Secondary structure calculation program - copyright by David Keith Smith, 1989
2cbf-.pdb
2CBF METHYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 234
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 18 GLY G t > T 0 0 999.9 51.3 -169.9 999.9 999.9 999.9 0 0.0 4 -1.7 0 0.0 0 0.0 3 21
2 19 SER S T T 3 T + 0 0 -75.7 2.8 161.4 70.3 999.9 38.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
3 20 HIS H T T 3 TS+ 0 0 -87.8 -23.7 175.8 77.2 80.9 31.2 0 0.0 5 -2.2 0 0.0 0 0.0 10 34
4 21 MET M S e < TS+ 0 0 -79.1 91.1 -165.1 104.2 81.2 121.9 1 -1.7 106 -1.9 0 0.0 0 0.0 11 37
5 22 LYS K E E Aa - 106 0 -167.1 137.7 174.8 -152.9 55.0 142.7 3 -2.2 79 -0.5 0 0.0 0 0.0 12 46
6 23 LEU L E E Aab - 107 79 -109.0 120.8 140.7 -163.7 11.1 168.7 106 -1.1 108 -1.8 0 0.0 0 0.0 11 58
7 24 TYR Y E E Aab - 108 80 -84.8 135.8 -179.2 -157.4 7.2 137.7 79 -1.1 81 -1.7 0 0.0 9 -0.7 11 58
8 25 ILE I E E Aab - 109 81 -105.8 98.7 176.2 -157.5 15.5 166.8 108 -1.9 110 -2.4 0 0.0 0 0.0 13 60
9 26 ILE I E E Aab - 110 82 -85.1 116.4 173.7 -142.8 13.1 147.6 81 -2.9 83 -1.4 7 -0.7 0 0.0 14 63
10 27 GLY G E E A b - 0 83 -71.9 119.9 -166.9 -164.7 18.2 141.1 110 -1.7 0 0.0 0 0.0 0 0.0 17 58
11 28 ALA A e - 0 0 -94.7 -9.2 173.3 -118.5 29.3 41.8 83 -2.9 0 0.0 0 0.0 0 0.0 18 63
12 29 GLY G B B A - 85 0 98.2 176.4 -170.6 -57.4 42.5 135.5 85 -1.5 85 -2.1 0 0.0 0 0.0 16 59
13 30 PRO P S S S- 0 0 -81.8 -15.1 176.8 -69.0 93.3 48.5 0 0.0 0 0.0 0 0.0 0 0.0 14 61
14 31 GLY G S S S+ 0 0 164.8 -65.4 168.9 101.1 99.6 96.5 0 0.0 0 0.0 0 0.0 0 0.0 15 56
15 32 ASP D S t > TS- 0 0 -45.6 144.2 -154.6 -125.7 72.0 107.8 0 0.0 18 -3.5 0 0.0 0 0.0 11 48
16 33 PRO P T T 3 TS+ 0 0 -87.6 -15.2 179.4 55.2 104.8 35.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
17 34 ASP D T T 3 TS+ 0 0 -106.1 3.8 160.7 76.8 82.1 51.4 0 0.0 0 0.0 0 0.0 0 0.0 5 38
18 35 LEU L S t < TS+ 0 0 -82.5 27.4 -168.0 109.9 72.0 83.3 15 -3.5 0 0.0 0 0.0 0 0.0 10 46
19 36 ILE I S S S- 0 0 -103.6 133.0 -178.9 -108.8 79.9 122.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
20 37 THR T h > T - 0 0 -62.3 177.0 -166.6 -108.2 25.1 129.3 0 0.0 24 -2.9 0 0.0 0 0.0 11 37
21 38 VAL V H H > TS+ 0 0 -70.2 -59.8 166.2 43.6 121.5 11.8 0 0.0 25 -1.5 0 0.0 0 0.0 6 25
22 39 LYS K H H > TS+ 0 0 -49.9 -32.7 -178.0 58.6 109.7 37.5 0 0.0 26 -1.1 0 0.0 0 0.0 7 33
23 40 GLY G H H > TS+ 0 0 -71.0 -36.1 178.0 49.7 106.0 27.7 0 0.0 27 -1.8 0 0.0 0 0.0 12 51
24 41 LEU L H H X TS+ 0 0 -67.4 -15.7 -162.1 55.1 106.7 37.8 20 -2.9 28 -1.7 0 0.0 0 0.0 9 47
25 42 LYS K H H < TS+ 0 0 -97.9 -31.7 -164.3 45.4 110.1 37.5 21 -1.5 0 0.0 0 0.0 0 0.0 8 39
26 43 LEU L H H X > TS+ 0 0 -82.8 -38.4 -169.3 55.6 109.0 19.7 22 -1.1 29 -2.2 0 0.0 30 -2.2 9 48
27 44 LEU L H H < 3 TS+ 0 0 -65.2 -28.2 180.0 52.5 106.6 19.9 23 -1.8 0 0.0 0 0.0 0 0.0 11 55
