Secondary structure calculation program - copyright by David Keith Smith, 1989
1cl1A.pdb
1CL1 METHIONINE BIOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 390
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 5 LYS K h > T 0 0 999.9 -0.2 178.5 999.9 999.9 999.9 0 0.0 5 -2.5 0 0.0 0 0.0 4 18
2 A 6 LEU L H H > T + 0 0 -58.0 -46.3 -179.9 51.7 999.9 20.5 0 0.0 6 -3.0 0 0.0 0 0.0 6 34
3 A 7 ASP D H H > TS+ 0 0 -57.4 -39.6 178.9 49.0 110.3 27.2 0 0.0 7 -1.7 0 0.0 0 0.0 7 30
4 A 8 THR T H H > TS+ 0 0 -67.6 -40.5 177.9 49.3 111.4 27.1 0 0.0 8 -1.5 0 0.0 0 0.0 7 20
5 A 9 GLN Q H H X TS+ 0 0 -63.8 -46.1 -179.8 53.7 107.9 22.0 1 -2.5 9 -2.8 0 0.0 0 0.0 9 33
6 A 10 LEU L H H < TS+ 0 0 -56.9 -40.6 179.8 48.2 109.7 29.0 2 -3.0 0 0.0 0 0.0 0 0.0 13 44
7 A 11 VAL V H H < TS+ 0 0 -70.3 -31.3 -176.6 31.3 123.3 33.8 3 -1.7 0 0.0 0 0.0 0 0.0 9 36
8 A 12 ASN N H H < > TS+ 0 0 -105.4 -15.8 -178.3 125.6 80.7 50.4 4 -1.5 11 -2.1 0 0.0 0 0.0 7 37
9 A 13 ALA A T h < 3 TS- 0 0 -52.1 123.1 178.9 -3.0 88.0 102.2 5 -2.8 0 0.0 0 0.0 0 0.0 11 48
10 A 14 GLY G T T 3 TS+ 0 0 75.5 3.4 -178.4 125.4 92.8 65.5 0 0.0 12 -0.8 0 0.0 0 0.0 10 51
11 A 15 ARG R t < T + 0 0 -93.2 51.0 178.4 150.9 28.3 103.3 8 -2.1 0 0.0 0 0.0 0 0.0 12 42
12 A 16 SER S h > > T - 0 0 -74.0 155.5 179.2 -115.5 58.9 114.4 10 -0.8 16 -1.8 0 0.0 15 -1.7 7 31
13 A 17 LYS K H H > 3 TS+ 0 0 -61.7 -27.4 179.0 70.7 113.7 36.7 0 0.0 17 -2.7 0 0.0 0 0.0 7 23
14 A 18 LYS K H H 4 3 TS+ 0 0 -57.6 -30.6 -179.0 31.9 110.3 38.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
15 A 19 TYR Y H H 4 < TS+ 0 0 -98.7 -31.6 -178.3 40.2 125.6 42.5 12 -1.7 23 -2.8 0 0.0 0 0.0 12 38
16 A 20 THR T H H < > TS- 0 0 -89.8 -31.3 -179.3 -157.5 79.3 41.4 12 -1.8 19 -1.9 0 0.0 0 0.0 12 32
17 A 21 LEU L T h < 3 TS- 0 0 53.8 40.0 179.4 -34.1 80.6 32.8 13 -2.7 0 0.0 0 0.0 0 0.0 8 20
18 A 22 GLY G T T 3 TS+ 0 0 107.0 -25.1 179.5 104.3 119.6 84.4 0 0.0 0 0.0 0 0.0 0 0.0 5 15
19 A 23 ALA A S t < TS- 0 0 -84.9 169.8 178.9 -120.0 76.8 109.7 16 -1.9 0 0.0 0 0.0 0 0.0 7 23
20 A 24 VAL V S S S+ 0 0 -73.9 -47.2 180.0 44.2 98.6 20.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
21 A 25 ASN N S S S- 0 0 -96.1 159.3 179.6 -90.4 102.1 123.8 0 0.0 0 0.0 0 0.0 0 0.0 7 40
