Secondary structure calculation program - copyright by David Keith Smith, 1989
1e2tA.pdb
1E2T TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 274
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 HIS H 0 0 999.9 156.6 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
2 A 1 MET M - 0 0 -153.3 106.7 -179.7 -156.6 999.9 139.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
3 A 2 THR T h > T - 0 0 -74.5 160.7 -178.8 -100.7 39.2 105.3 0 0.0 7 -2.0 0 0.0 0 0.0 7 26
4 A 3 SER S H H > TS+ 0 0 -47.9 -45.5 -179.5 41.9 124.9 28.8 0 0.0 8 -1.1 0 0.0 0 0.0 6 27
5 A 4 PHE F H H > TS+ 0 0 -64.2 -64.4 -178.3 58.7 106.6 6.2 0 0.0 9 -1.7 0 0.0 0 0.0 8 37
6 A 5 LEU L H H > TS+ 0 0 -37.4 -31.3 -179.4 64.5 102.1 38.9 0 0.0 10 -2.1 0 0.0 0 0.0 11 44
7 A 6 HIS H H H X > TS+ 0 0 -60.4 -76.1 -178.9 34.6 105.1 8.7 3 -2.0 11 -2.2 0 0.0 10 -0.5 10 34
8 A 7 ALA A H H X 3 TS+ 0 0 -56.5 -12.5 178.9 67.1 112.5 51.1 4 -1.1 12 -2.0 0 0.0 0 0.0 10 41
9 A 8 TYR Y H H X 3 TS+ 0 0 -68.8 -58.6 179.4 37.9 106.0 10.6 5 -1.7 13 -2.2 0 0.0 0 0.0 10 56
10 A 9 PHE F H H < <>TS+ 0 0 -57.1 -41.1 177.7 58.2 114.4 28.6 6 -2.1 15 -2.0 7 -0.5 0 0.0 11 44
11 A 10 THR T H H < >5TS+ 0 0 -57.2 -44.3 -179.2 43.4 109.1 24.2 7 -2.2 14 -1.1 0 0.0 0 0.0 9 32
12 A 11 ARG R H H < 35TS+ 0 0 -72.1 -32.0 -179.6 56.9 109.5 29.5 8 -2.0 0 0.0 0 0.0 0 0.0 11 44
13 A 12 LEU L T h < 35TS- 0 0 -76.2 2.8 -177.9 -129.3 105.1 64.6 9 -2.2 0 0.0 0 0.0 0 0.0 11 48
14 A 13 HIS H T T <5T + 0 0 45.7 53.0 -176.8 128.2 69.6 18.2 11 -1.1 0 0.0 0 0.0 0 0.0 8 31
15 A 14 CYS C t T - 0 0 -135.2 162.3 179.7 -102.1 67.3 155.5 20 -1.1 26 -2.3 0 0.0 0 0.0 9 37
23 A 22 VAL V H H > TS+ 0 0 -51.7 -37.4 -177.8 52.5 123.3 29.4 0 0.0 27 -3.3 0 0.0 0 0.0 8 38
24 A 23 GLU E H H > TS+ 0 0 -67.7 -39.6 179.7 51.9 106.2 23.3 0 0.0 28 -2.1 0 0.0 0 0.0 6 36
25 A 24 ALA A H H > TS+ 0 0 -60.3 -43.1 179.8 45.7 113.6 22.4 0 0.0 29 -2.5 0 0.0 0 0.0 10 44
26 A 25 LEU L H H X TS+ 0 0 -62.4 -54.0 -178.4 60.2 106.3 12.0 22 -2.3 30 -2.7 0 0.0 0 0.0 12 55
27 A 26 ARG R H H X TS+ 0 0 -40.8 -46.4 -177.1 34.6 114.5 34.3 23 -3.3 31 -1.3 0 0.0 0 0.0 10 51
28 A 27 THR T H H X TS+ 0 0 -81.5 -46.0 178.9 54.5 112.5 24.1 24 -2.1 32 -3.3 0 0.0 0 0.0 9 47
29 A 28 LEU L H H X TS+ 0 0 -53.8 -40.5 -179.7 56.2 107.5 26.5 25 -2.5 33 -3.4 0 0.0 0 0.0 8 63
30 A 29 HIS H H H X TS+ 0 0 -56.3 -58.5 -180.0 39.2 111.9 13.7 26 -2.7 34 -2.9 0 0.0 0 0.0 14 69
31 A 30 LEU L H H X TS+ 0 0 -60.8 -36.7 179.9 56.3 114.6 29.3 27 -1.3 35 -1.0 0 0.0 0 0.0 11 57
32 A 31 ALA A H H X > TS+ 0 0 -55.4 -57.9 -179.2 43.7 110.2 12.4 28 -3.3 36 -2.1 0 0.0 35 -1.5 11 57
33 A 32 HIS H H H X 3 TS+ 0 0 -51.3 -52.3 180.0 58.7 108.5 24.3 29 -3.4 37 -1.7 0 0.0 0 0.0 11 70
34 A 33 ASN N H H < 3 TS+ 0 0 -54.8 -21.5 -178.4 38.5 113.6 47.3 30 -2.9 209 -2.0 0 0.0 0 0.0 13 70
35 A 34 CYS C H H < < TS+ 0 0 -104.4 -24.6 -179.9 41.1 120.3 42.8 32 -1.5 0 0.0 31 -1.0 0 0.0 12 63
36 A 35 ALA A H H < TS+ 0 0 -85.8 -55.9 -176.8 49.4 109.8 15.8 32 -2.1 0 0.0 0 0.0 0 0.0 11 57
37 A 36 ILE I S h < TS- 0 0 -93.8 104.1 -178.9 -141.9 82.2 139.3 33 -1.7 0 0.0 0 0.0 0 0.0 14 71
38 A 37 PRO P - 0 0 -64.5 157.6 177.2 -112.9 14.5 93.8 0 0.0 68 -1.4 0 0.0 40 -0.7 16 70
39 A 38 PHE F E E AAa + 207 68 -88.9 120.5 -179.4 161.4 51.8 143.6 207 -2.9 207 -1.6 0 0.0 0 0.0 15 68
40 A 39 GLU E E E AA - 206 0 -144.7 150.6 -179.3 -172.3 36.9 173.2 68 -2.5 0 0.0 38 -0.7 0 0.0 12 76