28 45 GLN Q T h < 3 TS+ 0 0 -74.5 -30.0 -164.9 38.2 115.0 54.0 24 -1.7 0 0.0 0 0.0 0 0.0 9 39
29 46 GLN Q T T 4 < TS+ 0 0 -115.1 -8.5 -178.8 116.6 85.3 45.2 26 -2.2 0 0.0 0 0.0 0 0.0 9 38
30 47 ALA A t < T - 0 0 -66.0 135.4 155.9 -160.9 47.4 85.5 26 -2.2 0 0.0 0 0.0 0 0.0 14 46
31 48 ASP D S e S+ 0 0 -66.8 -53.6 177.1 31.5 86.4 45.3 78 -1.6 53 -3.2 0 0.0 33 -0.5 11 43
32 49 VAL V E E Acd S- 53 79 -114.1 114.5 173.0 -168.6 72.8 168.9 78 -2.1 80 -1.4 0 0.0 0 0.0 13 49
33 50 VAL V E E Acd - 54 80 -94.5 117.2 177.5 -162.4 3.9 169.5 53 -2.3 55 -1.6 31 -0.5 35 -0.6 15 58
34 51 LEU L E E Acd - 55 81 -102.7 99.9 176.1 -171.5 4.4 160.4 80 -1.3 82 -2.0 0 0.0 36 -0.9 12 65
35 52 TYR Y E E Acd - 56 82 -96.0 99.5 176.3 -174.2 3.4 150.6 55 -1.0 57 -1.2 33 -0.6 37 -0.5 13 57
36 53 ALA A E E Ac + 57 0 -90.3 124.4 -175.0 39.1 56.7 145.0 34 -0.9 0 0.0 82 -0.6 0 0.0 10 48
37 54 ASP D S e S- 0 0 112.6 135.5 172.3 -119.8 75.8 96.3 57 -1.2 39 -0.7 35 -0.5 0 0.0 10 43
38 55 SER S S S S+ 0 0 -118.9 85.3 -159.2 90.7 91.3 165.0 0 0.0 0 0.0 0 0.0 0 0.0 5 37
39 56 LEU L + 0 0 179.5 17.5 164.0 94.9 62.8 74.7 37 -0.7 0 0.0 0 0.0 0 0.0 7 52
40 57 VAL V S S S- 0 0 -114.0 148.5 175.4 -103.4 79.3 132.8 0 0.0 0 0.0 0 0.0 0 0.0 13 55
41 58 SER S h > > T - 0 0 -83.2 157.0 -163.6 -133.9 10.6 132.5 0 0.0 44 -3.5 0 0.0 45 -2.7 9 42
42 59 GLN Q H H > 3 TS+ 0 0 -76.8 -45.1 160.9 57.7 115.4 11.2 0 0.0 46 -3.0 0 0.0 0 0.0 6 35
43 60 ASP D H H 4 3 TS+ 0 0 -63.8 -7.7 161.1 41.3 104.7 55.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
44 61 LEU L H H 4 X TS+ 0 0 -81.1 -45.4 -161.7 61.1 113.5 23.8 41 -3.5 47 -4.3 0 0.0 0 0.0 10 53
45 62 ILE I H H < > TS+ 0 0 -51.7 -34.1 -168.7 54.6 100.2 39.1 41 -2.7 48 -1.5 0 0.0 0 0.0 8 50
46 63 ALA A T h < 3 TS+ 0 0 -92.8 -3.7 165.1 76.3 83.7 59.7 42 -3.0 0 0.0 0 0.0 0 0.0 6 37
47 64 LYS K T T < T + 0 0 -82.9 20.6 176.7 106.0 70.0 47.0 44 -4.3 0 0.0 0 0.0 0 0.0 8 40
48 65 SER S S t < TS- 0 0 -88.4 160.0 177.7 -90.9 83.8 106.2 45 -1.5 0 0.0 0 0.0 0 0.0 11 40
49 66 LYS K t > T - 0 0 -63.1 169.8 178.8 -95.8 41.1 88.7 0 0.0 52 -1.3 0 0.0 0 0.0 9 29
50 67 PRO P T T 3 TS+ 0 0 -74.0 128.9 -171.9 44.3 116.8 139.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
51 68 GLY G T T 3 TS+ 0 0 127.2 -49.8 -165.9 133.0 80.1 113.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
52 69 ALA A t < T - 0 0 -47.7 137.8 177.0 -132.7 57.2 91.7 49 -1.3 54 -0.5 0 0.0 0 0.0 10 33
53 70 GLU E E E Ac - 32 0 -84.5 130.3 168.2 -157.0 26.8 155.6 31 -3.2 33 -2.3 0 0.0 0 0.0 7 34
54 71 VAL V E E Ac - 33 0 -92.7 118.7 173.8 -176.9 12.8 140.4 52 -0.5 0 0.0 0 0.0 0 0.0 8 43
55 72 LEU L E E Ac - 34 0 -113.8 138.6 172.4 -145.2 20.0 129.5 33 -1.6 35 -1.0 0 0.0 57 -0.7 8 42
56 73 LYS K E E Ac + 35 0 -96.9 130.7 171.0 179.1 25.7 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