22 A 26 SER S - 0 0 -63.9 154.4 178.3 -104.0 48.4 106.2 0 0.0 0 0.0 0 0.0 0 0.0 13 42
23 A 27 VAL V - 0 0 -75.4 160.1 177.7 -118.8 28.7 111.4 15 -2.8 25 -0.7 0 0.0 0 0.0 10 35
24 A 28 ILE I - 0 0 -103.0 110.4 180.0 -172.5 29.5 157.2 0 0.0 26 -0.7 0 0.0 0 0.0 9 38
25 A 29 GLN Q - 0 0 -107.8 100.6 179.8 -166.4 3.6 154.6 23 -0.7 27 -0.5 0 0.0 0 0.0 8 40
26 A 30 ARG R + 0 0 -86.8 124.0 -178.7 138.1 29.8 142.8 24 -0.7 0 0.0 0 0.0 0 0.0 8 32
27 A 31 ALA A + 0 0 -169.7 147.3 172.5 173.0 43.0 164.2 25 -0.5 0 0.0 0 0.0 0 0.0 8 30
28 A 32 SER S S S S+ 0 0 -111.3 -63.5 179.1 54.9 88.5 55.4 0 0.0 53 -3.1 0 0.0 0 0.0 7 27
29 A 33 SER S - 0 0 -73.7 133.7 176.4 -170.9 66.6 114.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
30 A 34 LEU L - 0 0 -125.8 124.5 -176.4 -127.2 23.0 175.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
31 A 35 VAL V - 0 0 -82.1 138.5 178.8 -150.3 10.4 124.9 0 0.0 33 -0.5 0 0.0 0 0.0 5 28
32 A 36 PHE F - 0 0 -105.2 124.1 -179.5 -153.5 4.9 156.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
33 A 37 ASP D S S S- 0 0 -65.5 -33.3 -178.6 -3.7 75.2 34.3 31 -0.5 0 0.0 0 0.0 0 0.0 6 16
34 A 38 SER S S h > TS- 0 0 -150.2 176.2 178.3 -97.5 75.4 154.7 0 0.0 38 -2.4 0 0.0 0 0.0 6 14
35 A 39 VAL V H H > TS+ 0 0 -66.6 -39.7 179.3 53.1 125.8 25.0 0 0.0 39 -2.6 0 0.0 0 0.0 7 14
36 A 40 GLU E H H > TS+ 0 0 -61.3 -42.5 179.5 49.3 109.1 22.9 0 0.0 40 -2.1 0 0.0 0 0.0 6 16
37 A 41 ALA A H H > TS+ 0 0 -62.1 -46.5 179.6 50.2 110.3 22.2 0 0.0 41 -2.5 0 0.0 0 0.0 9 19
38 A 42 LYS K H H X TS+ 0 0 -58.9 -45.5 -180.0 50.6 109.7 23.3 34 -2.4 42 -2.6 0 0.0 0 0.0 11 22
39 A 43 LYS K H H X TS+ 0 0 -60.9 -41.9 179.7 47.7 112.0 25.1 35 -2.6 43 -2.2 0 0.0 0 0.0 8 21
40 A 44 HIS H H H X TS+ 0 0 -66.1 -44.4 179.7 48.3 111.9 25.8 36 -2.1 44 -1.5 0 0.0 0 0.0 8 22
41 A 45 ALA A H H < TS+ 0 0 -62.4 -41.2 179.3 53.3 110.4 25.4 37 -2.5 0 0.0 0 0.0 0 0.0 11 29
42 A 46 THR T H H < > TS+ 0 0 -58.0 -49.8 -179.5 51.1 106.9 20.1 38 -2.6 45 -1.6 0 0.0 0 0.0 8 27
43 A 47 ARG R H H < 3 TS+ 0 0 -59.1 -31.5 -178.9 37.3 119.0 35.6 39 -2.2 0 0.0 0 0.0 0 0.0 6 19
44 A 48 ASN N T h < >>TS+ 0 0 -112.6 29.8 -178.6 124.3 76.7 87.7 40 -1.5 47 -1.6 0 0.0 49 -1.3 9 25