41 A 40 ASN N h > > T + 0 0 -129.0 31.9 -176.5 121.9 50.1 96.4 205 -0.8 45 -1.1 0 0.0 44 -0.7 13 65
42 A 41 LEU L H H > 3 T + 0 0 -71.3 -32.2 -179.4 60.3 65.4 30.4 0 0.0 46 -2.2 0 0.0 0 0.0 9 70
43 A 42 ASP D H H 4 3>TS+ 0 0 -66.7 -18.3 180.0 56.3 102.7 43.0 0 0.0 48 -0.7 0 0.0 0 0.0 9 60
44 A 43 VAL V H H 4 <5TS+ 0 0 -77.7 -43.0 -176.6 42.8 109.9 24.4 41 -0.7 0 0.0 0 0.0 0 0.0 12 51
45 A 44 LEU L H H < 5TS+ 0 0 -72.2 -50.9 177.2 50.5 111.6 20.5 41 -1.1 0 0.0 0 0.0 0 0.0 13 49
46 A 45 LEU L T h < 5TS- 0 0 -82.3 119.1 -179.1 -108.9 117.4 146.5 42 -2.2 0 0.0 0 0.0 0 0.0 10 39
47 A 46 PRO P T T 5T + 0 0 -52.8 127.2 -179.7 138.4 68.1 109.6 0 0.0 0 0.0 0 0.0 0 0.0 6 37
48 A 47 ARG R t > TS- 0 0 -80.6 136.7 -179.6 -101.3 80.5 128.5 0 0.0 56 -2.2 0 0.0 57 -2.0 6 36
54 A 53 GLU E T T 4 3 TS+ 0 0 -59.5 107.5 178.6 45.8 116.6 115.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
55 A 54 THR T T h > 3 TS+ 0 0 152.4 -50.1 177.8 51.4 108.9 112.2 0 0.0 59 -2.8 0 0.0 0 0.0 6 36
56 A 55 ALA A H H > < TS+ 0 0 -73.0 -43.8 179.5 47.3 114.5 18.5 53 -2.2 60 -2.0 0 0.0 0 0.0 9 39
57 A 56 LEU L H H X >TS+ 0 0 -57.8 -44.1 -179.8 49.2 112.8 22.2 53 -2.0 61 -2.6 0 0.0 62 -0.6 14 50
58 A 57 GLU E H H > >TS+ 0 0 -59.9 -51.8 -178.3 44.8 113.8 14.9 0 0.0 62 -1.7 0 0.0 63 -1.1 11 47
59 A 58 GLU E H H < >TS+ 0 0 -67.5 -21.0 -178.1 40.5 120.4 43.1 55 -2.8 64 -1.2 0 0.0 0 0.0 9 44
60 A 59 LYS K H H < 5TS+ 0 0 -92.3 -53.7 -179.0 31.8 123.2 23.3 56 -2.0 66 -2.0 0 0.0 0 0.0 12 52
61 A 60 LEU L H H < 5TS+ 0 0 -73.8 -40.8 176.7 24.5 133.0 28.3 57 -2.6 0 0.0 0 0.0 0 0.0 15 67
62 A 61 LEU L T h < > > T - 0 0 -132.2 -165.9 -177.6 -37.3 61.8 124.1 0 0.0 73 -1.9 0 0.0 72 -0.6 13 73
70 A 69 CYS C H H > 3 TS+ 0 0 -15.2 -80.2 -175.7 36.9 132.4 43.8 125 -0.9 74 -2.4 0 0.0 0 0.0 13 77
71 A 70 PHE F H H > 3 TS+ 0 0 -52.5 -46.9 179.4 39.9 123.0 35.2 0 0.0 75 -0.8 0 0.0 0 0.0 14 68
72 A 71 GLU E H H > < TS+ 0 0 -69.6 -60.2 -178.9 45.3 117.7 6.7 69 -0.6 76 -2.3 0 0.0 0 0.0 12 68
73 A 72 LEU L H H X TS+ 0 0 -49.5 -57.2 179.6 37.8 120.0 24.9 69 -1.9 77 -2.5 0 0.0 0 0.0 15 76
74 A 73 ASN N H H X TS+ 0 0 -69.7 -20.1 178.9 62.5 111.8 40.8 70 -2.4 78 -2.8 0 0.0 0 0.0 16 76
75 A 74 GLY G H H X TS+ 0 0 -67.6 -43.8 179.0 38.3 109.8 23.7 71 -0.8 79 -1.6 0 0.0 0 0.0 12 66
76 A 75 LEU L H H X TS+ 0 0 -69.2 -50.9 -179.2 52.3 116.3 19.9 72 -2.3 80 -2.5 0 0.0 0 0.0 12 69
77 A 76 PHE F H H X TS+ 0 0 -54.1 -47.3 179.4 53.8 106.7 23.9 73 -2.5 81 -2.4 0 0.0 0 0.0 10 76
78 A 77 GLU E H H X TS+ 0 0 -55.9 -45.5 -180.0 50.5 107.9 21.6 74 -2.8 82 -2.3 0 0.0 0 0.0 12 62
79 A 78 ARG R H H X TS+ 0 0 -57.8 -51.2 -178.6 48.5 111.0 15.3 75 -1.6 83 -2.8 0 0.0 0 0.0 9 55
80 A 79 ALA A H H X TS+ 0 0 -52.2 -64.7 -179.9 47.6 111.0 14.4 76 -2.5 84 -2.2 0 0.0 0 0.0 11 64
81 A 80 LEU L H H < >TS+ 0 0 -45.6 -37.9 -179.9 51.7 113.7 33.8 77 -2.4 86 -2.3 0 0.0 0 0.0 13 59
82 A 81 ARG R H H < >5TS+ 0 0 -65.0 -51.2 -179.7 46.9 109.4 16.2 78 -2.3 85 -1.8 0 0.0 0 0.0 10 42
83 A 82 ASP D H H < 35TS+ 0 0 -62.8 -24.6 178.2 58.0 108.1 42.7 79 -2.8 0 0.0 0 0.0 0 0.0 10 37
84 A 83 ILE I T h < 35TS- 0 0 -81.6 -10.9 178.7 -103.5 125.6 52.5 80 -2.2 0 0.0 0 0.0 0 0.0 13 42
85 A 84 GLY G T T <5TS+ 0 0 108.5 -6.1 179.2 137.0 73.2 67.4 82 -1.8 0 0.0 0 0.0 0 0.0 9 33
