 44.4 114.1 21.0 126 -2.4 135 -3.0 0 0.0 136 -0.7 12 51
131 A 131 LEU L H H < >5TS+ 0 0 -58.6 -53.8 -179.5 50.0 113.4 14.8 127 -2.7 134 -2.3 0 0.0 0 0.0 13 44
132 A 132 LYS K H H < 35TS+ 0 0 -56.0 -33.4 179.6 48.5 112.6 37.8 128 -3.1 0 0.0 0 0.0 0 0.0 7 30
133 A 133 HIS H T h < 35TS- 0 0 -96.7 22.0 179.1 -116.5 114.0 82.3 129 -2.3 0 0.0 0 0.0 0 0.0 8 30
134 A 134 GLY G T T <5TS+ 0 0 50.1 34.3 179.3 124.3 79.5 39.6 131 -2.3 0 0.0 0 0.0 0 0.0 7 30
135 A 135 GLU E S t T - 0 0 -87.4 164.3 -178.4 -101.8 33.6 125.5 179 -1.8 149 -2.9 0 0.0 0 0.0 14 52
146 A 146 LYS K H H > TS+ 0 0 -52.7 -43.7 -177.9 59.4 118.9 26.7 0 0.0 150 -2.2 0 0.0 0 0.0 9 45
147 A 147 GLN Q H H 4 TS+ 0 0 -55.6 -43.9 178.1 36.9 113.7 28.4 0 0.0 0 0.0 0 0.0 0 0.0 7 43
148 A 148 LEU L H H 4 > TS+ 0 0 -73.0 -47.1 -179.2 59.3 112.6 18.7 0 0.0 151 -2.3 0 0.0 0 0.0 11 54
149 A 149 ALA A H H < > TS+ 0 0 -53.2 -28.3 179.6 77.0 87.3 39.1 145 -2.9 152 -2.3 0 0.0 0 0.0 14 55
150 A 150 TYR Y T h < 3 TS+ 0 0 -54.8 -28.6 -179.5 41.8 99.5 37.8 146 -2.2 53 -2.8 0 0.0 0 0.0 10 42
151 A 151 TYR Y T T < TS+ 0 0 -104.1 11.3 179.2 80.0 104.9 74.6 148 -2.3 55 -2.2 0 0.0 0 0.0 14 46
152 A 152 LEU L B B b < TS- 55 0 -108.8 171.8 -179.2 -55.9 101.7 126.3 149 -2.3 0 0.0 0 0.0 0 0.0 13 52
153 A 153 THR T S t > TS- 0 0 -51.8 139.8 -178.0 -86.0 75.8 97.9 55 -1.0 156 -1.3 0 0.0 0 0.0 12 46
154 A 154 ASP D T T 3 TS+ 0 0 -54.3 135.0 177.4 10.7 105.7 100.4 0 0.0 0 0.0 0 0.0 0 0.0 7 39
155 A 155 ARG R T T 3 TS+ 0 0 75.1 13.5 177.7 151.1 81.7 57.0 0 0.0 117 -2.6 0 0.0 0 0.0 6 38
156 A 156 VAL V B B C < T - 116 0 -72.1 152.0 -179.2 -76.3 60.9 113.3 153 -1.3 0 0.0 0 0.0 0 0.0 11 50
157 A 157 THR T - 0 0 -50.0 135.6 176.7 -176.4 53.6 100.7 115 -3.0 0 0.0 0 0.0 0 0.0 17 51
158 A 158 ASN N h > > T - 0 0 -138.1 138.5 -178.4 -121.0 33.4 173.4 0 0.0 162 -1.3 0 0.0 161 -1.1 13 51
159 A 159 PHE F H H > 3 TS+ 0 0 -42.5 -50.2 -178.7 53.3 109.1 32.3 144 -2.4 163 -1.8 0 0.0 0 0.0 14 51
160 A 160 GLU E H H 4 3 TS+ 0 0 -62.0 -32.7 -179.0 52.1 106.8 37.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
161 A 161 GLU E H H 4 < TS+ 0 0 -77.9 -30.5 178.4 40.0 114.2 37.9 158 -1.1 0 0.0 0 0.0 0 0.0 8 41
162 A 162 LEU L H H < > TS+ 0 0 -86.8 -22.0 -179.2 87.9 96.5 43.4 158 -1.3 165 -2.5 0 0.0 0 0.0 12 47
163 A 163 GLU E G h < > TS+ 0 0 -44.4 -50.2 180.0 60.5 76.4 33.2 159 -1.8 166 -2.4 0 0.0 0 0.0 7 41
164 A 164 PRO P G G 3 TS+ 0 0 -56.7 -16.0 180.0 49.1 107.8 42.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
165 A 165 TYR Y G G X TS+ 0 0 -101.2 -1.2 -179.9 97.2 78.7 61.6 162 -2.5 168 -2.2 0 0.0 0 0.0 6 35
166 A 166 PHE F G G X TS+ 0 0 -55.3 -34.4 -179.4 70.2 73.1 31.2 163 -2.4 169 -2.0 0 0.0 0 0.0 8 45
167 A 167 GLU E G G > TS+ 0 0 -59.2 -16.1 178.7 77.2 78.5 48.3 0 0.0 170 -1.6 0 0.0 0 0.0 6 29
168 A 168 LEU L G G < TS+ 0 0 -72.5 -3.7 178.8 61.0 87.7 58.6 165 -2.2 0 0.0 0 0.0 0 0.0 5 35
