Secondary structure calculation program - copyright by David Keith Smith, 1989
1k9sA.pdb
1K9S TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 237
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 ALA A 0 0 999.9 -34.8 175.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
2 A 2 THR T B B A > T - 5 0 -121.6 166.6 -179.4 -102.8 999.9 147.3 5 -2.5 5 -0.5 0 0.0 0 0.0 8 31
3 A 3 PRO P T T 3 TS+ 0 0 -59.6 -25.7 -178.7 26.3 120.6 36.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
4 A 4 HIS H T T 3 TS+ 0 0 -117.2 2.4 -179.0 56.9 119.4 65.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
5 A 5 ILE I B B A < T - 2 0 -137.9 115.3 179.3 -159.7 60.0 162.7 2 -0.5 2 -2.5 0 0.0 7 -1.3 11 46
6 A 6 ASN N + 0 0 -97.1 84.3 -179.4 96.6 58.0 132.7 0 0.0 0 0.0 0 0.0 0 0.0 11 32
7 A 7 ALA A - 0 0 -154.3 171.7 -179.8 -117.6 64.1 156.8 5 -1.3 0 0.0 0 0.0 0 0.0 9 37
8 A 8 GLU E t > T - 0 0 -121.9 158.8 179.4 -76.7 43.0 147.2 0 0.0 11 -2.8 0 0.0 0 0.0 7 31
9 A 9 MET M T T 3 TS+ 0 0 -50.4 129.9 -178.4 33.1 121.1 104.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
10 A 10 GLY G T T 3 TS+ 0 0 106.0 -21.9 179.6 96.1 89.5 83.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
11 A 11 ASP D S t < TS+ 0 0 -71.3 -23.9 179.9 59.8 82.1 39.8 8 -2.8 0 0.0 0 0.0 0 0.0 9 40
12 A 12 PHE F S S S- 0 0 -107.5 142.8 176.7 -127.4 84.6 148.3 0 0.0 0 0.0 0 0.0 0 0.0 14 54
13 A 13 ALA A - 0 0 -72.5 174.6 -179.7 -104.0 33.8 100.3 0 0.0 0 0.0 0 0.0 0 0.0 11 51
14 A 14 ASP D S e S+ 0 0 -79.9 -10.0 178.0 55.6 110.5 53.5 0 0.0 83 -2.1 0 0.0 84 -2.0 9 47
15 A 15 VAL V E E Aa S- 84 0 -123.1 132.6 -179.9 -172.4 70.2 170.2 0 0.0 58 -1.8 0 0.0 0 0.0 13 62
16 A 16 VAL V E E Aab - 85 58 -130.6 126.6 176.4 -151.2 14.2 172.5 84 -2.2 86 -2.7 0 0.0 0 0.0 14 79
17 A 17 LEU L E E Aab - 86 59 -90.0 136.0 -178.8 -165.2 21.1 142.3 58 -2.9 60 -2.3 0 0.0 0 0.0 13 79
18 A 18 MET M E E Aa + 87 0 -135.1 107.3 178.0 178.0 16.7 151.3 86 -3.3 88 -1.4 0 0.0 0 0.0 14 81
19 A 19 PRO P - 0 0 -89.4 166.1 177.1 -123.9 38.0 122.9 0 0.0 62 -1.5 0 0.0 0 0.0 15 70
20 A 20 GLY G S S S+ 0 0 -78.5 -27.4 -177.7 74.7 95.9 33.2 0 0.0 63 -1.6 0 0.0 0 0.0 13 62
21 A 21 ASP D h > > T - 0 0 -90.0 116.5 179.8 -157.2 67.8 136.2 0 0.0 25 -1.6 0 0.0 24 -0.9 11 55
22 A 22 PRO P H H > 3 TS+ 0 0 -62.2 -25.3 179.1 57.7 96.5 38.7 0 0.0 26 -1.6 0 0.0 0 0.0 15 48
23 A 23 LEU L H H > 3 TS+ 0 0 -75.8 -26.4 176.7 52.2 103.7 39.9 0 0.0 27 -2.0 0 0.0 0 0.0 9 43