45 A 49 ARG R T T <5TS+ 0 0 -60.6 -28.1 179.1 36.6 84.3 43.0 42 -1.6 0 0.0 0 0.0 0 0.0 12 35
46 A 50 ALA A T T 35TS+ 0 0 -106.3 8.8 -178.5 71.1 109.5 73.2 0 0.0 0 0.0 0 0.0 0 0.0 6 42
47 A 51 ASN N T T <5TS- 0 0 -122.4 48.3 177.3 -82.1 119.4 109.9 44 -1.6 0 0.0 0 0.0 0 0.0 5 35
48 A 52 GLY G T T 5TS+ 0 0 65.9 22.0 177.4 129.5 85.1 46.8 0 0.0 0 0.0 0 0.0 0 0.0 7 41
49 A 53 GLU E t > T - 0 0 -159.8 143.3 -179.3 -114.3 59.3 162.5 0 0.0 55 -2.0 0 0.0 56 -1.4 12 40
53 A 57 GLY G T T 4 3 TS+ 0 0 -47.4 -37.3 -179.1 61.4 112.7 39.1 28 -3.1 0 0.0 0 0.0 0 0.0 10 39
54 A 58 ARG R T T 4 3 TS+ 0 0 -64.0 -30.0 177.9 47.1 105.9 36.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
55 A 59 ARG R T T 4 < TS- 0 0 -78.2 -31.9 179.1 -106.7 123.1 38.7 52 -2.0 0 0.0 0 0.0 0 0.0 10 52
56 A 60 GLY G t < T - 0 0 126.7 167.6 179.4 -112.1 22.6 120.7 52 -1.4 0 0.0 0 0.0 0 0.0 13 55
57 A 61 THR T h > > T - 0 0 -122.9 -175.7 179.3 -74.7 53.6 125.8 0 0.0 61 -2.3 0 0.0 60 -0.6 13 49
58 A 62 LEU L H H > 3 TS+ 0 0 -51.7 -35.5 -178.4 58.7 130.2 32.3 0 0.0 62 -2.2 0 0.0 0 0.0 12 54
59 A 63 THR T H H > 3 TS+ 0 0 -63.5 -42.9 178.8 43.5 108.0 24.9 0 0.0 63 -1.4 0 0.0 0 0.0 15 54
60 A 64 HIS H H H > < TS+ 0 0 -68.0 -43.9 -179.1 55.4 111.0 24.6 57 -0.6 64 -2.7 0 0.0 0 0.0 11 65
61 A 65 PHE F H H X TS+ 0 0 -57.0 -42.4 179.3 53.1 105.1 26.2 57 -2.3 65 -2.3 0 0.0 0 0.0 10 62
62 A 66 SER S H H X TS+ 0 0 -60.0 -45.5 179.2 45.6 111.2 23.6 58 -2.2 66 -2.0 0 0.0 0 0.0 14 59
63 A 67 LEU L H H X TS+ 0 0 -65.2 -42.7 -179.6 52.7 110.9 24.9 59 -1.4 67 -2.5 0 0.0 0 0.0 13 67
64 A 68 GLN Q H H X TS+ 0 0 -60.4 -40.3 178.9 49.6 109.6 25.2 60 -2.7 68 -2.0 0 0.0 0 0.0 13 66
65 A 69 GLN Q H H X TS+ 0 0 -64.0 -44.4 179.6 49.4 110.9 25.1 61 -2.3 69 -1.9 0 0.0 0 0.0 12 52
66 A 70 ALA A H H X TS+ 0 0 -61.4 -44.9 -179.9 48.4 111.6 24.0 62 -2.0 70 -2.4 0 0.0 0 0.0 12 59
67 A 71 MET M H H X TS+ 0 0 -64.8 -40.4 178.6 52.8 109.3 29.4 63 -2.5 71 -2.4 0 0.0 0 0.0 13 67
68 A 72 CYS C H H X >TS+ 0 0 -65.0 -39.9 179.4 43.9 112.8 26.5 64 -2.0 73 -1.4 0 0.0 72 -1.2 13 52
69 A 73 GLU E H H < 5TS+ 0 0 -74.4 -34.0 179.5 49.2 114.6 24.0 65 -1.9 0 0.0 0 0.0 0 0.0 9 45
70 A 74 LEU L H H < 5TS+ 0 0 -69.8 -40.3 -179.6 28.7 124.6 27.0 66 -2.4 0 0.0 0 0.0 0 0.0 11 56