57 74 THR T E E Ac + 36 0 -115.1 176.1 -179.9 85.5 45.6 133.2 35 -1.2 37 -1.2 55 -0.7 0 0.0 10 37
58 75 ALA A S S S+ 0 0 124.3 -48.8 178.6 54.4 95.7 112.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
59 76 GLY G S S S+ 0 0 -95.8 8.2 175.6 93.5 94.5 81.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
60 77 MET M S S S- 0 0 -94.4 162.9 -176.2 -113.6 82.0 124.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
61 78 HIS H h > > T - 0 0 -117.0 135.6 -172.1 -108.2 24.2 155.3 0 0.0 64 -1.6 0 0.0 65 -1.2 7 22
62 79 LEU L H H > > TS+ 0 0 -17.6 -88.6 -177.7 41.7 114.9 59.1 0 0.0 66 -2.3 0 0.0 65 -0.7 7 25
63 80 GLU E H H > 3 TS+ 0 0 -46.0 -33.2 172.8 51.5 114.8 33.5 0 0.0 67 -2.2 0 0.0 0 0.0 6 25
64 81 GLU E H H > < TS+ 0 0 -61.5 -43.4 -178.6 50.8 109.8 28.3 61 -1.6 68 -2.4 0 0.0 0 0.0 8 24
65 82 MET M H H X < TS+ 0 0 -57.6 -49.7 178.1 48.6 112.0 20.2 61 -1.2 69 -2.9 62 -0.7 0 0.0 10 41
66 83 VAL V H H X TS+ 0 0 -60.4 -51.2 178.4 45.5 111.1 4.0 62 -2.3 70 -2.5 0 0.0 0 0.0 11 48
67 84 GLY G H H X TS+ 0 0 -62.7 -44.3 -174.5 56.3 109.3 17.9 63 -2.2 71 -2.5 0 0.0 0 0.0 8 36
68 85 THR T H H X TS+ 0 0 -57.0 -49.3 176.2 45.9 110.4 14.5 64 -2.4 72 -1.9 0 0.0 0 0.0 8 44
69 86 MET M H H X TS+ 0 0 -54.7 -53.6 164.6 49.3 113.0 28.1 65 -2.9 73 -2.0 0 0.0 0 0.0 9 57
70 87 LEU L H H X TS+ 0 0 -46.9 -42.5 169.4 53.1 109.3 12.4 66 -2.5 74 -3.2 0 0.0 0 0.0 9 42
71 88 ASP D H H X TS+ 0 0 -56.9 -47.5 -176.2 45.4 111.6 25.8 67 -2.5 75 -1.3 0 0.0 0 0.0 8 32
72 89 ARG R H H < >TS+ 0 0 -67.7 -35.5 -176.2 51.4 112.1 30.7 68 -1.9 77 -1.5 0 0.0 0 0.0 12 37
73 90 MET M H H < >5TS+ 0 0 -64.3 -46.1 -172.7 51.9 108.0 6.1 69 -2.0 76 -3.5 0 0.0 0 0.0 13 37
74 91 ARG R H H < 35TS+ 0 0 -61.1 -24.9 -177.1 64.3 101.6 30.7 70 -3.2 0 0.0 0 0.0 0 0.0 9 26
75 92 GLU E T h < 35TS- 0 0 -76.5 -5.2 -170.8 -111.1 119.9 58.8 71 -1.3 0 0.0 0 0.0 0 0.0 6 23
76 93 GLY G T T <5TS+ 0 0 86.3 5.2 -179.5 136.3 71.9 75.0 73 -3.5 0 0.0 0 0.0 0 0.0 8 26
77 94 LYS K t T - 0 0 -111.9 133.0 176.9 -138.5 60.5 153.8 0 0.0 89 -1.8 0 0.0 0 0.0 14 46
87 104 PRO P T T 3 TS+ 0 0 -66.8 0.2 -166.9 73.5 94.1 64.3 0 0.0 0 0.0 0 0.0 0 0.0 15 48
88 105 ALA A T T 3 TS+ 0 0 -87.8 -11.9 -162.8 73.7 85.3 64.4 0 0.0 90 -0.8 0 0.0 0 0.0 7 37
89 106 MET M S t < TS- 0 0 -109.1 100.6 -179.2 -34.1 131.5 137.2 86 -1.8 0 0.0 0 0.0 0 0.0 7 39
90 107 TYR Y S S S+ 0 0 55.8 49.0 -178.2 138.6 98.0 35.5 88 -0.8 0 0.0 0 0.0 0 0.0 5 45
91 108 GLY G - 0 0 -82.3 -46.1 -159.8 -145.8 51.6 26.1 0 0.0 0 0.0 0 0.0 0 0.0 8 45
92 109 ALA A + 0 0 61.5 59.6 -166.9 131.8 55.2 31.5 0 0.0 0 0.0 0 0.0 0 0.0 7 36
93 110 ILE I h > T + 0 0 -111.9 -8.5 -169.4 88.1 45.1 64.7 0 0.0 97 -2.5 0 0.0 0 0.0 8 47
94 111 MET M H H > TS+ 0 0 -61.3 -40.8 -165.8 40.1 86.2 34.9 0 0.0 98 -1.8 0 0.0 0 0.0 6 32
95 112 GLU E H H > TS+ 0 0 -81.9 -46.9 -177.8 51.3 115.7 19.3 0 0.0 99 -2.9 0 0.0 0 0.0 7 30