24 A 24 ARG R H H > < TS+ 0 0 -74.7 -35.2 178.0 52.3 107.4 29.9 21 -0.9 28 -2.6 0 0.0 0 0.0 13 52
25 A 25 ALA A H H X TS+ 0 0 -64.2 -37.3 179.6 50.6 109.3 27.5 21 -1.6 29 -2.4 0 0.0 0 0.0 16 60
26 A 26 LYS K H H X TS+ 0 0 -64.6 -47.0 178.8 47.9 110.8 19.9 22 -1.6 30 -2.4 0 0.0 0 0.0 11 48
27 A 27 TYR Y H H X TS+ 0 0 -59.9 -44.3 -179.3 49.5 112.1 23.1 23 -2.0 31 -2.0 0 0.0 0 0.0 10 46
28 A 28 ILE I H H X >TS+ 0 0 -61.9 -44.2 -178.9 49.0 111.7 20.5 24 -2.6 32 -3.2 0 0.0 33 -0.9 12 55
29 A 29 ALA A H H X 5TS+ 0 0 -62.0 -41.8 -179.2 43.8 115.0 28.3 25 -2.4 33 -0.6 0 0.0 0 0.0 14 53
30 A 30 GLU E H H < 5TS+ 0 0 -75.1 -25.7 -175.8 33.1 125.0 42.1 26 -2.4 0 0.0 0 0.0 0 0.0 9 35
31 A 31 THR T H H < 5TS+ 0 0 -103.3 -36.7 -178.0 26.4 128.0 35.8 27 -2.0 0 0.0 0 0.0 0 0.0 6 35
32 A 32 PHE F H H < 5TS+ 0 0 -104.7 -19.2 -178.5 66.2 108.4 48.0 28 -3.2 0 0.0 0 0.0 0 0.0 7 44
33 A 33 LEU L h < T + 0 0 -146.5 9.2 178.4 140.1 29.9 74.4 0 0.0 44 -2.4 0 0.0 0 0.0 11 36
42 A 42 VAL V G G > TS+ 0 0 -58.7 133.5 -179.0 1.3 86.9 110.4 0 0.0 45 -2.2 0 0.0 0 0.0 9 30
43 A 43 ARG R G G 3 TS- 0 0 59.7 17.5 -179.6 -76.7 125.0 48.5 0 0.0 0 0.0 0 0.0 0 0.0 5 28
44 A 44 GLY G G G < TS+ 0 0 71.4 9.4 -179.6 142.0 93.4 52.8 41 -2.4 46 -1.9 0 0.0 0 0.0 6 31
45 A 45 MET M g < T - 0 0 -86.6 77.7 -177.1 -149.7 45.4 123.9 42 -2.2 0 0.0 0 0.0 0 0.0 12 46
46 A 46 LEU L e - 0 0 -53.6 131.2 178.2 -176.8 19.2 99.5 44 -1.9 61 -1.7 0 0.0 0 0.0 15 48
47 A 47 GLY G E E ACD - 40 60 -131.9 141.5 -178.7 -175.3 2.2 170.0 40 -1.9 39 -2.9 0 0.0 40 -1.4 15 64
48 A 48 PHE F E E ACD - 38 59 -136.2 157.2 175.8 -157.7 14.5 161.0 59 -3.3 59 -2.4 0 0.0 0 0.0 16 58
49 A 49 THR T E E ACD + 37 58 -135.3 132.6 179.6 125.8 33.8 178.8 37 -2.0 37 -2.0 0 0.0 0 0.0 16 53
50 A 50 GLY G E E A*D - 0 57 -157.7 -157.8 178.6 -82.4 51.2 138.7 57 -2.6 57 -2.5 0 0.0 0 0.0 13 39
51 A 51 THR T E E ACD - 34 56 -129.2 154.4 178.2 -160.5 18.1 159.0 34 -1.9 34 -2.5 0 0.0 0 0.0 12 39
52 A 52 TYR Y E E A D> TS- 0 55 -131.4 112.5 -179.0 -21.6 86.4 164.5 55 -2.4 55 -2.2 0 0.0 0 0.0 11 39
53 A 53 LYS K T T 3 TS- 0 0 51.6 47.1 178.6 -48.5 131.2 22.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
54 A 54 GLY G T T 3 TS+ 0 0 81.1 -12.7 -178.1 121.3 114.1 75.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
55 A 55 ARG R E E A D< T - 0 52 -91.5 127.2 178.7 -124.8 64.8 136.0 52 -2.2 52 -2.4 0 0.0 0 0.0 7 34