71 A 75 GLU E H H < 5TS- 0 0 -99.3 -2.8 178.9 -121.7 106.6 62.3 67 -2.4 0 0.0 0 0.0 0 0.0 12 58
72 A 76 GLY G T h < 5T + 0 0 66.0 46.4 -179.7 144.7 58.8 26.2 68 -1.2 0 0.0 0 0.0 0 0.0 10 45
73 A 77 GLY G t TS- 0 0 -167.6 173.5 179.9 -87.4 76.2 164.8 0 0.0 85 -1.7 0 0.0 0 0.0 13 48
82 A 86 GLY G H H > TS+ 0 0 -62.8 -37.1 179.5 55.3 122.1 31.3 0 0.0 86 -2.2 0 0.0 0 0.0 16 61
83 A 87 ALA A H H > TS+ 0 0 -64.6 -38.6 178.2 49.0 108.1 29.5 0 0.0 87 -2.5 0 0.0 0 0.0 10 49
84 A 88 ALA A H H > TS+ 0 0 -67.6 -36.4 179.4 54.4 108.7 29.5 0 0.0 88 -2.5 0 0.0 0 0.0 10 48
85 A 89 ALA A H H X TS+ 0 0 -63.7 -42.6 178.6 43.8 112.0 22.1 81 -1.7 89 -1.8 0 0.0 0 0.0 17 57
86 A 90 VAL V H H X TS+ 0 0 -65.5 -57.7 -178.4 43.1 117.3 11.0 82 -2.2 90 -2.1 0 0.0 0 0.0 11 68
87 A 91 ALA A H H X TS+ 0 0 -57.0 -45.3 -178.3 43.8 118.8 23.9 83 -2.5 91 -2.5 0 0.0 0 0.0 10 63
88 A 92 ASN N H H X TS+ 0 0 -74.1 -30.3 178.4 54.3 109.7 34.8 84 -2.5 92 -1.9 0 0.0 0 0.0 10 61
89 A 93 SER S H H X TS+ 0 0 -68.5 -41.2 178.4 43.9 113.4 24.4 85 -1.8 93 -0.6 0 0.0 0 0.0 11 70
90 A 94 ILE I H H X > TS+ 0 0 -65.2 -51.1 179.9 50.9 113.5 14.6 86 -2.1 93 -1.5 0 0.0 94 -1.2 9 74
91 A 95 LEU L H H < 3 TS+ 0 0 -55.9 -34.7 -179.4 66.7 99.6 35.0 87 -2.5 0 0.0 0 0.0 0 0.0 7 62
92 A 96 ALA A H H < 3 TS+ 0 0 -60.5 -26.9 -177.9 32.4 111.0 39.8 88 -1.9 0 0.0 0 0.0 0 0.0 10 53
93 A 97 PHE F H H < < TS+ 0 0 -109.0 -12.5 -178.1 94.1 98.7 52.8 90 -1.5 0 0.0 89 -0.6 0 0.0 11 50
94 A 98 ILE I h < T - 0 0 -87.2 161.6 179.6 -174.5 43.8 114.7 90 -1.2 0 0.0 0 0.0 0 0.0 10 46
95 A 99 GLU E t > T - 0 0 -145.7 154.5 178.5 -74.1 45.4 162.7 0 0.0 98 -2.2 0 0.0 0 0.0 7 34
96 A 100 GLN Q T T 3 TS+ 0 0 -49.5 132.0 -179.9 29.8 121.4 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 24
97 A 101 GLY G T T 3 TS+ 0 0 96.3 -8.1 179.6 127.2 91.6 70.3 122 -2.8 0 0.0 0 0.0 0 0.0 8 27
98 A 102 ASP D e < T - 0 0 -79.5 168.0 178.8 -136.2 50.3 107.8 95 -2.2 124 -2.0 0 0.0 0 0.0 12 38
99 A 103 HIS H E E Abc - 124 144 -126.2 138.4 179.4 -157.3 9.8 166.2 143 -2.2 145 -2.7 0 0.0 146 -1.2 13 47
100 A 104 VAL V E E Abc - 125 146 -117.6 130.5 179.9 -158.2 2.9 165.2 124 -2.4 126 -2.0 0 0.0 102 -0.6 13 61
