Secondary structure calculation program - copyright by David Keith Smith, 1989
1lx7A.pdb
1LX7 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 242
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 4 SER S 0 0 999.9 -34.2 178.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 23
2 A 5 ASP D + 0 0 -84.3 -29.3 178.1 41.6 999.9 40.7 8 -3.0 0 0.0 0 0.0 0 0.0 7 25
3 A 6 VAL V S t > TS- 0 0 -115.3 143.6 -178.8 -142.7 81.4 156.0 8 -1.6 7 -0.6 0 0.0 0 0.0 11 32
4 A 7 PHE F T T 4 TS+ 0 0 -70.3 -71.5 -178.1 33.6 90.3 2.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
5 A 8 HIS H T T 4 TS+ 0 0 -53.5 -53.9 -178.7 44.4 122.1 24.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
6 A 9 LEU L T T 4 TS- 0 0 -65.5 -27.5 -179.8 -143.8 94.3 37.1 0 0.0 0 0.0 0 0.0 0 0.0 14 49
7 A 10 GLY G t < T + 0 0 63.7 46.7 -179.2 132.3 51.9 21.3 3 -0.6 0 0.0 0 0.0 0 0.0 11 37
8 A 11 LEU L - 0 0 -128.5 159.7 177.1 -143.7 48.3 151.0 0 0.0 2 -3.0 0 0.0 3 -1.6 11 43
9 A 12 THR T g > > T - 0 0 -115.1 160.9 -179.8 -116.2 30.1 143.7 0 0.0 13 -0.7 0 0.0 12 -0.5 10 36
10 A 13 LYS K G G 4 >>TS+ 0 0 -65.8 -33.8 179.6 61.0 115.7 29.8 0 0.0 13 -0.9 0 0.0 15 -0.6 10 35
11 A 14 ASN N G G 4 >5TS+ 0 0 -60.7 -31.3 180.0 66.4 93.2 34.9 0 0.0 14 -1.2 0 0.0 0 0.0 6 32
12 A 15 ASP D G G 4 <5TS+ 0 0 -59.0 -36.7 -179.6 55.3 95.6 32.7 9 -0.5 0 0.0 0 0.0 0 0.0 7 42
13 A 16 LEU L G G < X5TS- 0 0 -73.1 -14.6 179.7 -145.3 95.2 50.2 10 -0.9 16 -1.8 9 -0.7 0 0.0 12 47
14 A 17 GLN Q T g <5TS- 0 0 52.0 36.0 179.1 -47.7 72.6 32.9 11 -1.2 0 0.0 0 0.0 0 0.0 7 34
15 A 18 GLY G T T 3 T - 0 0 -90.3 126.6 179.6 -148.2 69.3 136.8 0 0.0 27 -1.8 0 0.0 0 0.0 11 42
25 A 28 PRO P G G > > TS+ 0 0 -65.1 -18.7 179.9 69.1 96.0 43.1 0 0.0 28 -0.8 0 0.0 29 -0.6 15 44
26 A 29 ASP D G G 4 3 TS+ 0 0 -75.3 -8.3 -179.9 52.6 97.0 53.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
27 A 30 ARG R G h > < TS+ 0 0 -101.4 -9.4 -179.4 82.6 87.4 58.3 24 -1.8 31 -2.0 0 0.0 0 0.0 8 48
28 A 31 VAL V H H > < TS+ 0 0 -60.7 -49.5 -180.0 51.3 88.4 20.6 25 -0.8 32 -2.7 0 0.0 0 0.0 15 52
29 A 32 GLU E H H X TS+ 0 0 -55.1 -46.7 -179.9 50.1 110.0 23.8 25 -0.6 33 -2.1 0 0.0 0 0.0 10 44
30 A 33 LYS K H H > TS+ 0 0 -59.0 -48.2 179.5 46.9 111.6 22.7 0 0.0 34 -0.9 0 0.0 0 0.0 8 44
31 A 34 ILE I H H < > TS+ 0 0 -60.0 -46.7 -179.4 48.5 113.8 20.3 27 -2.0 34 -1.0 0 0.0 0 0.0 10 57
32 A 35 ALA A H H < 3 TS+ 0 0 -63.7 -31.7 -179.2 66.3 101.0 34.0 28 -2.7 0 0.0 0 0.0 0 0.0 12 54
33 A 36 ALA A H H < 3 T 0 0 -61.6 -28.0 180.0 999.9 999.9 39.2 29 -2.1 0 0.0 0 0.0 0 0.0 8 38
34!A 37 LEU L h < < T 0 0 -65.2 999.9 999.9 999.9 999.9 39.0 31 -1.0 0 0.0 30 -0.9 0 0.0 7 38
35!A 39 ASP D 0 0 999.9 151.0 179.1 999.9 999.9 999.9 0 0.0 52 -2.7 0 0.0 0 0.0 8 29