56 A 56 LYS K E E A D + 0 51 -68.0 125.9 177.9 164.2 42.2 120.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
57 A 57 ILE I E E A D - 0 50 -144.0 151.9 178.9 -150.1 24.1 173.1 50 -2.5 50 -2.6 0 0.0 0 0.0 14 59
58 A 58 SER S E E AbD - 16 49 -119.5 157.5 178.1 -165.8 5.1 147.3 15 -1.8 17 -2.9 0 0.0 0 0.0 13 69
59 A 59 VAL V E E AbD + 17 48 -142.8 133.1 -178.8 161.8 16.7 171.3 48 -2.4 48 -3.3 0 0.0 0 0.0 14 74
60 A 60 MET M E E A D - 0 47 -155.3 144.3 179.5 -110.5 36.4 169.6 17 -2.3 0 0.0 0 0.0 0 0.0 14 72
61 A 61 GLY G e - 0 0 -72.5 154.0 179.0 -166.5 16.7 109.8 46 -1.7 0 0.0 0 0.0 0 0.0 15 65
62 A 62 HIS H - 0 0 -120.6 1.1 179.3 -129.2 34.7 66.5 19 -1.5 0 0.0 0 0.0 0 0.0 14 60
63 A 63 GLY G - 0 0 76.3 -179.1 -178.7 -49.9 41.5 95.6 20 -1.6 0 0.0 0 0.0 0 0.0 11 51
64 A 64 MET M S S S+ 0 0 -100.1 133.3 178.0 17.8 95.3 141.7 0 0.0 0 0.0 0 0.0 0 0.0 10 48
65 A 65 GLY G S h > TS- 0 0 98.5 152.3 179.5 -79.6 86.1 86.6 0 0.0 69 -2.3 0 0.0 0 0.0 10 51
66 A 66 ILE I H H > TS+ 0 0 -55.4 -45.2 -179.8 53.9 124.2 24.2 0 0.0 70 -2.3 0 0.0 0 0.0 15 51
67 A 67 PRO P H H > TS+ 0 0 -59.6 -41.7 -179.4 45.3 111.1 24.3 0 0.0 71 -1.1 0 0.0 0 0.0 7 39
68 A 68 SER S H H > TS+ 0 0 -66.3 -50.3 -177.0 43.1 116.3 16.6 0 0.0 72 -1.6 0 0.0 0 0.0 10 46
69 A 69 CYS C H H X TS+ 0 0 -70.5 -24.8 179.4 62.1 106.6 37.2 65 -2.3 73 -2.7 0 0.0 0 0.0 15 56
70 A 70 SER S H H X TS+ 0 0 -67.2 -35.0 178.0 51.2 103.4 30.2 66 -2.3 74 -1.8 0 0.0 0 0.0 11 59
71 A 71 ILE I H H X TS+ 0 0 -63.8 -55.8 -178.8 41.0 114.6 12.7 67 -1.1 75 -2.2 0 0.0 0 0.0 9 45
72 A 72 TYR Y H H X TS+ 0 0 -63.0 -44.1 179.7 47.1 116.3 26.5 68 -1.6 76 -2.2 0 0.0 0 0.0 11 67
73 A 73 THR T H H X TS+ 0 0 -67.1 -39.7 178.5 51.6 111.8 23.4 69 -2.7 77 -2.2 0 0.0 0 0.0 13 65
74 A 74 LYS K H H X TS+ 0 0 -60.5 -47.0 -179.0 46.2 112.3 17.8 70 -1.8 78 -2.6 0 0.0 0 0.0 11 52
75 A 75 GLU E H H X >TS+ 0 0 -63.9 -40.8 178.1 52.0 110.5 26.3 71 -2.2 79 -2.2 0 0.0 80 -0.5 11 52
76 A 76 LEU L H H X 5TS+ 0 0 -60.8 -44.1 -179.7 43.8 114.7 22.1 72 -2.2 82 -2.1 0 0.0 80 -1.3 10 61
77 A 77 ILE I H H X 5TS+ 0 0 -68.4 -50.2 -176.4 34.5 121.5 17.5 73 -2.2 81 -0.5 0 0.0 0 0.0 12 49
78 A 78 THR T H H < 5TS+ 0 0 -80.9 -25.3 -177.8 25.2 131.9 38.5 74 -2.6 0 0.0 0 0.0 0 0.0 9 39
79 A 79 ASP D H H < 5TS+ 0 0 -116.3 -9.1 -179.2 37.6 127.2 56.9 75 -2.2 0 0.0 0 0.0 0 0.0 8 36
80 A 80 PHE F H H < TS- 0 0 -76.1 136.8 -179.5 -132.3 74.0 122.1 0 0.0 98 -1.5 0 0.0 0 0.0 9 41