96 113 GLN Q H H > TS+ 0 0 -51.1 -50.0 -173.0 56.1 109.5 15.1 0 0.0 100 -1.9 0 0.0 0 0.0 9 46
97 114 MET M H H X > TS+ 0 0 -45.5 -71.9 -174.0 42.2 108.7 25.6 93 -2.5 101 -2.2 0 0.0 100 -2.1 9 40
98 115 VAL V H H X > TS+ 0 0 -50.9 -38.6 -179.0 50.6 114.2 16.4 94 -1.8 102 -1.5 0 0.0 101 -0.7 8 28
99 116 LEU L H H X 3 TS+ 0 0 -60.4 -33.1 -154.9 49.8 113.4 26.2 95 -2.9 103 -0.7 0 0.0 0 0.0 9 29
100 117 LEU L H H < <>TS+ 0 0 -77.5 -43.0 -164.2 53.4 104.2 39.0 97 -2.1 105 -1.8 96 -1.9 0 0.0 12 39
101 118 LYS K H H < X5TS+ 0 0 -75.0 -31.8 151.4 62.4 100.3 31.2 97 -2.2 104 -1.0 98 -0.7 0 0.0 10 30
102 119 ARG R H H < 35TS+ 0 0 -33.9 -61.8 176.7 49.8 102.7 24.8 98 -1.5 0 0.0 0 0.0 0 0.0 7 21
103 120 GLU E T h < 35TS- 0 0 -71.0 17.1 -160.6 -105.2 131.3 72.2 99 -0.7 0 0.0 0 0.0 0 0.0 6 29
104 121 GLY G T T <5T + 0 0 43.7 53.3 -173.4 162.9 63.1 36.0 101 -1.0 0 0.0 0 0.0 0 0.0 7 26
105 122 VAL V t > T - 0 0 -69.1 154.0 -173.5 -114.7 22.3 107.1 112 -0.9 118 -1.8 0 0.0 117 -0.8 13 57
115 132 SER S H H > 3 TS+ 0 0 -75.0 -20.2 162.2 73.9 110.0 41.4 0 0.0 119 -3.3 0 0.0 0 0.0 11 68
116 133 VAL V H H > 3 TS+ 0 0 -29.4 -58.0 -166.1 39.2 105.3 20.1 0 0.0 120 -2.7 0 0.0 0 0.0 8 62
117 134 PHE F H H > < TS+ 0 0 -75.3 -48.8 163.5 54.3 110.6 34.7 114 -0.8 121 -1.4 0 0.0 0 0.0 8 57
118 135 ALA A H H X TS+ 0 0 -56.9 -52.2 177.4 51.2 110.1 17.9 114 -1.8 122 -1.5 0 0.0 0 0.0 12 51
119 136 ALA A H H X > TS+ 0 0 -55.1 -46.7 -167.9 48.5 109.0 22.2 115 -3.3 123 -1.5 0 0.0 122 -0.7 13 56
120 137 ALA A H H < 3>TS+ 0 0 -61.0 -32.6 -170.1 53.0 111.9 34.0 116 -2.7 125 -2.4 0 0.0 0 0.0 12 52
121 138 ALA A H H < >5TS+ 0 0 -64.8 -45.0 -179.0 51.1 105.2 41.3 117 -1.4 124 -0.8 0 0.0 0 0.0 9 40
122 139 ALA A H H < <5TS+ 0 0 -66.9 -52.7 -166.2 42.0 116.1 29.9 118 -1.5 0 0.0 119 -0.7 0 0.0 11 40
123 140 ALA A T h < 35TS- 0 0 -70.5 -22.2 -160.4 -124.3 109.7 103.7 119 -1.5 0 0.0 0 0.0 0 0.0 9 42
124 141 GLU E T T <5T + 0 0 63.4 47.9 176.8 143.0 59.7 19.6 121 -0.8 0 0.0 0 0.0 0 0.0 6 34
125 142 ALA A t B > T - 133 0 -132.3 115.1 -177.5 -117.3 33.1 153.2 133 -1.6 133 -2.6 0 0.0 132 -1.0 9 24
130 147 PRO P T T 4 3 TS+ 0 0 -50.9 144.8 -164.2 15.0 102.3 83.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
131 148 ASP D T T 4 3 TS+ 0 0 63.2 -5.9 -168.2 61.8 127.5 68.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
132 149 LEU L T T 4 < TS- 0 0 -120.6 -68.7 179.2 -26.3 115.9 31.7 129 -1.0 0 0.0 0 0.0 0 0.0 9 25
133 150 THR T B B < B T - 129 0 -154.7 148.3 -179.1 -175.6 36.2 177.3 129 -2.6 129 -1.6 0 0.0 0 0.0 10 29
134 151 GLN Q + 0 0 -122.3 -0.2 -177.1 78.0 67.7 79.0 0 0.0 0 0.0 0 0.0 0 0.0 9 23
135 152 THR T e - 0 0 -112.1 129.2 173.7 -165.3 52.5 158.8 0 0.0 162 -0.6 0 0.0 137 -0.5 7 29
136 153 VAL V E E Be - 162 0 -118.7 134.8 177.0 -156.4 12.3 172.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