36 A 40 LYS K - 0 0 44.8 58.8 179.8 -162.5 999.9 25.5 0 0.0 0 0.0 0 0.0 0 0.0 5 27
37 A 41 PRO P + 0 0 -73.0 130.4 179.9 176.2 13.3 122.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36
38 A 42 VAL V E E AC - 50 0 -139.5 139.5 179.6 -121.3 30.3 177.6 50 -3.0 50 -3.0 0 0.0 0 0.0 7 34
39 A 43 LYS K E E AC + 49 0 -79.5 131.1 179.8 176.7 26.9 128.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
40 A 44 LEU L E E A* - 0 0 -99.3 -51.5 -179.5 -29.0 57.0 31.4 48 -2.7 0 0.0 0 0.0 0 0.0 10 46
41 A 45 ALA A E E AC - 48 0 -161.4 169.8 179.6 -156.9 39.6 168.8 48 -1.9 48 -2.7 0 0.0 0 0.0 11 41
42 A 46 SER S E E AC + 47 0 -160.4 103.9 179.4 157.5 21.9 137.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36
43 A 47 HIS H E E AC > T - 46 0 -133.5 120.6 -178.8 -42.6 68.8 169.7 46 -2.0 46 -2.3 0 0.0 0 0.0 9 31
44 A 48 ARG R T T 3 TS- 0 0 61.4 -128.7 -179.8 -23.3 125.6 115.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
45 A 49 GLU E T T 3 TS+ 0 0 -99.3 19.5 179.9 102.3 117.6 83.3 0 0.0 47 -0.8 0 0.0 0 0.0 10 37
46 A 50 PHE F E E AC < T + 43 0 -107.0 86.1 178.8 166.4 44.9 141.2 43 -2.3 43 -2.0 0 0.0 0 0.0 15 48
47 A 51 THR T E E AC - 42 0 -102.3 131.2 -179.8 -168.6 13.1 150.8 45 -0.8 62 -1.9 0 0.0 0 0.0 15 51
48 A 52 THR T E E ACD + 41 61 -126.0 133.4 178.2 175.4 9.5 167.6 41 -2.7 40 -2.7 0 0.0 41 -1.9 15 64
49 A 53 TRP W E E ACD - 39 60 -129.5 151.3 178.1 -147.5 16.5 159.7 60 -2.8 60 -2.5 0 0.0 0 0.0 15 58
50 A 54 ARG R E E ACD + 38 59 -119.2 146.8 179.0 163.8 23.9 157.0 38 -3.0 38 -3.0 0 0.0 0 0.0 14 56
51 A 55 ALA A E E A D - 0 58 -147.8 -177.6 -179.8 -105.5 32.8 149.0 58 -2.6 58 -2.8 0 0.0 0 0.0 14 44
52 A 56 GLU E E E A D - 0 57 -124.7 129.8 179.7 -174.7 22.0 167.3 35 -2.7 54 -0.5 0 0.0 0 0.0 11 40
53 A 57 LEU L E E A D> TS- 0 56 -126.0 109.0 179.8 -25.5 78.0 160.7 56 -3.3 56 -1.6 0 0.0 0 0.0 9 39
54 A 58 ASP D T T 3 TS- 0 0 58.8 37.4 179.0 -47.6 127.9 31.8 52 -0.5 0 0.0 0 0.0 0 0.0 5 26
55 A 59 GLY G T T 3 TS+ 0 0 90.1 -10.7 -179.9 107.0 118.9 72.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
56 A 60 LYS K E E A D< TS- 0 53 -107.4 142.0 179.8 -112.5 73.1 146.8 53 -1.6 53 -3.3 0 0.0 0 0.0 8 34
57 A 61 PRO P E E A D - 0 52 -70.8 135.0 -179.8 -172.0 35.0 118.7 0 0.0 17 -0.5 0 0.0 0 0.0 13 46
58 A 62 VAL V E E A D - 0 51 -129.4 147.6 -179.9 -140.1 12.1 162.1 51 -2.8 51 -2.6 0 0.0 0 0.0 14 59
59 A 63 ILE I E E AbD - 19 50 -111.2 145.7 176.9 -167.7 9.0 147.1 18 -2.4 20 -3.2 0 0.0 0 0.0 14 76
60 A 64 VAL V E E AbD + 20 49 -131.2 116.3 -178.1 166.9 20.5 168.6 49 -2.5 49 -2.8 0 0.0 0 0.0 15 75
61 A 65 CYS C E E A D - 0 48 -138.2 133.9 179.8 -129.8 29.6 175.9 20 -2.4 0 0.0 0 0.0 0 0.0 15 76