86 A 85 PHE F t T + 0 0 -108.9 7.7 179.3 112.7 36.3 72.9 172 -1.3 99 -2.3 94 -0.8 0 0.0 12 38
97 A 96 LEU L T T 3 TS+ 0 0 -42.3 -62.9 -179.2 54.2 75.1 25.0 172 -1.1 0 0.0 0 0.0 0 0.0 8 36
98 A 97 SER S T T 3 TS- 0 0 -55.5 -1.7 179.5 -121.4 113.7 61.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
99 A 98 HIS H t < T - 0 0 55.7 64.2 -179.5 -151.3 38.5 10.9 96 -2.3 0 0.0 0 0.0 0 0.0 5 20
100 A 99 PRO P - 0 0 -68.7 151.7 178.4 -122.6 20.9 106.6 0 0.0 0 0.0 0 0.0 0 0.0 8 21
101 A 100 ALA A S S S+ 0 0 -58.1 -43.9 -179.8 19.2 98.5 27.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12
102 A 101 SER S S S S- 0 0 -133.9 143.9 -179.4 -82.7 101.5 170.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
103 A 102 LEU L - 0 0 -45.8 131.7 179.7 -137.3 46.7 93.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
104 A 103 PRO P - 0 0 -86.9 167.6 -179.5 -85.3 28.6 114.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
105 A 104 PRO P - 0 0 -66.9 177.2 179.8 -76.7 56.6 87.2 0 0.0 107 -1.8 0 0.0 0 0.0 7 39
106 A 105 ARG R S S S+ 0 0 -80.6 83.5 179.8 148.3 70.3 126.4 0 0.0 0 0.0 0 0.0 0 0.0 10 48
107 A 106 THR T + 0 0 -85.5 -28.4 -175.1 71.8 47.6 44.0 105 -1.8 0 0.0 0 0.0 0 0.0 13 55
108 A 107 HIS H E E BB - 93 0 -106.4 134.6 179.8 -158.3 59.6 143.2 93 -1.9 93 -2.5 0 0.0 0 0.0 12 68
109 A 108 ARG R E E BB + 92 0 -99.4 157.5 178.8 160.9 20.4 130.1 0 0.0 0 0.0 0 0.0 0 0.0 15 64
110 A 109 LEU L E E BB - 91 0 -165.6 167.2 -176.3 -106.0 31.8 165.0 91 -1.2 91 -2.4 0 0.0 0 0.0 15 71
111 A 110 LEU L E E BBD - 90 122 -112.1 150.6 178.4 -156.6 11.8 142.9 122 -2.7 122 -1.0 0 0.0 0 0.0 13 67
112 A 111 LEU L E E BBD - 89 121 -120.0 124.5 -178.5 -169.7 19.8 170.9 89 -2.2 89 -1.2 0 0.0 0 0.0 12 61
113 A 112 VAL V E E BBD - 88 120 -123.7 134.4 178.1 -151.3 18.1 165.3 120 -3.8 120 -3.3 0 0.0 115 -0.8 12 52
114 A 113 ASP D E E B D + 0 119 -103.8 98.9 -179.6 162.7 30.3 147.2 87 -2.3 0 0.0 0 0.0 0 0.0 11 38
115 A 114 VAL V E E B D> T - 0 118 -121.3 129.2 -179.2 -12.7 63.5 166.5 118 -1.0 118 -1.5 113 -0.8 0 0.0 12 37
116 A 115 GLU E T T 3 TS- 0 0 43.9 68.1 178.3 -53.1 125.0 17.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
117 A 116 ASP D T T 3 TS+ 0 0 52.0 8.2 178.4 96.2 120.6 60.3 0 0.0 0 0.0 0 0.0 0 0.0 5 19
118 A 117 GLU E E E BD < TS- 115 0 -119.2 170.2 179.7 -121.2 71.2 138.1 115 -1.5 115 -1.0 0 0.0 120 -0.5 8 25
119 A 118 GLN Q E E BD + 114 0 -119.2 125.2 179.8 177.0 29.9 162.7 0 0.0 137 -2.7 0 0.0 0 0.0 10 37
120 A 119 TRP W E E BDE - 113 136 -120.9 157.5 177.8 -139.0 21.9 147.3 113 -3.3 113 -3.8 118 -0.5 122 -0.5 12 53
121 A 120 ILE I E E BDE - 112 135 -121.0 119.7 178.9 -172.2 17.4 165.0 135 -1.9 135 -0.7 0 0.0 0 0.0 12 70
122 A 121 ALA A E E BD + 111 0 -107.4 141.7 -179.9 172.4 8.0 151.3 111 -1.0 111 -2.7 120 -0.5 0 0.0 13 72
123 A 122 ASP D + 0 0 -154.5 114.7 -179.9 161.9 17.8 148.1 0 0.0 131 -0.7 0 0.0 0 0.0 15 76
124 A 123 VAL V S S S+ 0 0 -109.5 -1.8 -176.6 68.9 70.3 64.1 0 0.0 0 0.0 0 0.0 0 0.0 16 70
125 A 124 GLY G + 0 0 -105.0 12.4 179.9 93.9 64.2 72.3 0 0.0 70 -0.9 0 0.0 0 0.0 15 67
126 A 125 PHE F S S S- 0 0 -78.6 -8.5 178.7 -146.8 76.0 54.4 0 0.0 0 0.0 0 0.0 0 0.0 12 71
127 A 126 GLY G t > T + 0 0 87.5 -136.4 179.1 21.9 67.5 129.8 0 0.0 130 -2.2 0 0.0 0 0.0 10 60
128 A 127 GLY G T T 3 TS+ 0 0 -33.2 -61.5 -177.0 24.0 137.7 33.0 0 0.0 0 0.0 0 0.0 0 0.0 6 63