96 A 96 PRO P T T 3 TS+ 0 0 -58.1 -32.0 -178.7 47.6 103.9 36.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
97 A 97 HIS H T T 3 TS+ 0 0 -94.4 4.5 177.6 95.5 88.1 64.9 0 0.0 99 -0.5 0 0.0 0 0.0 4 30
98 A 98 VAL V t < T - 0 0 -94.0 127.9 -177.4 -160.0 64.0 146.8 95 -1.5 0 0.0 0 0.0 0 0.0 9 42
99 A 99 LYS K t > T - 0 0 -110.0 163.8 177.7 -79.6 27.3 133.0 97 -0.5 102 -2.0 0 0.0 0 0.0 9 37
100 A 100 LEU L T T 3 TS+ 0 0 -56.5 138.2 179.8 16.9 117.4 107.2 0 0.0 0 0.0 0 0.0 0 0.0 12 42
101 A 101 A ARG R T T 3 TS+ 0 0 73.7 4.3 177.0 140.8 88.2 63.0 202 -3.2 0 0.0 0 0.0 0 0.0 8 51
102 A 102 ASP D e < T - 0 0 -71.3 153.0 179.2 -124.2 51.8 117.2 99 -2.0 202 -2.5 0 0.0 0 0.0 10 52
103 A 103 VAL V E E AfG - 148 201 -103.2 129.0 178.1 -172.2 28.1 150.1 147 -0.5 149 -1.6 0 0.0 0 0.0 13 60
104 A 104 VAL V E E AfG - 149 200 -122.5 145.3 -179.6 -150.2 13.1 161.7 200 -3.0 200 -2.8 0 0.0 106 -0.5 14 67
105 A 105 ILE I E E AfG - 150 199 -114.6 121.7 -178.2 -142.6 12.9 163.3 149 -3.2 151 -2.6 0 0.0 107 -1.2 15 69
106 A 106 GLY G E E AfG + 151 198 -88.0 94.9 178.5 170.4 25.6 134.3 198 -2.4 198 -0.5 104 -0.5 0 0.0 16 66
107 A 107 A MET M E E A* S+ 0 0 -69.6 -24.8 178.5 14.3 80.7 36.2 151 -1.8 129 -2.4 105 -1.2 0 0.0 15 55
108 A 108 GLY G E E AfH S- 152 128 -140.7 165.5 177.5 -146.4 71.2 156.8 151 -1.5 153 -2.0 0 0.0 0 0.0 12 56
109 A 109 ALA A E E AfH - 153 127 -143.9 116.7 175.7 -160.4 3.8 157.3 127 -2.1 127 -0.5 0 0.0 0 0.0 15 60
110 A 110 CYS C E E Af - 154 0 -77.7 167.2 177.6 -175.2 22.2 111.5 153 -3.0 155 -3.2 0 0.0 0 0.0 11 54
111 A 111 THR T E E Af - 155 0 -163.4 155.9 174.5 -150.9 41.1 171.6 0 0.0 0 0.0 0 0.0 0 0.0 9 55
112 A 112 ASP D S e S+ 0 0 -110.1 11.6 176.1 110.4 71.1 79.2 155 -1.2 0 0.0 0 0.0 0 0.0 7 46
113 A 113 SER S - 0 0 -78.0 158.7 178.2 -142.2 65.9 115.8 0 0.0 0 0.0 0 0.0 0 0.0 9 44
114 A 114 LYS K S h > TS+ 0 0 -99.5 -3.0 -175.5 99.5 75.4 60.9 0 0.0 118 -2.0 0 0.0 0 0.0 6 36
115 A 115 VAL V H H > TS+ 0 0 -57.5 -37.6 -179.4 44.9 83.0 32.9 0 0.0 119 -1.4 0 0.0 0 0.0 7 41
116 A 116 ASN N H H > TS+ 0 0 -78.2 -25.4 176.3 55.4 110.0 35.4 0 0.0 120 -2.5 0 0.0 0 0.0 12 39
117 A 117 ARG R H H 4 >TS+ 0 0 -68.9 -34.8 178.2 52.7 106.3 28.5 0 0.0 122 -3.1 0 0.0 0 0.0 11 26
118 A 118 ILE I H H < >5TS+ 0 0 -65.8 -37.9 179.7 40.7 115.3 26.1 114 -2.0 121 -0.5 0 0.0 0 0.0 8 25
119 A 119 ARG R H H < 35TS+ 0 0 -76.3 -32.8 -170.7 46.3 118.6 32.4 115 -1.4 0 0.0 0 0.0 0 0.0 7 28