62 A 66 SER S e - 0 0 -80.4 149.9 -178.3 -162.7 9.1 118.8 47 -1.9 0 0.0 0 0.0 0 0.0 15 62
63 A 67 THR T - 0 0 -104.3 -23.5 -177.4 -140.8 27.3 49.1 22 -1.7 0 0.0 0 0.0 0 0.0 15 56
64 A 68 GLY G - 0 0 84.7 -175.5 -179.1 -39.7 44.7 108.1 23 -2.1 0 0.0 0 0.0 0 0.0 11 47
65 A 69 ILE I S S S+ 0 0 -93.3 135.6 177.8 12.7 99.1 134.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
66 A 70 GLY G S h > TS- 0 0 92.2 158.2 180.0 -79.0 84.8 84.8 0 0.0 70 -2.1 0 0.0 0 0.0 8 45
67 A 71 GLY G H H > TS+ 0 0 -61.7 -45.9 179.9 54.6 122.8 27.0 0 0.0 71 -2.8 0 0.0 0 0.0 16 50
68 A 72 PRO P H H > TS+ 0 0 -56.1 -46.9 179.7 44.0 112.2 21.4 0 0.0 72 -1.5 0 0.0 0 0.0 8 39
69 A 73 SER S H H > TS+ 0 0 -64.5 -41.6 -179.7 51.0 114.3 24.2 0 0.0 73 -1.9 0 0.0 0 0.0 10 43
70 A 74 THR T H H X TS+ 0 0 -63.2 -41.7 -179.1 55.4 105.0 27.8 66 -2.1 74 -3.0 0 0.0 0 0.0 14 57
71 A 75 SER S H H X TS+ 0 0 -60.7 -38.9 179.1 51.7 106.7 28.2 67 -2.8 75 -2.7 0 0.0 0 0.0 11 54
72 A 76 ILE I H H X TS+ 0 0 -62.1 -50.5 -179.9 43.7 113.4 16.4 68 -1.5 76 -2.2 0 0.0 0 0.0 9 50
73 A 77 ALA A H H X TS+ 0 0 -60.9 -49.2 -179.7 46.4 116.4 21.2 69 -1.9 77 -2.3 0 0.0 0 0.0 14 64
74 A 78 VAL V H H X TS+ 0 0 -61.7 -49.1 -179.0 47.3 113.2 20.7 70 -3.0 78 -2.5 0 0.0 0 0.0 10 66
75 A 79 GLU E H H X TS+ 0 0 -62.9 -39.9 179.9 47.9 113.7 25.7 71 -2.7 79 -2.1 0 0.0 0 0.0 8 53
76 A 80 GLU E H H X TS+ 0 0 -68.2 -38.1 178.1 48.8 112.3 25.8 72 -2.2 80 -1.2 0 0.0 0 0.0 11 51
77 A 81 LEU L H H < >TS+ 0 0 -66.1 -38.0 179.3 52.3 110.2 26.9 73 -2.3 82 -2.5 0 0.0 0 0.0 9 60
78 A 82 ALA A H H < >5TS+ 0 0 -63.3 -39.6 178.8 53.8 105.9 27.0 74 -2.5 81 -1.6 0 0.0 0 0.0 9 54
79 A 83 GLN Q H H < 35TS+ 0 0 -63.6 -27.5 -179.4 55.2 105.9 37.0 75 -2.1 0 0.0 0 0.0 0 0.0 8 39
80 A 84 LEU L T h < 35TS- 0 0 -86.6 0.8 178.8 -91.8 131.5 64.7 76 -1.2 0 0.0 0 0.0 0 0.0 10 43
81 A 85 GLY G T T <5TS+ 0 0 106.9 -1.7 179.5 146.7 74.7 64.7 78 -1.6 0 0.0 0 0.0 0 0.0 10 40
82 A 86 ILE I t TS- 0 0 -113.2 130.6 -179.8 -139.6 70.8 161.4 0 0.0 98 -1.4 0 0.0 0 0.0 11 41
96 A 100 PRO P T T 3 TS+ 0 0 -55.4 -35.0 -178.7 55.1 101.0 36.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
97 A 101 HIS H T T 3 TS+ 0 0 -78.1 -13.8 179.5 89.6 87.7 51.6 0 0.0 99 -0.7 0 0.0 0 0.0 4 31
98 A 102 ILE I t < T - 0 0 -89.5 118.1 -177.6 -163.3 65.5 140.3 95 -1.4 0 0.0 0 0.0 0 0.0 10 43
99 A 103 ASN N t > T - 0 0 -102.7 161.0 179.1 -86.6 28.3 126.0 97 -0.7 102 -2.0 0 0.0 0 0.0 10 37
100 A 104 VAL V T T 3 TS+ 0 0 -61.2 136.3 -179.1 35.0 115.6 111.6 0 0.0 0 0.0 0 0.0 0 0.0 12 44
101 A 105 GLY G T T 3 TS+ 0 0 103.7 -22.1 178.9 119.5 91.3 83.7 209 -3.1 0 0.0 0 0.0 0 0.0 11 49
102 A 106 ASP D e < T - 0 0 -70.4 164.2 179.5 -131.0 59.1 105.2 99 -2.0 209 -3.0 0 0.0 0 0.0 13 53