101 A 105 LEU L E E Abc + 126 147 -111.0 118.9 -178.2 177.8 19.5 162.8 146 -2.6 148 -3.1 0 0.0 0 0.0 14 66
102 A 106 MET M E E Abc - 127 148 -127.0 142.7 178.0 -107.8 34.1 163.8 126 -2.3 128 -1.5 100 -0.6 0 0.0 12 69
103 A 107 THR T E E Ab > T - 128 0 -61.5 141.1 -179.3 -132.2 26.7 110.3 148 -2.2 106 -1.3 0 0.0 0 0.0 12 66
104 A 108 ASN N T e 3 TS+ 0 0 -75.6 -2.7 178.0 63.8 104.4 57.0 128 -2.7 0 0.0 0 0.0 0 0.0 13 54
105 A 109 THR T T T 3 TS+ 0 0 -100.9 12.4 179.7 132.1 77.3 79.7 0 0.0 154 -2.1 0 0.0 0 0.0 14 56
106 A 110 ALA A S t < TS- 0 0 -65.4 152.3 177.7 -80.4 74.8 107.8 103 -1.3 0 0.0 0 0.0 0 0.0 12 58
107 A 111 TYR Y h > > T - 0 0 -50.1 129.2 -177.3 -118.9 47.0 105.3 0 0.0 111 -1.5 0 0.0 110 -1.3 8 57
108 A 112 GLU E H H > 3 TS+ 0 0 -45.2 -51.7 179.4 54.6 110.9 30.7 0 0.0 112 -2.6 0 0.0 0 0.0 7 42
109 A 113 PRO P H H > 3 TS+ 0 0 -54.9 -32.8 179.3 54.6 105.8 30.5 0 0.0 113 -2.1 0 0.0 0 0.0 7 41
110 A 114 SER S H H > < TS+ 0 0 -65.9 -40.2 179.2 47.2 109.8 24.9 107 -1.3 114 -1.6 0 0.0 0 0.0 11 54
111 A 115 GLN Q H H X TS+ 0 0 -65.6 -45.5 -179.8 50.9 111.0 22.4 107 -1.5 115 -2.6 0 0.0 0 0.0 9 55
112 A 116 ASP D H H X TS+ 0 0 -61.1 -38.1 178.5 57.4 104.4 30.4 108 -2.6 116 -2.6 0 0.0 0 0.0 9 38
113 A 117 PHE F H H X >TS+ 0 0 -58.7 -45.7 180.0 44.2 111.0 18.4 109 -2.1 117 -2.3 0 0.0 118 -1.6 10 42
114 A 118 CYS C H H < >TS+ 0 0 -65.0 -48.2 -178.3 41.6 118.1 19.0 110 -1.6 119 -1.3 0 0.0 0 0.0 10 53
115 A 119 SER S H H < 5TS+ 0 0 -72.8 -27.8 -179.0 31.1 126.7 37.0 111 -2.6 0 0.0 0 0.0 0 0.0 9 37
116 A 120 LYS K H H < 5TS+ 0 0 -102.0 -31.4 -179.8 24.1 130.9 41.4 112 -2.6 0 0.0 0 0.0 0 0.0 8 24
117 A 121 ILE I T h < >5TS+ 0 0 -100.2 -57.0 -178.6 43.8 122.6 30.3 113 -2.3 120 -0.7 0 0.0 0 0.0 9 33
118 A 122 LEU L G G >XTS+ 0 0 -58.8 -37.8 -178.9 65.0 105.3 28.8 113 -1.6 121 -1.8 0 0.0 123 -1.6 11 37
119 A 123 SER S G G > T - 0 0 -68.7 133.3 -179.5 -129.4 32.9 122.5 0 0.0 132 -2.0 0 0.0 0 0.0 9 51
130 A 134 PRO P T T 3 TS+ 0 0 -54.3 -32.8 -178.3 50.1 106.1 42.3 0 0.0 0 0.0 0 0.0 0 0.0 12 58
131 A 135 LEU L T T 3 TS+ 0 0 -94.8 13.5 -179.5 106.6 76.3 75.4 0 0.0 0 0.0 0 0.0 0 0.0 9 51
132 A 136 ILE I g X T + 0 0 -62.6 -33.4 -180.0 169.5 49.2 34.9 129 -2.0 135 -1.7 0 0.0 0 0.0 9 43