120 A 120 PHE F T h < >5TS- 0 0 -110.9 38.3 179.3 -99.1 114.5 99.9 116 -2.5 123 -1.9 0 0.0 0 0.0 9 24
121 A 121 LYS K T T <5TS- 0 0 50.5 38.6 178.9 -62.0 78.7 37.4 118 -0.5 0 0.0 0 0.0 0 0.0 6 14
122 A 122 ASP D T T 3 T - 0 0 -78.3 129.8 -178.3 -136.7 37.7 132.6 196 -2.2 134 -1.9 0 0.0 0 0.0 10 47
131 A 131 PHE F H H > TS+ 0 0 -57.5 -46.0 -179.9 51.3 100.1 25.6 0 0.0 135 -2.5 0 0.0 0 0.0 7 37
132 A 132 ASP D H H > TS+ 0 0 -60.8 -39.1 178.6 51.4 109.2 26.4 0 0.0 136 -2.6 0 0.0 0 0.0 7 36
133 A 133 MET M H H > TS+ 0 0 -64.7 -38.8 178.6 49.7 110.0 26.1 0 0.0 137 -2.0 0 0.0 0 0.0 13 50
134 A 134 VAL V H H X TS+ 0 0 -62.9 -46.8 -179.8 47.4 112.4 20.3 130 -1.9 138 -2.5 0 0.0 0 0.0 12 52
135 A 135 ARG R H H X TS+ 0 0 -62.0 -41.8 178.3 51.9 110.4 26.1 131 -2.5 139 -2.7 0 0.0 0 0.0 8 42
136 A 136 ASN N H H X TS+ 0 0 -62.1 -38.0 -179.6 48.6 111.0 26.8 132 -2.6 140 -2.5 0 0.0 0 0.0 12 46
137 A 137 ALA A H H X TS+ 0 0 -68.8 -42.3 179.4 49.2 111.2 24.9 133 -2.0 141 -2.4 0 0.0 0 0.0 13 55
138 A 138 VAL V H H X TS+ 0 0 -62.1 -45.1 -179.8 46.1 114.0 22.2 134 -2.5 142 -1.9 0 0.0 0 0.0 9 46
139 A 139 ASP D H H X TS+ 0 0 -66.4 -40.8 178.3 50.1 112.0 26.4 135 -2.7 143 -2.3 0 0.0 0 0.0 9 37
140 A 140 ALA A H H X TS+ 0 0 -64.1 -41.5 179.9 51.1 110.3 22.9 136 -2.5 144 -1.8 0 0.0 0 0.0 13 40
141 A 141 ALA A H H < >TS+ 0 0 -61.7 -40.4 179.4 49.6 110.2 27.0 137 -2.4 146 -3.1 0 0.0 0 0.0 12 41
142 A 142 LYS K H H < >5TS+ 0 0 -64.3 -45.4 -179.7 50.5 109.7 22.7 138 -1.9 145 -1.1 0 0.0 0 0.0 9 28
143 A 143 ALA A H H < 35TS+ 0 0 -63.1 -31.6 -179.0 47.6 112.6 33.9 139 -2.3 0 0.0 0 0.0 0 0.0 7 25
144 A 144 LEU L T h < 35TS- 0 0 -87.6 -5.0 -179.0 -120.3 112.7 60.6 140 -1.8 0 0.0 0 0.0 0 0.0 7 26
145 A 145 GLY G T T <5T + 0 0 71.0 28.4 -180.0 141.3 65.7 37.2 142 -1.1 0 0.0 0 0.0 0 0.0 6 23
146 A 146 ILE I t T + 0 0 -109.0 82.7 -179.4 166.6 49.1 134.9 0 0.0 166 -1.2 0 0.0 0 0.0 6 19
164 A 164 GLY G T h > > TS+ 0 0 -63.3 -29.7 179.0 68.6 73.5 36.0 162 -0.8 167 -1.2 0 0.0 168 -0.6 7 24
165 A 165 GLU E H H > > TS+ 0 0 -59.1 -30.5 -179.4 70.5 85.1 35.2 0 0.0 169 -1.4 0 0.0 168 -0.9 6 20
166 A 166 MET M H H > < TS+ 0 0 -58.8 -31.6 178.7 61.5 89.6 33.6 163 -1.2 170 -2.4 0 0.0 0 0.0 7 36
167 A 167 PHE F H H > < TS+ 0 0 -63.9 -34.7 178.5 52.5 101.0 28.9 164 -1.2 171 -2.2 0 0.0 0 0.0 9 42
168 A 168 ASP D H H X < TS+ 0 0 -66.9 -37.3 179.6 49.1 109.8 27.3 165 -0.9 172 -2.4 164 -0.6 0 0.0 8 27
169 A 169 VAL V H H X TS+ 0 0 -67.5 -40.5 178.9 51.5 109.9 25.0 165 -1.4 173 -2.1 0 0.0 0 0.0 8 29