103 A 107 VAL V E E AfG - 147 208 -121.6 142.0 179.9 -151.7 12.3 161.4 146 -2.5 148 -2.4 0 0.0 0 0.0 14 62
104 A 108 LEU L E E AfG - 148 207 -115.9 134.4 176.7 -165.9 5.0 159.5 207 -3.4 207 -2.1 0 0.0 106 -0.5 12 69
105 A 109 VAL V E E Af - 149 0 -118.8 119.2 -177.3 -139.6 20.6 169.5 148 -3.0 150 -1.7 0 0.0 107 -0.5 14 65
106 A 110 THR T E E Af + 150 0 -87.6 120.3 179.6 178.9 23.4 134.4 104 -0.5 0 0.0 0 0.0 0 0.0 13 67
107 A 111 THR T E E A* S- 0 0 -84.3 -32.1 179.2 -15.0 75.1 37.1 150 -2.2 128 -2.8 105 -0.5 0 0.0 13 51
108 A 112 ALA A E E AfH - 151 127 -166.0 158.5 -179.5 -129.9 65.4 165.5 150 -0.7 152 -2.0 0 0.0 0 0.0 12 55
109 A 113 SER S E E AfH - 152 126 -123.7 148.2 177.6 -118.9 20.1 155.1 126 -2.2 126 -0.6 0 0.0 0 0.0 15 55
110 A 114 VAL V E E Af - 153 0 -77.2 129.3 -177.3 -126.8 37.5 133.2 152 -2.8 154 -2.4 0 0.0 112 -1.5 10 49
111 A 115 ARG R E E Af + 154 0 -86.9 83.3 179.4 152.4 49.2 125.8 0 0.0 0 0.0 0 0.0 0 0.0 11 49
112 A 116 LEU L E E Af + 155 0 -98.9 37.2 -178.7 82.8 53.6 97.2 154 -1.8 156 -2.0 110 -1.5 0 0.0 10 52
113 A 117 ASP D - 0 0 -128.1 -173.3 180.0 -137.2 68.9 127.2 0 0.0 0 0.0 0 0.0 0 0.0 12 47
114 A 118 GLY G S g > TS+ 0 0 -117.6 -38.7 -178.8 65.1 90.2 44.8 0 0.0 117 -1.2 0 0.0 0 0.0 8 39
115 A 119 ALA A G G > TS+ 0 0 -58.7 -35.3 -179.7 60.6 95.4 34.2 0 0.0 118 -1.6 0 0.0 0 0.0 10 41
116 A 120 SER S G G > > TS+ 0 0 -63.8 -26.5 -179.7 67.4 93.4 36.7 0 0.0 119 -1.3 0 0.0 120 -1.3 13 46
117 A 121 LEU L G G 4 < TS+ 0 0 -68.2 -14.2 -179.8 65.1 89.1 51.1 114 -1.2 0 0.0 0 0.0 0 0.0 9 37
118 A 122 HIS H G G 4 < TS+ 0 0 -82.3 -17.9 -179.3 38.1 108.5 45.3 115 -1.6 0 0.0 0 0.0 0 0.0 7 32
119 A 123 PHE F T g 4 < TS+ 0 0 -104.6 -21.1 179.2 0.2 130.5 48.4 116 -1.3 0 0.0 0 0.0 0 0.0 8 34
120 A 124 ALA A S t < TS- 0 0 -167.2 147.8 179.8 -93.1 78.0 162.9 116 -1.3 0 0.0 0 0.0 0 0.0 10 30
121 A 125 PRO P t > T - 0 0 -58.3 157.4 -179.4 -105.4 46.0 98.9 0 0.0 124 -2.0 0 0.0 0 0.0 7 25
122 A 126 LEU L T T 3 TS+ 0 0 -57.2 -27.7 179.4 69.6 118.2 38.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
123 A 127 GLU E T T 3 TS+ 0 0 -61.4 -26.4 -179.0 90.9 81.7 40.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
124 A 128 PHE F S t < TS- 0 0 -75.7 134.5 -179.8 -117.2 84.9 122.9 121 -2.0 0 0.0 0 0.0 0 0.0 7 31
125 A 129 PRO P - 0 0 -77.6 133.2 177.6 -137.1 4.6 123.0 0 0.0 127 -2.4 0 0.0 0 0.0 8 43
126 A 130 ALA A E E AH + 109 0 -82.7 71.9 -178.4 164.4 51.5 122.5 109 -0.6 109 -2.2 0 0.0 0 0.0 14 54
127 A 131 VAL V E E AH - 108 0 -98.9 146.2 179.1 -125.8 35.2 135.1 125 -2.4 0 0.0 0 0.0 0 0.0 10 52
128 A 132 ALA A e - 0 0 -85.5 156.9 178.7 -93.4 35.6 120.2 107 -2.8 0 0.0 0 0.0 0 0.0 14 52