133 A 137 GLY G G G > T + 0 0 58.7 -132.7 -179.0 1.4 67.2 107.1 0 0.0 136 -1.7 0 0.0 0 0.0 11 43
134 A 138 ALA A G G > TS+ 0 0 -61.6 -20.4 -179.9 75.1 120.6 46.4 0 0.0 137 -1.2 0 0.0 0 0.0 9 30
135 A 139 ASP D G G X T + 0 0 -72.9 -1.1 178.7 97.8 64.1 61.3 132 -1.7 138 -2.0 0 0.0 0 0.0 7 31
136 A 140 ILE I G G > X T + 0 0 -58.3 -20.6 179.2 81.7 62.9 41.6 133 -1.7 139 -2.5 0 0.0 140 -0.8 12 44
137 A 141 VAL V G G 4 < TS+ 0 0 -54.8 -29.3 179.6 66.3 79.2 38.4 134 -1.2 0 0.0 0 0.0 0 0.0 9 43
138 A 142 LYS K G G 4 < TS+ 0 0 -66.8 -19.2 -179.6 43.8 104.8 46.2 135 -2.0 0 0.0 0 0.0 0 0.0 5 35
139 A 143 HIS H T g 4 < TS+ 0 0 -101.0 -13.3 -179.2 107.2 89.2 54.9 136 -2.5 0 0.0 0 0.0 0 0.0 7 44
140 A 144 LEU L t < T - 0 0 -71.4 138.2 -179.8 -167.5 49.2 115.4 136 -0.8 0 0.0 0 0.0 0 0.0 11 43
141 A 145 GLN Q t > T - 0 0 -120.4 163.9 -179.8 -108.9 36.2 143.8 0 0.0 144 -1.8 0 0.0 0 0.0 6 34
142 A 146 PRO P T T 3 TS+ 0 0 -61.7 -29.6 -179.5 46.3 122.6 34.9 0 0.0 0 0.0 0 0.0 0 0.0 5 32
143 A 147 ASN N T e 3 TS+ 0 0 -98.1 13.9 178.6 132.9 77.1 78.7 0 0.0 99 -2.2 0 0.0 145 -0.6 7 33
144 A 148 THR T E E Ac < T + 99 0 -69.6 114.1 -178.2 166.9 22.1 125.0 141 -1.8 0 0.0 0 0.0 0 0.0 13 48
145 A 149 LYS K E E A* + 0 0 -98.7 -35.2 -177.5 31.7 58.8 40.8 99 -2.7 177 -3.1 143 -0.6 0 0.0 12 50
146 A 150 ILE I E E Acd - 100 177 -132.5 139.0 176.1 -165.1 53.8 169.0 99 -1.2 101 -2.6 0 0.0 0 0.0 14 65
147 A 151 VAL V E E Acd - 101 178 -121.3 117.9 -176.4 -158.6 20.2 176.1 177 -2.2 179 -2.5 0 0.0 149 -0.6 12 77
148 A 152 PHE F E E Acd - 102 179 -109.5 118.3 -179.4 -177.4 11.3 155.0 101 -3.1 103 -2.2 0 0.0 0 0.0 12 79
149 A 153 LEU L E E A d - 0 180 -110.0 159.0 176.5 -174.2 14.1 133.7 179 -3.0 181 -2.2 147 -0.6 0 0.0 12 77
150 A 154 GLU E E E A d - 0 181 -153.9 108.6 -178.2 -150.3 19.5 148.7 0 0.0 0 0.0 0 0.0 0 0.0 13 74
151 A 155 SER S S e S+ 0 0 -135.7 120.8 -0.3 26.2 84.8 169.5 181 -0.6 0 0.0 0 0.0 0 0.0 12 76
152 A 156 PRO P S S S- 0 0 -69.8 157.7 -180.0 -123.2 106.2 52.0 0 0.0 0 0.0 0 0.0 0 0.0 10 69
153 A 157 GLY G t > T - 0 0 -70.3 156.1 179.3 -86.9 31.8 106.1 158 -1.9 157 -1.3 0 0.0 0 0.0 13 65
154 A 158 SER S T T 4 TS- 0 0 -64.4 139.7 178.1 -16.6 99.0 112.2 105 -2.1 156 -3.0 0 0.0 0 0.0 9 67