129 A 128 GLN Q T T 3 TS+ 0 0 -100.1 21.4 -177.0 146.8 86.0 78.8 0 0.0 0 0.0 0 0.0 0 0.0 5 65
130 A 129 THR T t < T - 0 0 -53.3 161.6 177.6 -97.8 57.1 91.4 127 -2.2 0 0.0 0 0.0 0 0.0 9 72
131 A 130 LEU L - 0 0 -71.1 165.7 177.6 -162.3 26.0 107.9 123 -0.7 0 0.0 0 0.0 0 0.0 12 68
132 A 131 THR T S S S+ 0 0 -133.8 15.0 179.5 34.9 74.9 80.8 0 0.0 0 0.0 0 0.0 0 0.0 12 62
133 A 132 ALA A S S S- 0 0 -167.4 141.7 -179.9 -92.1 92.8 158.5 0 0.0 0 0.0 0 0.0 0 0.0 13 56
134 A 133 PRO P - 0 0 -50.8 160.4 176.7 -151.5 39.9 92.5 0 0.0 0 0.0 0 0.0 0 0.0 12 62
135 A 134 LEU L E E BE - 121 0 -133.7 154.0 179.3 -113.2 15.6 161.3 121 -0.7 121 -1.9 0 0.0 0 0.0 8 54
136 A 135 ARG R E E BE - 120 0 -88.0 146.4 178.1 -112.2 31.2 129.9 0 0.0 138 -1.7 0 0.0 0 0.0 9 44
137 A 136 LEU L S e S+ 0 0 -78.9 90.5 178.4 116.0 74.9 129.3 119 -2.7 0 0.0 0 0.0 0 0.0 9 45
138 A 137 GLN Q - 0 0 -157.7 145.0 -179.4 -116.7 59.4 165.5 136 -1.7 152 -0.6 0 0.0 0 0.0 8 36
139 A 138 ALA A B B b S+ 152 0 -81.8 164.4 179.2 2.0 84.9 108.2 0 0.0 141 -4.1 0 0.0 0 0.0 8 34
140 A 139 GLU E S S S+ 0 0 59.3 -53.7 -179.6 126.2 86.6 99.6 152 -1.0 0 0.0 0 0.0 0 0.0 7 27
141 A 140 ILE I - 0 0 -37.7 100.6 179.1 -135.8 63.2 93.5 139 -4.1 143 -1.3 0 0.0 0 0.0 7 26
142 A 141 ALA A - 0 0 -66.5 95.7 -178.9 -156.0 28.1 119.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
143 A 142 GLN Q E E BF - 150 0 -79.3 150.4 -176.7 -130.8 3.4 115.5 150 -2.0 150 -2.4 141 -1.3 0 0.0 9 36
144 A 143 GLN Q E E BF + 149 0 -108.7 141.0 -178.8 178.2 22.8 144.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
145 A 144 THR T E E BF > T - 148 0 -141.2 143.6 179.3 -107.3 43.9 173.5 148 -2.6 148 -2.8 0 0.0 0 0.0 10 48
146 A 145 PRO P T T 3 TS+ 0 0 -39.1 -24.0 -179.5 30.4 122.1 47.2 0 0.0 0 0.0 0 0.0 0 0.0 8 45
147 A 146 HIS H T T 3 TS- 0 0 -123.0 5.6 179.7 -19.8 127.9 66.4 0 0.0 0 0.0 0 0.0 0 0.0 10 51
148 A 147 GLY G E E BF < T - 145 0 174.6 -179.8 179.2 -87.9 60.7 172.5 145 -2.8 145 -2.6 0 0.0 0 0.0 10 49
149 A 148 GLU E E E BF - 144 0 -119.1 128.0 -179.4 -175.0 38.3 166.6 0 0.0 164 -2.0 0 0.0 0 0.0 10 38
150 A 149 TYR Y E E BFG - 143 163 -125.9 155.6 179.6 -165.5 12.3 152.1 143 -2.4 143 -2.0 0 0.0 0 0.0 13 49
151 A 150 ARG R E E B G - 0 162 -139.1 132.0 -180.0 -146.8 12.3 176.9 162 -1.1 162 -1.2 0 0.0 153 -0.5 13 44
152 A 151 LEU L E E BbG - 139 161 -105.7 125.2 178.6 -150.4 12.0 152.7 138 -0.6 140 -1.0 0 0.0 0 0.0 14 48
153 A 152 MET M E E B G - 0 160 -80.2 177.6 179.9 -140.9 7.8 104.9 160 -1.6 160 -0.6 151 -0.5 0 0.0 11 37
154 A 153 GLN Q + 0 0 -138.8 54.2 -178.8 168.0 27.9 110.1 0 0.0 156 -2.1 0 0.0 0 0.0 10 27
155 A 154 GLU E t > T - 0 0 -74.4 75.6 -179.9 -56.8 68.5 115.3 0 0.0 157 -0.5 0 0.0 158 -0.5 7 23
156 A 155 GLY G T T 3 TS- 0 0 98.5 -128.8 176.7 -30.4 108.2 147.4 154 -2.1 0 0.0 0 0.0 0 0.0 5 18
157 A 156 SER S T T 3 TS+ 0 0 -91.3 -39.6 -179.7 81.8 126.8 39.3 155 -0.5 0 0.0 0 0.0 0 0.0 6 20
158 A 157 THR T S t < TS- 0 0 -67.7 148.3 179.3 -148.4 70.6 105.4 155 -0.5 0 0.0 0 0.0 0 0.0 10 32
159 A 158 TRP W E E B H - 0 175 -117.9 160.2 177.1 -150.2 3.1 145.1 175 -3.4 175 -2.5 0 0.0 0 0.0 12 44
160 A 159 ILE I E E BGH - 153 174 -127.0 148.0 -179.6 -141.1 11.1 162.0 153 -0.6 153 -1.6 0 0.0 0 0.0 13 51
161 A 160 LEU L E E BGH + 152 173 -110.4 137.4 179.1 173.5 25.4 155.5 173 -1.4 172 -3.9 0 0.0 173 -0.6 13 64
162 A 161 GLN Q E E BGH - 151 171 -138.3 169.2 179.4 -165.9 15.4 153.4 151 -1.2 151 -1.1 0 0.0 0 0.0 13 53