129 A 133 ASP D h > T - 0 0 -69.6 135.8 -179.4 -133.1 29.3 119.0 204 -2.9 133 -2.7 0 0.0 0 0.0 11 46
130 A 134 PHE F H H > TS+ 0 0 -59.5 -42.1 -179.9 48.8 103.8 29.3 0 0.0 134 -2.7 0 0.0 0 0.0 6 38
131 A 135 GLU E H H > TS+ 0 0 -67.6 -41.1 178.6 47.2 113.2 24.0 0 0.0 135 -2.8 0 0.0 0 0.0 8 40
132 A 136 CYS C H H > TS+ 0 0 -63.0 -48.5 179.9 47.1 114.3 18.0 0 0.0 136 -2.5 0 0.0 0 0.0 14 53
133 A 137 THR T H H X TS+ 0 0 -59.4 -44.9 178.6 49.1 113.1 23.4 129 -2.7 137 -2.7 0 0.0 0 0.0 13 54
134 A 138 THR T H H X TS+ 0 0 -59.0 -51.2 -179.8 49.2 111.4 16.5 130 -2.7 138 -2.9 0 0.0 0 0.0 8 42
135 A 139 ALA A H H X TS+ 0 0 -54.7 -44.2 -179.5 48.0 112.6 27.0 131 -2.8 139 -2.1 0 0.0 0 0.0 12 48
136 A 140 LEU L H H X TS+ 0 0 -65.2 -44.6 179.5 47.6 112.7 23.3 132 -2.5 140 -2.2 0 0.0 0 0.0 15 57
137 A 141 VAL V H H X TS+ 0 0 -63.1 -47.4 -179.9 45.4 114.5 20.2 133 -2.7 141 -2.2 0 0.0 0 0.0 11 49
138 A 142 GLU E H H X TS+ 0 0 -65.4 -35.0 179.6 52.4 112.0 31.6 134 -2.9 142 -1.9 0 0.0 0 0.0 9 38
139 A 143 ALA A H H X TS+ 0 0 -67.0 -42.9 179.3 50.0 108.8 24.7 135 -2.1 143 -0.7 0 0.0 0 0.0 12 45
140 A 144 ALA A H H < >>TS+ 0 0 -61.1 -43.6 -180.0 48.3 112.0 22.8 136 -2.2 145 -2.1 0 0.0 143 -1.0 13 46
141 A 145 LYS K H H < >5TS+ 0 0 -66.4 -33.6 -179.5 66.9 99.2 33.3 137 -2.2 144 -2.2 0 0.0 0 0.0 10 34
142 A 146 SER S H H < 35TS+ 0 0 -60.5 -22.2 179.3 41.7 107.2 43.0 138 -1.9 0 0.0 0 0.0 0 0.0 7 27
143 A 147 ILE I T h < <5TS- 0 0 -109.7 16.2 179.1 -111.7 117.8 81.6 140 -1.0 0 0.0 139 -0.7 0 0.0 7 30
144 A 148 GLY G T T <5T + 0 0 58.8 37.3 179.6 163.8 58.4 33.8 141 -2.2 0 0.0 0 0.0 0 0.0 6 25
145 A 149 ALA A t >TS+ 0 0 -98.7 -76.3 -179.4 24.4 123.9 23.5 0 0.0 164 -2.4 0 0.0 162 -0.8 9 35
160 A 164 PRO P G G >5TS+ 0 0 -63.1 -37.4 178.9 53.9 121.1 28.0 0 0.0 163 -1.8 0 0.0 0 0.0 12 31
161 A 165 GLY G G G 35TS+ 0 0 -67.9 -18.5 178.7 46.1 112.1 45.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
162 A 166 GLN Q G G <5TS- 0 0 -107.5 20.2 -179.3 -118.4 118.1 84.4 159 -0.8 0 0.0 0 0.0 0 0.0 9 48
163 A 167 GLU E T g <5T + 0 0 41.9 50.9 177.8 164.4 53.4 32.2 160 -1.8 0 0.0 0 0.0 0 0.0 11 40
164 A 168 ARG R t > T - 0 0 -56.6 147.5 -178.6 -106.7 38.0 102.3 0 0.0 176 -1.7 0 0.0 177 -0.8 7 23
174 A 178 ARG R G G 4 > TS+ 0 0 -42.3 -51.0 -179.0 62.5 116.0 30.6 0 0.0 177 -1.4 0 0.0 0 0.0 5 19
175 A 179 HIS H G G 4 3 TS+ 0 0 -49.7 -35.3 -179.4 35.9 112.2 38.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
176 A 180 PHE F G G 4 X TS+ 0 0 -102.7 0.2 178.7 119.7 84.6 63.4 173 -1.7 179 -2.0 0 0.0 0 0.0 10 31
177 A 181 LYS K T g < < TS+ 0 0 -67.3 122.7 -179.8 2.1 93.1 120.9 174 -1.4 0 0.0 173 -0.8 0 0.0 8 23
178 A 182 GLY G T T 3 T 0 0 77.7 7.5 -179.6 999.9 999.9 56.5 0 0.0 181 -1.4 0 0.0 0 0.0 6 21