155 A 159 ILE I T T 4 TS+ 0 0 65.8 -58.9 -177.7 53.6 137.9 106.3 0 0.0 0 0.0 0 0.0 0 0.0 8 63
156 A 160 THR T T T 4 TS- 0 0 -83.7 -15.0 174.4 -143.8 92.7 54.6 154 -3.0 0 0.0 0 0.0 0 0.0 9 66
157 A 161 MET M t < T + 0 0 65.9 20.1 179.2 169.2 30.5 53.5 153 -1.3 0 0.0 0 0.0 0 0.0 14 65
158 A 162 GLU E - 0 0 -65.7 138.0 179.5 -140.1 26.2 113.3 0 0.0 153 -1.9 0 0.0 0 0.0 15 62
159 A 163 VAL V - 0 0 -103.2 129.7 179.3 -137.6 12.2 150.1 290 -1.5 0 0.0 0 0.0 0 0.0 15 63
160 A 164 HIS H - 0 0 -77.1 163.8 173.8 -122.4 16.9 114.0 0 0.0 162 -1.1 0 0.0 0 0.0 14 63
161 A 165 ASP D h > T - 0 0 -103.9 82.1 -177.9 -177.6 37.8 143.8 0 0.0 165 -2.1 0 0.0 0 0.0 10 50
162 A 166 VAL V H H > TS+ 0 0 -53.3 -48.3 179.8 54.5 72.6 26.0 160 -1.1 166 -3.0 0 0.0 0 0.0 8 58
163 A 167 PRO P H H > TS+ 0 0 -55.7 -43.5 180.0 46.6 110.9 22.6 0 0.0 167 -2.2 0 0.0 0 0.0 7 44
164 A 168 ALA A H H > TS+ 0 0 -64.3 -43.9 -179.7 47.5 114.4 22.5 0 0.0 168 -1.9 0 0.0 0 0.0 9 38
165 A 169 ILE I H H X TS+ 0 0 -63.8 -47.3 -179.1 48.9 111.8 20.4 161 -2.1 169 -2.5 0 0.0 0 0.0 11 51
166 A 170 VAL V H H X TS+ 0 0 -61.4 -44.1 179.4 50.0 110.7 22.0 162 -3.0 170 -2.7 0 0.0 0 0.0 12 54
167 A 171 ALA A H H X TS+ 0 0 -61.0 -42.8 179.8 49.4 111.5 24.3 163 -2.2 171 -1.7 0 0.0 0 0.0 9 36
168 A 172 ALA A H H X TS+ 0 0 -62.0 -47.5 -179.7 47.0 112.4 20.0 164 -1.9 172 -1.4 0 0.0 0 0.0 12 40
169 A 173 VAL V H H X > TS+ 0 0 -61.0 -49.7 -179.3 50.6 111.1 20.1 165 -2.5 173 -3.1 0 0.0 172 -0.5 13 48
170 A 174 ARG R H H < 3 TS+ 0 0 -59.0 -35.1 -179.5 54.1 107.9 32.6 166 -2.7 0 0.0 0 0.0 0 0.0 10 38
171 A 175 SER S H H < 3 TS+ 0 0 -70.0 -31.1 -178.8 28.0 121.8 32.9 167 -1.7 0 0.0 0 0.0 0 0.0 7 29
172 A 176 VAL V H H < < TS+ 0 0 -96.7 -50.0 179.9 15.4 137.5 27.8 168 -1.4 0 0.0 169 -0.5 0 0.0 8 29
173 A 177 VAL V h < > T + 0 0 -129.6 79.9 -179.6 175.0 63.4 132.6 169 -3.1 176 -1.9 0 0.0 0 0.0 10 35
174 A 178 PRO P T T 3 TS+ 0 0 -52.8 -35.3 -177.6 58.9 78.0 38.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
175 A 179 ASP D T T 3 TS+ 0 0 -75.4 -11.6 -178.9 115.1 80.2 55.2 0 0.0 0 0.0 0 0.0 0 0.0 6 36
176 A 180 ALA A t < T - 0 0 -61.9 150.3 178.2 -127.9 66.3 102.6 173 -1.9 178 -0.6 0 0.0 0 0.0 11 48