163 A 162 PHE F E E BGH - 150 170 -155.1 149.8 -178.9 -89.5 34.3 170.6 170 -1.9 170 -1.3 0 0.0 0 0.0 12 44
164 A 163 ARG R E E B H + 0 169 -65.0 145.2 -177.2 159.2 43.7 103.6 149 -2.0 0 0.0 0 0.0 0 0.0 11 34
165 A 164 HIS H S e S- 0 0 -169.6 103.3 -178.2 -12.1 73.1 132.5 168 -0.7 0 0.0 0 0.0 0 0.0 7 23
166 A 165 HIS H S S S- 0 0 67.5 36.3 177.5 -58.2 125.2 28.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
167 A 166 GLU E S S S+ 0 0 67.4 23.6 177.5 97.7 118.0 44.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
168 A 167 HIS H S e S- 0 0 -143.3 133.1 -179.7 -108.4 78.2 172.8 0 0.0 165 -0.7 0 0.0 0 0.0 6 19
169 A 168 TRP W E E B H - 0 164 -58.6 139.2 178.7 -157.5 33.2 107.8 0 0.0 0 0.0 0 0.0 0 0.0 10 31
170 A 169 GLN Q E E B H - 0 163 -126.2 128.3 -179.0 -131.7 10.9 168.9 163 -1.3 163 -1.9 0 0.0 0 0.0 9 34
171 A 170 SER S E E B H + 0 162 -79.8 129.7 179.5 178.6 21.8 128.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
172 A 171 MET M E E B * - 0 0 -95.3 -50.6 179.8 -28.1 62.4 28.3 161 -3.9 96 -1.3 0 0.0 97 -1.1 11 50
173 A 172 TYR Y E E BCH - 95 161 -166.5 148.4 179.3 -126.2 54.5 164.1 161 -0.6 161 -1.4 0 0.0 0 0.0 12 54
174 A 173 CYS C E E BCH + 94 160 -100.0 164.5 -176.8 158.0 30.9 126.6 94 -1.8 94 -3.4 0 0.0 0 0.0 13 51
175 A 174 PHE F E E BCH - 93 159 -176.6 153.6 178.9 -147.6 22.8 160.1 159 -2.5 159 -3.4 0 0.0 0 0.0 11 49
176 A 175 ASP D e - 0 0 -121.4 -178.6 -178.4 -99.0 37.9 129.1 92 -0.6 0 0.0 0 0.0 0 0.0 10 42
177 A 176 LEU L + 0 0 -93.6 22.2 179.8 139.5 67.4 77.3 0 0.0 0 0.0 0 0.0 0 0.0 6 40
178 A 177 GLY G - 0 0 -66.7 142.8 179.2 -105.1 58.0 110.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29
179 A 178 VAL V - 0 0 -62.3 151.4 179.4 -158.1 35.5 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
180 A 179 GLN Q - 0 0 -130.7 160.2 -179.1 -143.5 3.5 155.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
181 A 180 GLN Q h > > T - 0 0 -123.5 154.1 -179.8 -106.4 31.1 153.1 0 0.0 184 -1.5 0 0.0 185 -1.2 6 32
182 A 181 GLN Q H H > > TS+ 0 0 -42.1 -47.5 -178.2 54.6 122.1 28.1 0 0.0 186 -2.4 0 0.0 185 -1.2 6 39
183 A 182 SER S H H > 3 TS+ 0 0 -58.1 -36.4 -179.6 62.0 98.4 30.3 0 0.0 187 -3.3 0 0.0 0 0.0 6 29
184 A 183 ASP D H H > < TS+ 0 0 -61.2 -29.9 176.5 43.6 108.5 31.2 181 -1.5 188 -1.7 0 0.0 0 0.0 8 34
185 A 184 HIS H H H X < TS+ 0 0 -79.0 -38.7 178.7 55.6 109.2 30.8 182 -1.2 189 -3.6 181 -1.2 0 0.0 11 47
186 A 185 VAL V H H X TS+ 0 0 -58.4 -43.0 -179.3 47.0 110.1 19.7 182 -2.4 190 -3.0 0 0.0 0 0.0 9 40
187 A 186 MET M H H X TS+ 0 0 -63.9 -42.6 178.3 51.2 111.7 20.6 183 -3.3 191 -2.8 0 0.0 0 0.0 8 34
188 A 187 GLY G H H X TS+ 0 0 -58.5 -42.4 178.9 45.9 112.1 23.8 184 -1.7 192 -2.3 0 0.0 0 0.0 12 48
189 A 188 ASN N H H X TS+ 0 0 -65.4 -43.4 -176.9 54.9 110.2 17.2 185 -3.6 193 -2.7 0 0.0 0 0.0 11 57
190 A 189 PHE F H H X TS+ 0 0 -56.4 -43.5 179.7 46.0 110.3 27.0 186 -3.0 194 -1.8 0 0.0 0 0.0 9 40
191 A 190 TRP W H H X > TS+ 0 0 -60.1 -60.0 -176.3 47.4 113.6 9.5 187 -2.8 195 -3.5 0 0.0 194 -0.6 10 39
192 A 191 SER S H H < 3 TS+ 0 0 -54.0 -37.7 -177.9 39.5 118.8 35.5 188 -2.3 0 0.0 0 0.0 0 0.0 10 52
193 A 192 ALA A H H < 3 TS+ 0 0 -87.3 -24.4 -175.9 24.2 129.4 44.8 189 -2.7 0 0.0 0 0.0 0 0.0 10 42
194 A 193 HIS H H H < < TS+ 0 0 -120.6 -19.1 178.1 107.0 81.3 50.1 190 -1.8 0 0.0 191 -0.6 0 0.0 8 31