179!A 183 SER S t < T 0 0 -68.8 999.9 999.9 999.9 999.9 30.4 176 -2.0 182 -2.6 0 0.0 0 0.0 8 35
180!A 185 GLU E t > T 0 0 999.9 -39.1 179.4 999.9 999.9 999.9 0 0.0 184 -2.5 0 0.0 0 0.0 6 29
181 A 186 GLU E T T 4 T + 0 0 -63.2 -51.8 179.6 44.9 999.9 18.8 178 -1.4 0 0.0 0 0.0 0 0.0 6 24
182 A 187 TRP W T T 4 TS+ 0 0 -59.9 -42.2 179.1 54.0 112.7 24.6 179 -2.6 186 -2.4 0 0.0 0 0.0 8 34
183 A 188 GLN Q T T 4 T 0 0 -57.7 -48.7 -179.9 999.9 999.9 21.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
184!A 189 ALA A t < T 0 0 -64.2 999.9 999.9 999.9 999.9 39.1 180 -2.5 0 0.0 0 0.0 0 0.0 6 20
185!A 191 GLY G 0 0 999.9 11.0 178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
186!A 192 VAL V 0 0 -66.7 999.9 999.9 999.9 999.9 119.8 182 -2.4 0 0.0 0 0.0 0 0.0 11 46
187!A 194 ASN N e 0 0 999.9 179.5 178.3 999.9 999.9 999.9 0 0.0 153 -2.8 0 0.0 0 0.0 11 64
188 A 195 TYR Y E E Ai 153 0 -118.7 145.9 174.8 999.9 999.9 154.3 0 0.0 92 -0.5 0 0.0 0 0.0 11 63
189!A 196 GLU E E E Ai 154 0 -156.4 999.9 999.9 999.9 999.9 151.4 153 -1.9 155 -2.5 0 0.0 0 0.0 10 66
190!A 198 GLU E h > T 0 0 999.9 -22.8 -176.9 999.9 999.9 999.9 0 0.0 194 -2.0 0 0.0 0 0.0 11 64
191 A 199 SER S H H > T + 0 0 -57.9 -40.3 -179.7 61.8 999.9 33.3 0 0.0 195 -3.2 0 0.0 0 0.0 11 74
192 A 200 ALA A H H > TS+ 0 0 -51.7 -51.3 -179.1 39.8 111.7 18.0 0 0.0 196 -2.2 0 0.0 0 0.0 16 64
193 A 201 THR T H H 4 TS+ 0 0 -64.0 -50.4 -179.2 46.5 118.4 20.0 0 0.0 0 0.0 0 0.0 0 0.0 14 66
194 A 202 LEU L H H < TS+ 0 0 -59.5 -51.7 -178.6 40.4 118.0 20.2 190 -2.0 0 0.0 0 0.0 0 0.0 13 76
195 A 203 LEU L H H < T 0 0 -66.3 -45.1 -179.6 999.9 999.9 22.8 191 -3.2 198 -3.0 0 0.0 0 0.0 14 71
196!A 204 THR T h < T 0 0 -62.5 999.9 999.9 999.9 999.9 18.9 192 -2.2 199 -1.8 0 0.0 0 0.0 15 58
197!A 206 CYS C t >>T 0 0 999.9 -46.3 -179.8 999.9 999.9 999.9 0 0.0 202 -2.5 0 0.0 200 -1.3 10 58
198 A 207 ALA A T T 35T + 0 0 -63.8 -27.8 -179.3 47.8 999.9 37.2 195 -3.0 0 0.0 0 0.0 0 0.0 13 47
199 A 208 SER S T T 35TS+ 0 0 -94.0 2.0 -178.9 47.1 113.3 66.4 196 -1.8 0 0.0 0 0.0 0 0.0 8 37
200 A 209 GLN Q T T <5TS- 0 0 -131.0 24.8 179.0 -99.6 115.5 86.3 197 -1.3 0 0.0 0 0.0 0 0.0 5 35
201 A 210 GLY G T T 5TS+ 0 0 65.0 26.0 179.5 129.9 81.1 41.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
202 A 211 LEU L t T - 93 0 -143.3 104.5 -178.3 -162.2 5.0 149.1 0 0.0 215 -2.0 0 0.0 0 0.0 14 39
213 A 223 ARG R T e 3 TS+ 0 0 -63.2 -13.1 179.5 61.9 90.2 51.4 93 -0.9 0 0.0 0 0.0 0 0.0 8 35
214 A 224 THR T T T 3 TS+ 0 0 -90.1 -6.7 179.6 78.3 92.3 56.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
215 A 225 GLN Q t < T - 0 0 -104.6 143.1 -179.9 -148.2 68.4 145.4 212 -2.0 0 0.0 0 0.0 0 0.0 7 23