137 154 ILE I E E Be - 163 0 -102.1 113.9 -170.6 -164.0 4.3 165.9 162 -1.8 164 -2.1 135 -0.5 139 -0.6 9 43
138 155 LEU L E E Be + 164 0 -110.5 114.1 175.0 124.9 33.2 156.8 0 0.0 0 0.0 0 0.0 0 0.0 8 50
139 156 THR T E E Be - 165 0 -142.5 -159.6 179.1 -108.9 48.4 149.6 164 -2.5 166 -2.2 137 -0.6 0 0.0 8 51
140 157 ARG R E E Be - 166 0 -140.0 154.5 -179.6 -110.4 29.3 164.8 0 0.0 0 0.0 0 0.0 0 0.0 8 50
141 158 ALA A e - 0 0 -73.2 144.0 168.4 -111.1 40.6 120.0 166 -0.7 143 -0.6 0 0.0 0 0.0 13 47
142 159 GLU E + 0 0 -71.2 133.3 170.1 160.3 48.2 134.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
143 160 GLY G S S S- 0 0 -112.8 -119.2 -179.0 -36.5 70.7 51.9 145 -1.0 0 0.0 141 -0.6 0 0.0 7 28
144 161 ARG R S S S+ 0 0 -67.2 -67.4 151.1 66.4 132.2 25.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
145 162 THR T S S S- 0 0 -34.0 97.9 168.0 -139.6 90.8 116.4 0 0.0 143 -1.0 0 0.0 0 0.0 5 20
146 163 PRO P - 0 0 -64.3 163.9 -170.5 -129.9 12.7 101.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
147 164 VAL V - 0 0 -117.0 161.3 172.9 -67.8 43.6 134.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
148 165 PRO P g > T - 0 0 -55.3 151.2 -164.7 -110.6 52.2 81.8 0 0.0 151 -1.1 0 0.0 0 0.0 6 18
149 166 GLU E G G > TS+ 0 0 -65.8 -39.8 179.4 47.9 111.9 28.5 0 0.0 152 -0.9 0 0.0 0 0.0 5 17
150 167 PHE F G G 3 TS+ 0 0 -100.9 53.2 -169.6 62.9 104.5 90.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19
151 168 GLU E G G < T + 0 0 -146.4 8.7 -172.1 146.4 64.4 78.5 148 -1.1 0 0.0 0 0.0 0 0.0 8 28
152 169 LYS K h > < T - 0 0 -54.8 152.9 172.3 -119.4 57.8 103.8 149 -0.9 156 -2.1 0 0.0 0 0.0 10 37
153 170 LEU L H H > TS+ 0 0 -57.0 -50.2 169.6 55.9 111.3 22.6 0 0.0 157 -2.4 0 0.0 0 0.0 10 50
154 171 THR T H H 4 TS+ 0 0 -41.7 -63.2 171.6 40.9 112.6 30.9 0 0.0 0 0.0 0 0.0 0 0.0 10 43
155 172 ASP D H H 4 > TS+ 0 0 -54.8 -45.6 154.7 48.7 115.1 34.3 0 0.0 158 -0.9 0 0.0 0 0.0 9 33
156 173 LEU L H H < > TS+ 0 0 -54.9 -35.3 168.6 60.2 108.4 17.0 152 -2.1 159 -1.6 0 0.0 0 0.0 9 41
157 174 ALA A G h < > TS+ 0 0 -69.2 -10.0 173.2 77.3 85.2 67.2 153 -2.4 160 -1.4 0 0.0 0 0.0 13 47
158 175 LYS K G G < TS+ 0 0 -73.9 -16.1 160.7 65.0 81.1 49.4 155 -0.9 0 0.0 0 0.0 0 0.0 8 32
159 176 HIS H G G < TS- 0 0 -69.0 -11.6 -177.7 -142.9 97.5 53.8 156 -1.6 0 0.0 0 0.0 0 0.0 5 37
160 177 LYS K g < T + 0 0 55.3 35.5 -176.2 132.8 53.4 54.1 157 -1.4 0 0.0 0 0.0 0 0.0 7 45
161 178 CYS C S S S- 0 0 -110.7 166.4 168.7 -63.6 71.6 116.2 0 0.0 0 0.0 0 0.0 0 0.0 13 43
162 179 THR T E E Be - 136 0 -41.5 123.6 175.3 -162.2 52.8 94.0 135 -0.6 137 -1.8 0 0.0 0 0.0 15 56
163 180 ILE I E E BeF - 137 228 -112.6 123.2 -173.4 -162.6 2.3 168.5 228 -2.0 228 -2.2 0 0.0 165 -0.6 12 64
164 181 ALA A E E BeF - 138 227 -118.8 116.4 -173.4 -152.1 10.0 165.7 137 -2.1 139 -2.5 0 0.0 166 -0.8 13 67