195 A 194 TRP W S h < > TS- 0 0 -66.3 113.5 -179.4 -132.6 70.4 119.0 191 -3.5 198 -3.9 0 0.0 0 0.0 8 24
196 A 195 PRO P T T 3 TS+ 0 0 -33.5 -42.5 -179.0 48.2 102.4 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 18
197 A 196 GLN Q T T 3 TS+ 0 0 -86.6 4.6 -179.2 123.1 79.1 67.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
198 A 197 SER S g X T - 0 0 -64.8 130.2 179.7 -139.8 62.7 121.5 195 -3.9 201 -1.7 0 0.0 0 0.0 11 35
199 A 198 HIS H G G > TS+ 0 0 -60.6 -34.0 176.5 74.3 95.4 28.4 0 0.0 202 -3.6 0 0.0 0 0.0 6 41
200 A 199 PHE F G G 3 TS+ 0 0 -52.6 -8.7 -178.7 56.2 92.0 53.1 0 0.0 0 0.0 0 0.0 0 0.0 12 50
201 A 200 ARG R G G < TS+ 0 0 -105.2 4.1 -177.2 56.5 102.2 63.5 198 -1.7 0 0.0 0 0.0 0 0.0 12 38
202 A 201 HIS H S g < TS+ 0 0 -117.1 7.0 177.8 16.4 110.0 64.5 199 -3.6 0 0.0 0 0.0 0 0.0 8 34
203 A 202 HIS H S S S- 0 0 -174.0 146.7 180.0 -102.3 74.2 157.8 0 0.0 0 0.0 0 0.0 0 0.0 10 41
204 A 203 LEU L e - 0 0 -71.9 135.6 -179.6 -166.0 38.6 121.8 0 0.0 220 -1.1 0 0.0 0 0.0 14 55
205 A 204 LEU L E E A I + 0 219 -132.7 121.7 177.4 163.5 14.5 163.3 0 0.0 41 -0.8 0 0.0 0 0.0 13 56
206 A 205 MET M E E AAI + 40 218 -134.9 146.3 -178.0 167.1 2.1 170.2 218 -2.0 218 -2.7 0 0.0 0 0.0 14 67
207 A 206 CYS C E E AAI + 39 217 -161.4 127.6 -177.0 176.7 3.9 154.3 39 -1.6 39 -2.9 0 0.0 0 0.0 14 63
208 A 207 ARG R E E A I - 0 216 -132.5 149.6 179.7 -126.1 22.9 163.5 216 -0.9 216 -2.9 0 0.0 0 0.0 14 64
209 A 208 HIS H E E A I - 0 215 -103.7 149.3 -179.9 -154.3 14.6 137.3 34 -2.0 0 0.0 0 0.0 0 0.0 12 62
210 A 209 LEU L e - 0 0 -115.7 152.6 -179.6 -108.6 28.3 146.6 214 -2.8 0 0.0 0 0.0 0 0.0 10 50
211 A 210 PRO P S S S+ 0 0 -42.9 -62.1 -177.2 51.0 104.7 28.7 0 0.0 213 -1.5 0 0.0 0 0.0 7 38
212 A 211 ASP D S S S- 0 0 -91.7 81.0 178.3 -72.9 129.9 125.8 0 0.0 228 -1.0 0 0.0 0 0.0 7 28
213 A 212 GLY G S S S+ 0 0 47.5 15.8 179.7 128.5 99.7 52.2 211 -1.5 229 -1.7 0 0.0 0 0.0 12 37
214 A 213 GLY G e + 0 0 -99.3 161.2 177.8 174.0 32.0 126.2 0 0.0 210 -2.8 0 0.0 0 0.0 14 41
215 A 214 LYS K E E AIJ - 209 226 -160.3 157.4 -179.5 -129.2 23.1 171.0 226 -1.1 226 -1.8 0 0.0 0 0.0 12 53
216 A 215 LEU L E E AIJ - 208 225 -110.4 159.9 -174.7 -166.9 20.5 141.6 208 -2.9 208 -0.9 0 0.0 0 0.0 15 56
217 A 216 THR T E E AIJ - 207 224 -154.9 114.1 179.0 -178.0 9.3 151.3 224 -1.7 224 -0.8 0 0.0 0 0.0 13 54
218 A 217 LEU L E E AIJ + 206 223 -114.1 146.3 179.7 171.6 7.2 150.8 206 -2.7 206 -2.0 0 0.0 0 0.0 12 55
219 A 218 THR T E E AIJ> TS- 205 222 -150.2 89.2 -176.9 -56.1 75.0 137.8 222 -0.9 222 -2.0 0 0.0 0 0.0 10 46
220 A 219 ASN N T e 3 TS- 0 0 67.5 -121.0 179.3 -17.1 123.6 124.4 204 -1.1 0 0.0 0 0.0 0 0.0 9 47
221 A 220 PHE F T T 3 TS+ 0 0 -94.4 -1.5 -179.3 103.4 113.2 57.2 0 0.0 237 -1.4 0 0.0 223 -1.0 10 42
222 A 221 HIS H E E AJC< T - 219 236 -86.4 104.7 178.8 -177.5 50.6 130.9 219 -2.0 219 -0.9 0 0.0 0 0.0 11 36
223 A 222 PHE F E E AJ - 218 0 -96.3 147.8 -178.1 -178.8 1.5 137.4 235 -2.6 0 0.0 221 -1.0 0 0.0 13 44
224 A 223 THR T E E AJ - 217 0 -153.0 137.9 178.7 -154.1 16.1 171.0 217 -0.8 217 -1.7 0 0.0 0 0.0 12 39
225 A 224 ARG R E E AJ - 216 0 -112.0 144.2 -179.4 -163.3 15.0 152.9 233 -2.3 232 -1.2 0 0.0 0 0.0 12 39
226 A 225 TYR Y E E AJK - 215 231 -130.7 144.8 176.0 -167.8 8.8 165.8 215 -1.8 215 -1.1 0 0.0 0 0.0 13 34