216 A 226 GLN Q S S S+ 0 0 -73.7 -35.9 -179.6 88.8 76.6 31.7 0 0.0 0 0.0 0 0.0 0 0.0 5 19
217 A 227 GLU E S S S- 0 0 -67.1 130.6 179.2 -133.0 77.6 116.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
218 A 228 ILE I - 0 0 -84.0 153.5 -179.7 -96.8 27.9 122.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
219 A 229 PRO P - 0 0 -69.9 149.7 178.8 -109.3 36.4 108.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
220 A 230 ASN N - 0 0 -77.2 146.0 -179.9 -132.9 16.7 121.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
221 A 231 ALA A S S S+ 0 0 -67.8 -32.7 -179.6 38.4 107.9 34.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
222 A 232 GLU E 0 0 -84.7 -44.7 -179.8 999.9 999.9 27.2 0 0.0 225 -2.5 0 0.0 0 0.0 5 17
223!A 233 THR T 0 0 -56.5 999.9 999.9 999.9 999.9 36.0 0 0.0 226 -1.3 0 0.0 0 0.0 10 28
224!A 235 LYS K h > T 0 0 999.9 -40.6 179.7 999.9 999.9 999.9 0 0.0 228 -1.7 0 0.0 0 0.0 7 29
225 A 236 GLN Q H H > T + 0 0 -62.0 -35.6 -179.7 55.4 999.9 31.0 222 -2.5 229 -2.0 0 0.0 0 0.0 8 33
226 A 237 THR T H H > TS+ 0 0 -66.1 -39.5 179.4 53.1 103.9 28.1 223 -1.3 230 -2.3 0 0.0 0 0.0 14 44
227 A 238 GLU E H H > TS+ 0 0 -61.5 -44.5 179.8 48.4 109.7 22.5 0 0.0 231 -1.9 0 0.0 0 0.0 10 46
228 A 239 SER S H H X TS+ 0 0 -62.5 -42.7 179.8 51.0 110.6 25.9 224 -1.7 232 -2.2 0 0.0 0 0.0 8 43
229 A 240 HIS H H H X TS+ 0 0 -62.6 -41.9 -179.6 51.8 108.3 25.2 225 -2.0 233 -2.3 0 0.0 0 0.0 9 48
230 A 241 ALA A H H X TS+ 0 0 -62.1 -41.6 179.3 47.9 110.6 25.8 226 -2.3 234 -2.3 0 0.0 0 0.0 15 60
231 A 242 VAL V H H X TS+ 0 0 -64.8 -41.6 -179.9 52.0 110.4 26.5 227 -1.9 235 -2.1 0 0.0 0 0.0 11 62
232 A 243 LYS K H H X TS+ 0 0 -61.2 -42.8 -179.8 49.1 110.7 25.0 228 -2.2 236 -2.2 0 0.0 0 0.0 9 54
233 A 244 ILE I H H X TS+ 0 0 -64.8 -45.8 -178.7 49.0 109.6 24.2 229 -2.3 237 -2.3 0 0.0 0 0.0 12 58
234 A 245 VAL V H H X TS+ 0 0 -65.0 -37.1 179.1 47.6 113.4 27.5 230 -2.3 238 -1.9 0 0.0 0 0.0 15 65
235 A 246 VAL V H H X TS+ 0 0 -68.8 -43.3 179.3 50.0 111.5 23.1 231 -2.1 239 -1.9 0 0.0 0 0.0 11 66
236 A 247 GLU E H H X TS+ 0 0 -62.7 -36.6 178.8 49.8 111.0 30.0 232 -2.2 240 -1.0 0 0.0 0 0.0 10 52
237 A 248 ALA A H H X TS+ 0 0 -68.4 -38.4 179.4 56.6 106.2 27.0 233 -2.3 241 -0.7 0 0.0 0 0.0 13 55
238 A 249 ALA A H H X > TS+ 0 0 -58.3 -42.1 179.8 57.2 101.1 26.0 234 -1.9 241 -1.3 0 0.0 242 -0.7 12 59
239 A 250 ARG R H H < > TS+ 0 0 -56.3 -37.8 -178.8 49.1 106.8 30.8 235 -1.9 242 -0.6 0 0.0 0 0.0 9 45
240 A 251 ARG R H H < 3 TS+ 0 0 -79.6 -10.8 -179.4 52.4 110.0 54.7 236 -1.0 0 0.0 0 0.0 0 0.0 7 41
241 A 252 LEU L H H < < T 0 0 -104.5 -2.0 -179.3 999.9 999.9 63.8 238 -1.3 0 0.0 237 -0.7 0 0.0 8 43
242 A 253 LEU L h < < T 0 0 -69.5 999.9 999.9 999.9 999.9 104.9 238 -0.7 0 0.0 239 -0.6 0 0.0 6 36