170 A 170 MET M H H < >TS+ 0 0 -61.6 -41.8 -179.6 48.7 110.6 24.6 166 -2.4 175 -2.6 0 0.0 0 0.0 11 38
171 A 171 GLU E H H < >5TS+ 0 0 -64.6 -47.4 178.8 52.4 109.3 18.0 167 -2.2 174 -1.9 0 0.0 0 0.0 10 32
172 A 172 LYS K H H < 35TS+ 0 0 -55.8 -40.2 -179.5 47.7 111.0 27.3 168 -2.4 0 0.0 0 0.0 0 0.0 7 26
173 A 173 TYR Y T h < 35TS- 0 0 -86.5 8.9 177.0 -111.2 117.8 68.1 169 -2.1 0 0.0 0 0.0 0 0.0 6 26
174 A 174 GLY G T T <5T + 0 0 75.2 22.9 180.0 177.7 46.6 44.8 171 -1.9 0 0.0 0 0.0 0 0.0 8 34
175 A 175 ILE I t > TS+ 0 0 -141.3 -29.0 -175.7 90.1 76.5 51.0 0 0.0 185 -2.3 0 0.0 184 -0.8 12 68
182 A 182 ALA A H H > 3 TS+ 0 0 -46.3 -51.6 -177.8 48.9 92.4 29.9 0 0.0 186 -2.7 0 0.0 0 0.0 16 78
183 A 183 ALA A H H > 3 TS+ 0 0 -61.1 -33.9 179.5 50.1 112.8 30.6 0 0.0 187 -1.6 0 0.0 0 0.0 16 71
184 A 184 GLY G H H > < TS+ 0 0 -70.6 -41.1 179.6 46.8 111.3 25.2 181 -0.8 188 -2.1 0 0.0 0 0.0 15 69
185 A 185 ILE I H H X TS+ 0 0 -68.0 -40.4 178.8 50.3 112.1 24.2 181 -2.3 189 -2.6 0 0.0 0 0.0 13 75
186 A 186 TYR Y H H X TS+ 0 0 -64.7 -34.4 178.7 52.4 109.6 30.7 182 -2.7 190 -2.0 0 0.0 0 0.0 15 69
187 A 187 GLY G H H X TS+ 0 0 -66.0 -45.4 178.4 45.8 111.1 23.3 183 -1.6 191 -2.4 0 0.0 0 0.0 10 62
188 A 188 VAL V H H X TS+ 0 0 -63.6 -42.6 -179.1 54.3 110.6 24.1 184 -2.1 192 -2.6 0 0.0 0 0.0 11 56
189 A 189 ALA A H H X >TS+ 0 0 -60.9 -41.4 179.6 43.1 112.1 24.3 185 -2.6 194 -2.3 0 0.0 193 -0.8 13 56
190 A 190 ALA A H H < 5TS+ 0 0 -70.9 -38.9 -179.5 52.5 113.9 26.0 186 -2.0 0 0.0 0 0.0 0 0.0 9 41
191 A 191 GLU E H H < 5TS+ 0 0 -63.4 -40.7 -176.8 29.3 121.4 27.2 187 -2.4 0 0.0 0 0.0 0 0.0 6 39
192 A 192 PHE F H H < 5TS- 0 0 -106.3 8.2 176.8 -108.2 113.1 70.1 188 -2.6 0 0.0 0 0.0 0 0.0 9 34
193 A 193 GLY G T h < 5TS+ 0 0 74.7 39.2 179.6 121.8 72.0 33.5 189 -0.8 0 0.0 0 0.0 0 0.0 6 32
194 A 194 ALA A t Ae T - 93 0 -118.7 120.6 -176.4 -156.7 11.2 169.0 210 -2.5 209 -1.6 0 0.0 0 0.0 14 40
206 A 206 ILE I T e 4 TS+ 0 0 -67.6 -26.3 179.5 39.5 90.5 39.3 93 -2.8 0 0.0 204 -0.5 0 0.0 9 42
207 A 207 ARG R T T 4 TS+ 0 0 -89.2 -51.3 -179.5 35.1 123.2 21.9 93 -0.5 0 0.0 0 0.0 0 0.0 7 32
208 A 208 THR T T T 4 TS- 0 0 -76.1 -17.4 -179.2 -137.0 97.3 47.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
209 A 209 HIS H t < T + 0 0 72.4 6.7 177.8 148.4 50.4 58.2 205 -1.6 0 0.0 0 0.0 0 0.0 7 26
210 A 210 GLU E + 0 0 -68.3 149.5 177.9 174.0 22.1 114.7 0 0.0 205 -2.5 0 0.0 0 0.0 8 28