165 182 LEU L E E Be > T - 139 0 -102.3 104.7 167.3 -168.8 9.3 137.4 226 -3.3 168 -0.7 163 -0.6 0 0.0 12 63
166 183 PHE F E E Be 3 TS+ 140 0 -74.2 164.9 -171.3 9.2 72.1 108.5 139 -2.2 141 -0.7 164 -0.8 0 0.0 12 56
167 184 LEU L T T 3 TS+ 0 0 27.6 42.0 178.4 103.9 97.6 51.3 0 0.0 0 0.0 0 0.0 0 0.0 10 50
168 185 SER S g X T + 0 0 -121.8 17.7 -162.5 120.0 26.8 100.7 165 -0.7 171 -1.7 0 0.0 0 0.0 13 52
169 186 SER S G G > TS+ 0 0 -58.3 -35.3 -176.7 44.8 82.8 26.3 0 0.0 172 -0.6 0 0.0 0 0.0 14 52
170 187 THR T G G 3 TS+ 0 0 -103.8 40.4 176.7 67.2 103.0 94.1 0 0.0 0 0.0 0 0.0 0 0.0 7 38
171 188 LEU L G h > < T + 0 0 -138.2 17.0 173.1 125.0 55.0 90.3 168 -1.7 175 -2.0 0 0.0 0 0.0 10 46
172 189 THR T H H > < T + 0 0 -61.9 -3.7 169.7 62.9 67.6 35.8 169 -0.6 176 -1.7 0 0.0 0 0.0 11 54
173 190 LYS K H H > TS+ 0 0 -80.6 -49.9 173.7 40.0 108.9 8.8 0 0.0 177 -1.3 0 0.0 0 0.0 9 37
174 191 LYS K H H > TS+ 0 0 -57.9 -43.3 -171.3 62.0 111.1 33.7 0 0.0 178 -2.2 0 0.0 0 0.0 8 43
175 192 VAL V H H X TS+ 0 0 -53.0 -54.2 174.0 40.5 108.1 15.3 171 -2.0 179 -2.1 0 0.0 0 0.0 10 64
176 193 MET M H H X TS+ 0 0 -58.9 -35.4 -177.1 55.7 113.5 37.8 172 -1.7 180 -2.0 0 0.0 0 0.0 12 54
177 194 LYS K H H X > TS+ 0 0 -68.3 -66.5 -175.5 42.4 110.4 14.9 173 -1.3 181 -2.5 0 0.0 180 -1.5 8 38
178 195 GLU E H H X 3 TS+ 0 0 -51.8 -33.8 -179.1 52.1 114.3 46.3 174 -2.2 182 -2.7 0 0.0 0 0.0 11 43
179 196 PHE F H H < 3>TS+ 0 0 -66.6 -35.7 -178.1 45.4 113.1 17.7 175 -2.1 184 -2.5 0 0.0 0 0.0 13 51
180 197 ILE I H H < X5TS+ 0 0 -76.4 -46.8 175.1 52.5 110.0 20.3 176 -2.0 183 -1.8 177 -1.5 0 0.0 10 36
181 198 ASN N H H < 35TS+ 0 0 -61.3 -29.5 175.8 54.1 106.9 11.7 177 -2.5 0 0.0 0 0.0 0 0.0 8 26
182 199 ALA A T h < 35TS- 0 0 -83.7 -2.8 156.2 -111.8 123.4 55.6 178 -2.7 0 0.0 0 0.0 0 0.0 10 31
183 200 GLY G T T <5T + 0 0 102.6 38.3 -177.0 157.5 60.0 32.6 180 -1.8 0 0.0 0 0.0 0 0.0 7 28
184 201 TRP W t T - 0 0 -61.6 159.9 -175.6 -126.0 23.8 101.7 0 0.0 188 -2.5 0 0.0 0 0.0 7 34
186 203 GLU E T T 3 TS+ 0 0 -89.4 1.2 -179.3 55.1 111.4 45.1 0 0.0 209 -1.4 0 0.0 0 0.0 8 34
187 204 ASP D T T 3 TS+ 0 0 -102.7 -5.1 -165.2 124.8 73.7 65.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
188 205 THR T S e < TS- 0 0 -69.3 147.0 168.8 -96.0 72.7 127.0 185 -2.5 208 -2.3 0 0.0 0 0.0 12 43
189 206 PRO P E E BG - 207 0 -52.8 135.7 159.5 -168.3 38.2 88.1 0 0.0 229 -1.8 0 0.0 0 0.0 13 48
190 207 VAL V E E BGH - 206 228 -110.2 119.6 173.1 -170.2 1.1 172.4 206 -1.8 206 -2.0 0 0.0 192 -0.5 14 60
191 208 VAL V E E BGH - 205 227 -113.1 133.8 176.7 -164.7 4.7 160.1 227 -4.4 227 -1.5 0 0.0 193 -0.6 14 62
192 209 VAL V E E BGH - 204 226 -99.6 136.1 156.5 -162.0 1.6 149.0 204 -2.4 204 -1.6 190 -0.5 0 0.0 14 67
193 210 VAL V E E BGH - 203 225 -105.1 126.0 -159.8 -162.7 6.8 144.9 225 -1.5 225 -3.7 191 -0.6 0 0.0 15 59