227 A 226 HIS H E E A K> TS- 0 230 -131.9 135.0 -177.3 -14.9 78.4 177.5 230 -2.2 230 -1.4 0 0.0 0 0.0 11 28
228 A 227 GLN Q T T 3 TS- 0 0 40.7 41.0 179.3 -49.7 133.9 32.2 212 -1.0 0 0.0 0 0.0 0 0.0 8 26
229 A 228 GLY G T T 3 TS+ 0 0 74.3 29.9 -179.5 121.0 113.9 38.6 213 -1.7 0 0.0 0 0.0 0 0.0 10 37
230 A 229 HIS H E E AK < TS- 227 0 -131.3 141.6 -178.6 -112.5 70.3 167.2 227 -1.4 227 -2.2 0 0.0 232 -1.7 7 27
231 A 230 ALA A E E AK + 226 0 -71.6 88.4 178.5 172.1 41.4 118.6 0 0.0 233 -0.8 0 0.0 0 0.0 9 27
232 A 231 VAL V e - 0 0 -98.3 106.9 -177.0 -8.4 60.2 148.7 230 -1.7 0 0.0 225 -1.2 0 0.0 8 22
233 A 232 GLU E - 0 0 77.0 129.0 -179.7 -158.0 60.5 56.5 231 -0.8 225 -2.3 0 0.0 0 0.0 7 22
234 A 233 GLN Q - 0 0 -144.9 100.7 179.2 -171.5 11.1 147.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
235 A 234 VAL V - 0 0 -98.5 143.7 179.8 -148.7 17.4 138.5 0 0.0 223 -2.6 0 0.0 237 -0.9 7 26
236 A 235 ASN N B B C - 222 0 -110.1 86.4 179.6 -134.3 25.5 141.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
237 A 236 VAL V - 0 0 -40.1 130.9 -178.3 -150.5 11.9 95.0 221 -1.4 0 0.0 235 -0.9 0 0.0 9 33
238 A 237 PRO P + 0 0 -87.3 -8.2 -177.5 13.2 62.9 59.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
239 A 238 ASP D S h > TS- 0 0 -165.8 161.5 -179.8 -105.2 70.9 176.9 0 0.0 243 -2.2 0 0.0 0 0.0 7 30
240 A 239 VAL V H H > TS+ 0 0 -55.3 -55.7 -179.8 49.0 116.7 17.7 0 0.0 244 -3.1 0 0.0 0 0.0 10 34
241 A 240 PRO P H H > TS+ 0 0 -49.3 -52.8 179.7 49.9 111.4 20.9 0 0.0 245 -2.3 0 0.0 0 0.0 7 27
242 A 241 SER S H H > TS+ 0 0 -55.2 -39.9 -179.8 46.9 113.1 28.4 0 0.0 246 -2.3 0 0.0 0 0.0 9 30
243 A 242 LEU L H H X TS+ 0 0 -69.7 -41.9 179.5 58.9 105.0 25.9 239 -2.2 247 -2.3 0 0.0 0 0.0 11 47
244 A 243 TYR Y H H X TS+ 0 0 -52.8 -42.4 179.9 45.2 110.5 23.6 240 -3.1 248 -1.1 0 0.0 0 0.0 10 45
245 A 244 GLN Q H H X > TS+ 0 0 -66.0 -51.4 -179.0 55.5 107.7 16.3 241 -2.3 249 -3.1 0 0.0 248 -0.9 8 34
246 A 245 LEU L H H X 3>TS+ 0 0 -51.9 -32.4 -178.7 58.3 102.9 36.4 242 -2.3 250 -1.2 0 0.0 251 -0.9 9 42
247 A 246 LEU L H H < 35TS+ 0 0 -67.8 -36.8 -179.3 38.4 112.5 29.8 243 -2.3 253 -1.8 0 0.0 0 0.0 10 59
248 A 247 GLN Q H H < <5TS+ 0 0 -82.1 -39.0 -179.8 43.1 122.0 28.1 244 -1.1 0 0.0 245 -0.9 0 0.0 11 40
249 A 248 GLN Q H H < 5TS+ 0 0 -68.2 -74.5 -178.2 25.1 124.4 4.4 245 -3.1 0 0.0 0 0.0 0 0.0 8 35
250 A 249 GLN Q T h < 5TS+ 0 0 -61.1 -41.9 -178.0 28.6 135.5 33.0 246 -1.2 0 0.0 0 0.0 0 0.0 7 47
251 A 250 PHE F S t T - 0 0 153.0 129.9 -177.5 -112.2 63.1 114.6 0 0.0 261 -1.4 0 0.0 0 0.0 9 25
258 A 257 VAL V T T 4 TS+ 0 0 -42.9 -49.8 -178.7 18.1 113.0 28.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
259 A 258 LYS K T T 4 TS+ 0 0 -88.2 -82.3 -175.2 28.8 131.9 22.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
260 A 259 HIS H T T 4 TS+ 0 0 -72.2 6.1 -178.4 104.8 91.9 67.4 0 0.0 0 0.0 0 0.0 0 0.0 10 41
261 A 260 GLY G t < T - 0 0 -78.5 179.4 178.6 -155.1 52.0 99.7 257 -1.4 0 0.0 0 0.0 0 0.0 10 42
262 A 261 PHE F - 0 0 -160.1 134.0 -179.8 -117.2 15.1 160.1 255 -1.7 0 0.0 0 0.0 0 0.0 9 41
263 A 262 THR T h > T - 0 0 -59.9 170.6 178.2 -117.8 27.7 91.1 0 0.0 267 -1.0 0 0.0 0 0.0 8 34
264 A 263 GLU E H H > TS+ 0 0 -83.3 -27.6 178.8 61.4 115.4 37.9 0 0.0 268 -1.5 0 0.0 0 0.0 9 31
265 A 264 ALA A H H > TS+ 0 0 -64.0 -30.9 179.3 54.1 101.6 31.5 0 0.0 269 -1.8 0 0.0 0 0.0 6 26