211 A 211 GLN Q B B C - 204 0 -157.5 160.1 -179.9 -122.1 29.9 174.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
212 A 212 THR T - 0 0 -98.4 160.6 179.4 -108.5 35.5 129.7 203 -2.3 0 0.0 0 0.0 0 0.0 8 30
213 A 213 THR T h > T - 0 0 -83.5 167.3 177.8 -106.0 29.3 110.4 0 0.0 217 -2.1 0 0.0 0 0.0 6 24
214 A 214 ALA A H H > TS+ 0 0 -58.9 -40.5 -179.6 53.2 122.0 26.5 0 0.0 218 -1.8 0 0.0 0 0.0 6 27
215 A 215 ALA A H H > TS+ 0 0 -63.6 -40.6 179.7 50.5 107.2 25.7 0 0.0 219 -1.4 0 0.0 0 0.0 7 23
216 A 216 GLU E H H > TS+ 0 0 -64.5 -40.0 179.8 50.1 109.8 26.2 0 0.0 220 -2.4 0 0.0 0 0.0 9 32
217 A 217 ARG R H H < TS+ 0 0 -66.1 -33.1 -177.7 52.9 110.0 31.7 213 -2.1 0 0.0 0 0.0 0 0.0 12 46
218 A 218 GLN Q H H < TS+ 0 0 -72.8 -31.0 -172.0 4.4 129.6 34.2 214 -1.8 0 0.0 0 0.0 0 0.0 11 45
219 A 219 THR T H H < TS+ 0 0 -138.8 -1.9 -176.3 61.6 115.6 62.0 215 -1.4 0 0.0 0 0.0 0 0.0 10 38
220 A 220 THR T h < T + 0 0 -115.2 1.7 -180.0 92.9 68.1 59.2 216 -2.4 222 -1.7 0 0.0 0 0.0 7 40
221 A 221 PHE F + 0 0 -91.0 72.8 -175.7 139.9 48.3 124.7 0 0.0 0 0.0 0 0.0 0 0.0 11 53
222 A 222 ASN N h > T + 0 0 -92.6 -22.8 177.7 73.7 47.7 43.9 220 -1.7 226 -2.2 0 0.0 0 0.0 7 53
223 A 223 ASP D H H > TS+ 0 0 -55.6 -44.6 -178.2 50.6 99.2 22.1 0 0.0 227 -2.2 0 0.0 0 0.0 8 51
224 A 224 MET M H H > TS+ 0 0 -65.9 -28.2 179.3 53.4 107.7 36.1 0 0.0 228 -2.2 0 0.0 0 0.0 12 64
225 A 225 ILE I H H > TS+ 0 0 -72.2 -41.6 179.1 48.3 108.6 25.2 0 0.0 229 -2.9 0 0.0 0 0.0 10 69
226 A 226 LYS K H H X TS+ 0 0 -63.2 -44.4 178.5 49.3 112.9 22.3 222 -2.2 230 -2.7 0 0.0 0 0.0 8 58
227 A 227 ILE I H H X TS+ 0 0 -59.2 -47.4 -179.4 47.3 112.8 19.4 223 -2.2 231 -2.1 0 0.0 0 0.0 12 57
228 A 228 ALA A H H X TS+ 0 0 -60.4 -50.4 -179.1 44.4 114.9 19.7 224 -2.2 232 -1.5 0 0.0 0 0.0 14 71
229 A 229 LEU L H H X TS+ 0 0 -62.6 -45.8 179.4 46.1 115.9 22.6 225 -2.9 233 -1.3 0 0.0 0 0.0 9 66
230 A 230 GLU E H H X TS+ 0 0 -67.5 -29.3 -179.5 59.1 107.5 33.8 226 -2.7 234 -1.8 0 0.0 0 0.0 10 48
231 A 231 SER S H H X TS+ 0 0 -69.0 -31.2 179.1 55.9 101.0 30.1 227 -2.1 235 -2.2 0 0.0 0 0.0 13 51
232 A 232 VAL V H H X TS+ 0 0 -64.6 -43.8 -179.9 50.5 105.4 22.6 228 -1.5 236 -1.2 0 0.0 0 0.0 10 56
233 A 233 LEU L H H X TS+ 0 0 -61.2 -41.3 178.1 50.9 109.9 25.4 229 -1.3 237 -0.6 0 0.0 0 0.0 9 41
234 A 234 LEU L H H < > TS+ 0 0 -61.3 -43.0 179.9 53.7 107.6 22.6 230 -1.8 237 -1.5 0 0.0 0 0.0 9 34