1lx7A.pdb
1LX7 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STTT GGGGTT EEEEES GGGHHHHHH EEEEEETTEEEEEEEETTEEEEEE SSHHHHHHHHHHHHHTT EEEEEEEEEE STT T Kabs/Sand
chirality +-++-+--+++--+++---+-+-++++++++ -+-+--+--++-+-+----+----+----+-+++++++++++++-+++---++-+---+-++--+ chirality
bends SSSS SSSSSS S SSSSSSSS SS SSSS SSSSSSSSSSSSSSSSS SSS S bends
turns TTTTT TTTTTTTT TTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>>>3<< >33< >33< >33< >33< >33<>3 3-turns
bridge-2 bb DDDDDD DDDDDD eee**eeeee bridge-2
bridge-1 aaaaa CC*CCC CCCCC bb aaaaa bridge-1
sheets AAAAA AAAAAA AAAAAAAA AAAAAA AAAAAAAAAA sheets
4-turns >444< >444< >4>>X><<<< >>>>XXXXXXX<<<< 4-turns
summary tTTTt gGGGGgTteEEEEEegGGhHHHHHHh EEEEEETTEEEEEEEETTEEEEEEe ShHHHHHHHHHHHHHhTteEEEEEEEEEE tTTttT summary
sequence SDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHINV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEEEEEEE SGGGGTS TTS EE HHHHHHHHHHHHHTT EEEEEEEEES SSGGGT SSSS GGGTT TTT EE HHHHH TTT Kabs/Sand
chirality +----+----++-++++++--++--+---+++++++++++++-+----+------+-++++-+-++-+-+---++++ ++ ++++ ++- chirality
bends S S SSSSSSS SSS SSSSSSSSSSSSSS S S SSSSS SSSS SSSS S SSS SS bends
turns TT TTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< >555 5-turns
3-turns 3< >>><<< >33< >>3<< >>3<< >>3X<3< >33< 3-turns
bridge-2 GG HH ii bridge-2
bridge-1 ffff*fffff HH fffffffff ii bridge-1
sheets AAAAAAAAAA AA AAAAAAAAA AA sheets
4-turns >444< >>>>XXXXXXX<<<< >444< >444< >>>4<<< 4-turns
summary TeEEEEEEEEEE gGGGGgttTTt EEehHHHHHHHHHHHHHhTteEEEEEEEEEe SgGGGgt SSSS gGGGgTttTTTt eEEhHHHHHhtTTT summary
sequence GDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASSDTFYPGQERYDTYSGRVVRHFKGSEEWQAGVNYEESATLLTCASQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand T EEEEEEEEEETT SS S HHHHHHHHHHHHHHHHH Kabs/Sand
chirality +-+ --++--++-+----+ ++++++++++++++++ chirality
bends S SS SS S SSSSSSSSSSSSSSS bends
turns TT TTTT TTTTTTTTTTTTTTTTTTT turns
5-turns 5< 5-turns
3-turns >33< >>3<< 3-turns
bridge-2 GG bridge-2
bridge-1 eee*eee*ee bridge-1
sheets AAAAAAAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< 4-turns
summary TtEEEEEEEEEEeTtSS S hHHHHHHHHHHHHHHHHHh summary
sequence GLRAGVAGVIVNRTQQEIPNAETKQTESHAVKIVVEAARRLL sequence
210 220 230 240
Messages
chain break between 34(A 37 ) and 35(A 39 )
chain break between 179(A 183 ) and 180(A 185 )
chain break between 184(A 189 ) and 185(A 191 )
chain break between 186(A 192 ) and 187(A 194 )
chain break between 189(A 196 ) and 190(A 198 )
chain break between 196(A 204 ) and 197(A 206 )
chain break between 205(A 214 ) and 206(A 216 )
chain break between 223(A 233 ) and 224(A 235 )