266 A 265 GLU E H H > TS+ 0 0 -68.2 -40.9 -179.4 52.9 104.4 25.2 0 0.0 270 -2.0 0 0.0 0 0.0 9 32
267 A 266 LEU L H H X TS+ 0 0 -64.9 -28.2 -179.1 56.4 106.4 33.7 263 -1.0 271 -2.1 0 0.0 0 0.0 12 48
268 A 267 ALA A H H X TS+ 0 0 -68.3 -48.6 178.0 48.8 104.3 20.6 264 -1.5 272 -1.3 0 0.0 0 0.0 9 33
269 A 268 ALA A H H X TS+ 0 0 -57.6 -37.6 176.4 54.0 111.8 31.4 265 -1.8 273 -0.9 0 0.0 0 0.0 9 30
270 A 269 VAL V H H < > TS+ 0 0 -62.8 -51.7 179.4 39.0 112.5 18.9 266 -2.0 273 -0.8 0 0.0 0 0.0 10 35
271 A 270 MET M H H < > TS+ 0 0 -72.8 -12.0 -177.0 72.8 104.2 49.3 267 -2.1 274 -0.9 0 0.0 0 0.0 10 41
272 A 271 ALA A H H < 3 TS+ 0 0 -70.1 -30.3 -179.0 68.9 82.8 30.3 268 -1.3 0 0.0 0 0.0 0 0.0 6 26
273 A 272 ALA A T h < < T 0 0 -57.2 -24.7 -179.3 999.9 999.9 43.9 269 -0.9 0 0.0 270 -0.8 0 0.0 5 25
274 A 273 PHE F t < T 0 0 -106.4 999.9 999.9 999.9 999.9 65.6 271 -0.9 0 0.0 0 0.0 0 0.0 6 24
1e2tA.pdb
1E2T TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHTT S HHHHHHHHHHHHHHS EE HHHHTT STTHHHHHHTTT B HHHHHHHHHHHHHHTT EEEEEEEE TT Kabs/Sand
chirality --+++++++++-+---++-+-++++++++++++++--+-+++++-+----+-++++++++++-+-+--++++++++++++++-+-++---+--+++--- chirality
bends SSSSSSSSSS S SSSSSSSSSSSSSSS SSSS SSSSSSSSSSSS SSSSSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< >>>55<<< >5555< 5-turns
3-turns >33<>33< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 a CCC bridge-2
bridge-1 AA a BBBBBB bridge-1
sheets AA BBBBBBBB sheets
4-turns >>>>XXX<<<< >>>>XXXXXXXX<<<< >>44<< >4>>X><<<< >>>>XXXXXXXX<<<< 4-turns
summary hHHHHHHHHHhTt S hHHHHHHHHHHHHHHh EEhHHHHhTt tThHHHHHHhTTt BhHHHHHHHHHHHHHHhTteEEEEEEEEeTTt summary
sequence HMTSFLHAYFTRLHCQPLGVPTVEALRTLHLAHNCAIPFENLDVLLPREIQLDETALEEKLLYARRGGYCFELNGLFERALRDIGFNVRSLLGRVILSHP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS S EEEEEEEETTEEEEE S S TT SS EES BS EEETTEEEEEE TTSEEEEEESSSSEEEEEEE HHHHHHHHHHHHHSTT GG Kabs/Sand
chirality +----++-+----+--+-+--++++-+++--+----+-++---+-+-------+--+---+--+--+---+--+--+----+++++++++++++-++-++ chirality
bends SS S SSS S S SS SS S SS SS SSS SSSS SSSSSSSSSSSSSSSS SS bends
turns TTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >>3<< >33<>33X>3 3-turns
bridge-2 DDDDD EE GGGG HHHHHH HHH*HHH bridge-2
bridge-1 BBBBBB DDDDD EE b FFF FFF b GGGG CCC bridge-1
sheets BBBBBBBB BBBBB BB BBB BBBBBB BBBBBB BBBBBBB sheets
4-turns >>>>XXXXXXX<<<< 4-turns
summary SS S EEEEEEEETTEEEEE S StTTt SS EEe BS EEETTEEEEEE tTTtEEEEEEeSSeEEEEEEEe hHHHHHHHHHHHHHhTTgGG summary
sequence ASLPPRTHRLLLVDVEDEQWIADVGFGGQTLTAPLRLQAEIAQQTPHGEYRLMQEGSTWILQFRHHEHWQSMYCFDLGVQQQSDHVMGNFWSAHWPQSHF sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GSS EEEEE SSS EEEEETTEEEEEETTEE B SHHHHHHHHHHTS TTT HHHHHHHHHT Kabs/Sand
chirality ++--+++---+-++---+--+-------+-+------+-+++++++++++---+++-+++---+++++++++ chirality
bends SSS SSS SSS SSSS SSSSSSSSSSSSS SSS SSSSSSSSS bends
turns TT TTTT TTTT TTTTTTTTTTTTT TTTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns << >33< >33< >33< >>3<< 3-turns
bridge-2 IIIII JJJJJ C KK bridge-2
bridge-1 AA IIIII JJJJJ KK C bridge-1
sheets AAAAA AAAAA AAAAAA AA sheets
4-turns >>>>XXXX<<<< >444< >>>>XXX<<<< 4-turns
summary GgSeEEEEEeSSSeEEEEEeTEEEEEETTEEe B hHHHHHHHHHHht tTTTt hHHHHHHHHHht summary
sequence RHHLLMCRHLPDGGKLTLTNFHFTRYHQGHAVEQVNVPDVPSLYQLLQQQFGLGVNDVKHGFTEAELAAVMAAF sequence
210 220 230 240 250 260 270