235 A 235 GLY G H H < 3 TS+ 0 0 -64.1 -24.9 179.6 61.3 99.1 41.2 231 -2.2 0 0.0 0 0.0 0 0.0 9 36
236 A 236 ASP D H H < 3 T 0 0 -74.5 -15.9 178.9 999.9 999.9 47.5 232 -1.2 0 0.0 0 0.0 0 0.0 5 30
237 A 237 LYS K h < < T 0 0 99.1 999.9 999.9 999.9 999.9 150.8 234 -1.5 0 0.0 233 -0.6 0 0.0 4 16
1k9sA.pdb
1K9S TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand BTTB TTSS SEEEE S HHHHHHHHHHH EEEEEEE GGG EEEEEETTEEEEEE SSHHHHHHHHHHHHHHH EEEEEEEEEE STT T Kabs/Sand
chirality -++-+--+++--+---+-+-+++++++++++-+---+++++-+----+----+-+--+----+-++++++++++++++-+++----+----++-++--+ chirality
bends SS SSSS SS S SSSSSSSSSSS SS SSS SSS SSSSSSSSSSSSSSSSS SSS S bends
turns TTTT TTTT TTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >>3<< >33< >33<>3 3-turns
bridge-2 bb DDDDDD DDDDDD eeeeeeeeee bridge-2
bridge-1 A A aaaa C**CC*C CCC*C bb aaaa B bridge-1
sheets AAAA AAAAAAA AAAAAA AAAAAA AAAAAAAAAA sheets
4-turns >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary BTTB tTTtS eEEEE ShHHHHHHHHHHHhEEEEEEEgGGGgeEEEEEETTEEEEEEe ShHHHHHHHHHHHHHHHh eEEEEEEEEEE tTTttT summary
sequence ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEEEEEES SHHHHHTTTS EE HHHHHHHHHHHHHTT EEEEEEEE S SS S THHHHHHHHTT EEESSHHHHHHHHHHHT EEEEEE Kabs/Sand
chirality +----++----+-++++++--+----+---+++++++++++++-+-+--+------+-+--+++++++++++-+-+-+-++++++++++++-+-+----- chirality
bends S SS S SSSSSSSSSS SSSSSSSSSSSSSS S S SS S SSSSSSSSSS SSSSSSSSSSSSSS bends
turns TT TTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns 3< >3><3< >33< >>><<< >33< >33< 3-turns
bridge-2 GGGG HH iii B GGG bridge-2
bridge-1 ffff*ffff HH ffffffff iii eeeeee bridge-1
sheets AAAAAAAAA AA AAAAAAAA AAA AAAAAA sheets
4-turns >>>4<<< >>>>XXXXXXX<<<< >>>>XX<<<< >>>>XXXXX<<<< 4-turns
summary TeEEEEEEEEEe hHHHHHhTTt EEehHHHHHHHHHHHHHhTteEEEEEEEEeS SS SthHHHHHHHHhTt EEEShHHHHHHHHHHHhtEEEEEE summary
sequence RDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTIC sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEETTT B HHHHHH HHHHHHHHHHHHHH Kabs/Sand
chirality -++--++-++---++++++++++++++++++++++ chirality
bends SSS SSSSSS SSSSSSSSSSSSS bends
turns TTTTT TTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 G C bridge-2
bridge-1 ee*ee C bridge-1
sheets AAAAA sheets
4-turns >444< >>>><<<< >>>>XXXXXXXX<<<< 4-turns
summary EEEEEeTTt B hHHHHHHh hHHHHHHHHHHHHHHh summary
sequence TVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDK sequence
210 220 230