169 A 169 THR T G G X TS+ 0 0 -104.8 12.4 179.4 145.6 73.4 77.6 166 -2.0 172 -2.1 0 0.0 0 0.0 10 41
170 A 170 GLU E T g < T + 0 0 -52.4 131.6 179.4 21.5 68.7 104.5 167 -1.6 0 0.0 0 0.0 0 0.0 7 32
171 A 171 GLY G T T 3 TS+ 0 0 88.4 0.6 179.9 96.5 106.8 62.9 0 0.0 0 0.0 0 0.0 0 0.0 7 33
172 A 172 GLN Q S t < TS- 0 0 -122.5 149.6 179.4 -106.9 85.0 153.1 169 -2.1 174 -1.1 0 0.0 0 0.0 11 43
173 A 173 PRO P e + 0 0 -75.9 101.7 -178.5 159.4 58.8 134.0 0 0.0 139 -2.3 0 0.0 0 0.0 15 53
174 A 174 PHE F E E A f - 0 139 -132.8 139.8 179.0 -171.1 25.8 169.0 172 -1.1 9 -2.7 0 0.0 0 0.0 12 61
175 A 175 ILE I E E AAf - 8 140 -129.8 129.0 178.2 -169.5 2.6 176.3 139 -2.2 141 -1.9 0 0.0 0 0.0 13 62
176 A 176 PHE F E E AAf - 7 141 -118.5 124.8 178.6 -172.4 9.6 170.2 7 -3.0 7 -2.8 0 0.0 0 0.0 12 63
177 A 177 ILE I E E AAf - 6 142 -126.3 131.9 -180.0 -155.5 12.6 167.3 141 -2.5 143 -2.2 0 0.0 179 -0.6 14 59
178 A 178 GLY G E E AAf - 5 143 -103.8 121.1 -179.6 -160.1 15.0 154.5 5 -3.0 4 -3.0 0 0.0 5 -2.1 14 54
179 A 179 PHE F E E AAf - 3 144 -100.1 156.7 -179.1 -169.5 6.4 129.2 143 -2.0 145 -1.8 177 -0.6 0 0.0 15 59
180 A 180 ASN N E E AA - 2 0 -139.7 161.0 178.7 -102.9 26.2 157.4 2 -2.8 2 -2.1 0 0.0 0 0.0 12 53
181 A 181 ALA A - 0 0 -79.5 164.6 179.4 -129.0 23.8 113.2 0 0.0 0 0.0 0 0.0 0 0.0 12 52
182 A 182 GLU E S S S+ 0 0 -84.1 -29.2 -179.6 9.9 87.5 40.4 45 -2.1 0 0.0 0 0.0 0 0.0 9 36
183 A 183 ALA A E E Bb - 46 0 -150.4 155.7 177.9 -150.0 54.3 171.1 45 -1.5 47 -2.5 0 0.0 0 0.0 7 35
184 A 184 TYR Y E E Bb + 47 0 -123.7 120.9 -176.4 115.0 52.5 177.1 0 0.0 0 0.0 0 0.0 0 0.0 9 39
185 A 185 ASN N E E Bb - 48 0 -160.6 -161.4 177.3 -46.1 62.5 138.7 47 -1.9 49 -1.3 0 0.0 0 0.0 9 31
186 A 186 SER S + 0 0 -79.1 166.1 -178.4 177.4 58.9 115.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
187 A 187 ASN N - 0 0 -166.3 166.7 174.9 -127.8 49.1 168.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28
188 A 188 VAL V S S S+ 0 0 -87.0 -39.9 179.8 40.3 100.1 40.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21
189 A 189 PRO P - 0 0 -107.4 179.6 179.0 -160.2 58.5 119.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
190 A 190 LEU L - 0 0 -149.5 133.8 -180.0 -96.8 47.5 158.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
191 A 191 ILE I - 0 0 -63.4 118.4 -179.6 -120.5 50.1 117.7 0 0.0 56 -2.8 0 0.0 0 0.0 10 44
192 A 192 PRO P - 0 0 -59.5 152.8 -180.0 -135.3 22.8 98.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
193 A 193 LYS K - 0 0 -113.0 153.2 176.7 -133.0 6.1 141.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
194 A 194 GLY G - 0 0 -89.8 -179.9 -179.8 -108.7 29.8 110.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
195 A 195 SER S + 0 0 -99.9 27.2 -179.1 148.2 66.0 89.4 0 0.0 0 0.0 0 0.0 0 0.0 9 20
196 A 196 ASP D t > T - 0 0 -61.3 159.0 178.0 -31.4 57.8 93.5 0 0.0 199 -2.4 0 0.0 0 0.0 7 24
197 A 197 GLY G T T 3 TS+ 0 0 36.4 -117.0 -178.7 3.0 130.8 84.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