194 211 TYR Y E E BGH S- 202 224 -105.7 109.7 179.8 -18.2 73.1 156.4 202 -2.6 202 -2.1 0 0.0 0 0.0 14 52
195 212 LYS K S e > TS- 0 0 49.9 51.2 171.1 -147.7 86.2 41.5 223 -2.7 198 -2.2 0 0.0 0 0.0 11 52
196 213 ALA A T T 3 TS+ 0 0 -57.8 122.1 -177.1 8.1 78.0 81.0 0 0.0 0 0.0 0 0.0 0 0.0 15 53
197 214 THR T T T 3 TS+ 0 0 69.2 -0.9 154.8 119.9 101.6 72.0 0 0.0 0 0.0 0 0.0 0 0.0 10 44
198 215 TRP W S t X TS- 0 0 -70.3 161.2 -172.0 -118.0 77.7 101.6 195 -2.2 201 -1.9 0 0.0 0 0.0 8 42
199 216 PRO P T T 3 TS+ 0 0 -80.9 -7.3 172.0 54.1 119.8 27.5 0 0.0 0 0.0 0 0.0 0 0.0 4 27
200 217 ASP D T T 3 TS+ 0 0 -92.1 8.2 -170.4 151.7 86.4 84.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
201 218 GLU E t < T - 0 0 -53.0 139.6 174.3 -164.6 27.1 103.0 198 -1.9 0 0.0 0 0.0 0 0.0 10 36
202 219 LYS K E E BG - 194 0 -131.3 140.3 -172.5 -167.5 10.7 174.0 194 -2.1 194 -2.6 0 0.0 0 0.0 9 42
203 220 ILE I E E BG - 193 0 -107.8 108.6 -165.1 -180.0 11.7 152.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48
204 221 VAL V E E BG - 192 0 -115.7 123.3 166.6 -164.9 8.9 155.1 192 -1.6 192 -2.4 0 0.0 0 0.0 10 48
205 222 ARG R E E BG + 191 0 -99.1 143.3 -159.3 130.2 33.9 144.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
206 223 THR T E E BG - 190 0 -169.8 -158.8 176.4 -104.7 46.2 123.1 190 -2.0 190 -1.8 0 0.0 0 0.0 11 42
207 224 THR T E E BG > T - 189 0 -146.2 176.6 177.5 -88.9 35.5 162.8 0 0.0 210 -1.1 0 0.0 0 0.0 12 44
208 225 VAL V G e > TS+ 0 0 -54.2 -53.2 167.8 52.2 123.1 24.7 188 -2.3 211 -2.2 0 0.0 0 0.0 13 51
209 226 LYS K G T 3 TS+ 0 0 -41.3 -36.1 -168.8 36.2 118.2 40.8 186 -1.4 0 0.0 0 0.0 0 0.0 8 36
210 227 ASP D G h > < TS+ 0 0 -102.3 -1.1 -159.9 108.2 83.8 86.0 207 -1.1 214 -2.0 0 0.0 0 0.0 8 39
211 228 LEU L H H > < TS+ 0 0 -44.8 -72.4 -179.7 40.4 83.1 11.2 208 -2.2 215 -2.8 0 0.0 0 0.0 13 51
212 229 ASP D H H > TS+ 0 0 -48.3 -46.6 170.4 51.6 115.9 29.7 0 0.0 216 -2.2 0 0.0 0 0.0 10 44
213 230 ASP D H H > TS+ 0 0 -55.5 -43.3 178.9 48.7 110.6 8.2 0 0.0 217 -2.5 0 0.0 0 0.0 7 32
214 231 ALA A H H X TS+ 0 0 -56.9 -45.8 -179.9 51.0 111.9 37.0 210 -2.0 218 -2.2 0 0.0 0 0.0 11 40
215 232 MET M H H < >TS+ 0 0 -60.1 -51.6 -167.9 40.6 113.4 15.7 211 -2.8 220 -1.7 0 0.0 0 0.0 12 44
216 233 ARG R H H < 5TS+ 0 0 -76.5 -25.7 167.4 49.1 116.8 35.0 212 -2.2 0 0.0 0 0.0 0 0.0 9 34
217 234 THR T H H < 5TS+ 0 0 -74.4 -38.4 178.7 43.7 115.5 39.7 213 -2.5 0 0.0 0 0.0 0 0.0 6 23
218 235 ASN N T h < 5TS- 0 0 -79.9 3.8 -144.7 -134.4 106.5 74.2 214 -2.2 0 0.0 0 0.0 0 0.0 7 31
219 236 GLY G T T 5T + 0 0 16.6 44.3 -175.5 156.0 47.7 36.7 0 0.0 221 -1.0 0 0.0 0 0.0 7 29
220 237 ILE I t TS- 0 0 131.8 148.1 -179.1 -76.8 83.5 111.7 189 -1.8 232 -1.6 0 0.0 0 0.0 13 63
230 247 TRP W G G > TS+ 0 0 -63.5 -13.3 173.8 71.0 115.6 51.3 0 0.0 233 -1.4 0 0.0 0 0.0 10 47
231 248 ALA A G G 3 TS+ 0 0 -75.2 -21.6 176.3 58.4 93.0 44.6 0 0.0 0 0.0 0 0.0 0 0.0 13 45
232 249 LEU L G G < TS+ 0 0 -81.7 8.6 176.7 78.5 95.5 68.6 229 -1.6 0 0.0 0 0.0 0 0.0 12 48
233 250 ASP D g < T 0 0 -88.6 -165.7 170.5 999.9 999.9 123.8 230 -1.4 0 0.0 0 0.0 0 0.0 7 36
234 251 PRO P 0 0 -135.4 999.9 999.9 999.9 999.9 59.1 0 0.0 0 0.0 0 0.0 0 0.0 3 24
2cbf-.pdb
2CBF METHYLTRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTSEEEEEE BSSSTTSS HHHHHHHTT SEEEEESS S HHHHTTS TT EEEEESSS HHHHHHHHHHHHHTT EEEEESB TTSS HHHHHHH Kabs/Sand
chirality +++---------+-+++--+++++++++-+----+-++--++++++--++----++++--+++++++++++++-+--+--+----++-+-+++++++++ chirality
bends SS SSSSSSS SSSSSSSSS SS SS S SSSSS S SS SSS SSSSSSSSSSSSSSS SS SSSS SSSSSSS bends
turns TTTT TTTT TTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTT turns
5-turns >5555< > 5-turns
3-turns >33< >33< >33< >33X>3<<>33< >>3<< >33< >33< >>3< 3-turns
bridge-2 bbbbb dddd dddd bridge-2
bridge-1 aaaaa A ccccc ccccc bbbbb A bridge-1
sheets AAAAAA AAAAA AAAAA AAAAA sheets
4-turns >>>>X>44<< >>>>XXXXXXX<<<< >>>>XXX< 4-turns
summary tTTeEEEEEEeBSStTTtShHHHHHHHhTteEEEEEeS ShHHHHhTttTTtEEEEESSShHHHHHHHHHHHHHhTteEEEEESBtTTtS hHHHHHHH summary
sequence GSHMKLYIIGAGPGDPDLITVKGLKLLQQADVVLYADSLVSQDLIAKSKPGAEVLKTAGMHLEEMVGTMLDRMREGKMVVRVHTGDPAMYGAIMEQMVLL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHTT EEEEE HHHHHHHHTT S BTTTB EEEEE SSS GGG HHHHGGG SEEEEET GGGHHHHHHHHHHTT TTSEEEEEESTTSTT Kabs/Sand
chirality ++-+----------++++++++-+--+--++--+---+---+-+----+++-++++++-+-----++++++++++++++++-+--++--------++-++ chirality
bends SSS SSSSSSSSS S SSS SSS SS SSSSSSS S SS SS SSSSSSSSSS SSS SSSSSSS bends
turns TTTTT TTTTTTTTTTTT TTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTT turns
5-turns 5555< >5555< >5555< 5-turns
3-turns X33< >33< >3><3< >33< >>3<< >>><<< >33X>3<< >33X33< >33< >33X33 3-turns
bridge-2 FF HHHHH bridge-2
bridge-1 aaaaa B B eeeee eeeee GGGGGG bridge-1
sheets AAAAA BBBBB BBBBB BBBBBB sheets
4-turns <<< >>>>XX<<<< >444< >>44<< >>>>XXXX<<<< 4-turns
summary HHhTtEEEEE hHHHHHHHHhTt S BTTTB eEEEEEe SSS gGGGhHHHHhGGgSEEEEETgGGhHHHHHHHHHHhTttTTeEEEEEEeTTtTT summary
sequence KREGVDIEIVPGVTSVFAAAAAAEAELTIPDLTQTVILTRAEGRTPVPEFEKLTDLAKHKCTIALFLSSTLTKKVMKEFINAGWSEDTPVVVVYKATWPD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEGGGHHHHHHHTT SSEEEEESGGG Kabs/Sand
chirality ----+--++++++++++-+++++----+-+++ chirality
bends SSSSSSSSSSS SS SSSS bends
turns T TTTTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns < >>3<< >>3<< 3-turns
bridge-2 HHHHH bridge-2
bridge-1 GGGGGG FF bridge-1
sheets BBBBBB BBBBB sheets
4-turns >>>>X<<<< 4-turns
summary tEEEEEEeThHHHHHHHhTt SeEEEEEeGGGg summary
sequence EKIVRTTVKDLDDAMRTNGIRKQAMILAGWALDP sequence
210 220 230