198 A 198 MET M T T 3 TS+ 0 0 -85.2 12.3 176.8 134.4 90.1 75.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19
199 A 199 SER S t X T - 0 0 -57.6 145.8 179.6 -119.9 68.5 109.6 196 -2.4 202 -1.6 0 0.0 0 0.0 8 22
200 A 200 LYS K T T 3 TS+ 0 0 -64.4 -13.4 -179.4 59.8 113.4 48.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
201 A 201 ARG R T T 3 TS+ 0 0 -89.3 -17.0 -179.8 101.7 82.5 52.5 0 0.0 0 0.0 0 0.0 0 0.0 6 14
202 A 202 SER S S t < TS- 0 0 -69.9 147.9 179.7 -108.2 80.7 112.8 199 -1.6 204 -0.5 0 0.0 0 0.0 9 13
203 A 203 ILE I + 0 0 -83.0 121.6 179.9 177.9 38.2 132.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
204 A 204 LYS K - 0 0 -127.3 113.9 -178.7 -171.4 14.2 171.1 202 -0.5 0 0.0 0 0.0 0 0.0 4 11
205 A 205 LYS K 0 0 -79.8 -15.4 -177.4 999.9 999.9 54.2 0 0.0 0 0.0 0 0.0 0 0.0 3 9
206 A 206 TRP W 0 0 -79.1 999.9 999.9 999.9 999.9 67.7 0 0.0 0 0.0 0 0.0 0 0.0 2 7
3bamA.pdb
3BAM HYDROLASE/DNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEE HHHHHHHHH HHHHHHHHHHHHHHH BSTT SSBEEE SSTT B GGGGHHHHHHHHHTT EEEE HHHHTTS EEEEEEEE Kabs/Sand
chirality -+++----+++++++++-++++++++++++++++--+-++-+-+---++-+++--+++++++++++++++-+--+----++++++-++----+++---+ chirality
bends SSSSSSSSS SSSSSSSSSSSSSSS SSSS SS SSSS S SSSSSSSSSSSSSSS SS SSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >>555<< >>555<< 5-turns
3-turns >33< >33< >>><<< 3-turns
bridge-2 DDDDDD bridge-2
bridge-1 AA*AAAA a abbb b CC*C C*CC bridge-1
sheets AAAAAAA BBB AAAA AAAAAAAA sheets
4-turns >>>>XXX<<>>XXXXXXXXX<<<< >>>>XXX>44<< 4-turns
summary EEEEEEEhHHHHHHHHHhHHHHHHHHHHHHHHHh BtTTtSSeEEEeStTTtB gGGGhHHHHHHHHHhTt EEEE hHHHHhTt EEEEEEEE summary
sequence MEVEKEFITDEAKELLSKDKLIQQAYNEVKTSICSPIWPATSKTFTINNTEKNCNGVVPIKELCYTLLEDTYNWYREKPLDILKLEKKKGGPIDVYKEFI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand ETTEEEEEEEEE SBHHHHHHHHHHHHHHHHTTS SEEEEEEE HHHHTTBSTTB HHHHGGGGGGGTTS EEEEEEE SEEE S TT T Kabs/Sand
chirality -+++--------++--++++++++++++++++-++-+----+---++++++--++---+++++++++++++-+--------+-+-+-+------+-++-+ chirality
bends SS S SSSSSSSSSSSSSSSSSSS S SSSSSSSSSS SSSSSSSSSSS SS S S SS S bends
turns TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >33< >>3<<>33< >33<>>3XX>33X3 3-turns
bridge-2 D eeeee ffffff ffffff bridge-2
bridge-1 DDDDDDD C eeeee b C AAAAAA bbb bridge-1
sheets A AAAAAAAAA AAAAAAA AAAAAAA BBB sheets
4-turns >>>>XXXXXXXXXX<<<< >>44<< >>44<< 4-turns
summary ETTEEEEEEEEEe ShHHHHHHHHHHHHHHHHhTt SEEEEEEEhHHHHhTBtTTB hHHHHhGGGGGGgTteEEEEEEE SEEE S tTTtT summary
sequence ENSELKRVGMEFETGNISSAHRSMNKLLLGLKHGEIDLAIILMPIKQLAYYLTDRVTNFEELEPYFELTEGQPFIFIGFNAEAYNSNVPLIPKGSDGMSK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TS Kabs/Sand
chirality +-+- chirality
bends SS bends
turns TT turns
5-turns 5-turns
3-turns 3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary Tt summary
sequence RSIKKW sequence