177 A 181 ILE I E E Ad - 146 0 -100.9 120.9 179.0 -155.7 20.6 154.1 145 -3.1 147 -2.2 0 0.0 179 -0.6 11 60
178 A 182 ILE I E E Ad + 147 0 -102.2 124.5 -178.7 177.5 17.3 155.3 176 -0.6 198 -1.8 0 0.0 199 -1.5 12 66
179 A 183 MET M E E Ade - 148 199 -123.2 156.8 178.1 -163.0 11.5 152.5 147 -2.5 149 -3.0 177 -0.6 0 0.0 13 74
180 A 184 ILE I E E Ade - 149 200 -143.7 138.2 176.7 -134.1 23.6 176.5 199 -1.9 201 -2.9 0 0.0 182 -1.1 13 74
181 A 185 ASP D E E Ade + 150 201 -90.2 101.0 -176.0 178.0 31.5 148.7 149 -2.2 151 -0.6 0 0.0 0 0.0 12 73
182 A 186 ASN N e >T + 0 0 -98.7 29.9 -179.2 122.2 35.6 93.2 201 -2.6 187 -1.6 180 -1.1 0 0.0 14 72
183 A 187 THR T T T >5T + 0 0 -60.6 -46.9 -178.6 56.8 67.1 25.0 0 0.0 186 -1.9 0 0.0 0 0.0 11 70
184 A 188 TRP W T T 35TS+ 0 0 -56.3 -37.4 -179.7 45.2 110.4 30.7 0 0.0 0 0.0 0 0.0 0 0.0 10 71
185 A 189 ALA A T T > >5TS- 0 0 -85.7 -0.9 -178.3 -130.4 104.8 64.7 0 0.0 189 -2.5 0 0.0 188 -1.5 11 68
186 A 190 ALA A T T 4 <5T - 0 0 54.2 26.7 -179.8 -78.0 58.3 38.7 183 -1.9 0 0.0 0 0.0 0 0.0 11 69
187 A 191 GLY G T T 4 3 T - 0 0 -85.9 79.1 -178.3 -177.9 18.7 126.8 0 0.0 194 -1.6 0 0.0 0 0.0 11 55
192 A 196 ALA A G G >>TS+ 0 0 -44.9 -43.8 -179.2 58.1 76.4 35.8 190 -1.7 195 -1.7 0 0.0 197 -1.5 13 61
193 A 197 LEU L G G >5TS+ 0 0 -62.9 -29.9 177.6 59.9 98.2 36.2 0 0.0 196 -1.2 0 0.0 0 0.0 14 51
194 A 198 ASP D G G <5TS+ 0 0 -73.8 -8.3 -179.9 58.2 100.8 56.2 191 -1.6 0 0.0 0 0.0 0 0.0 7 38
195 A 199 PHE F G G <5TS- 0 0 -102.7 5.7 179.8 -96.4 125.0 70.1 192 -1.7 0 0.0 0 0.0 0 0.0 9 45
196 A 200 GLY G T g <5TS+ 0 0 92.8 6.8 178.7 145.5 75.4 55.0 193 -1.2 0 0.0 0 0.0 0 0.0 7 45
197 A 201 ILE I t T - 0 0 -83.7 177.2 -178.7 -92.2 46.7 105.5 198 -1.9 225 -1.7 0 0.0 0 0.0 12 43
222 A 227 ALA A T T 4 TS+ 0 0 -61.9 -34.9 -179.3 60.6 121.8 31.0 0 0.0 0 0.0 0 0.0 0 0.0 9 32
223 A 228 ARG R T T 4 TS+ 0 0 -61.2 -39.8 -176.3 26.0 116.9 29.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
224 A 229 CYS C T h > TS+ 0 0 -104.4 -13.6 -177.4 92.5 94.0 53.7 0 0.0 228 -2.0 0 0.0 0 0.0 10 45
225 A 230 TRP W H H X TS+ 0 0 -49.8 -58.3 -178.0 48.8 84.8 24.3 221 -1.7 229 -2.9 0 0.0 0 0.0 12 46
226 A 231 GLU E H H > TS+ 0 0 -53.9 -46.5 179.8 45.4 112.9 29.6 0 0.0 230 -2.3 0 0.0 0 0.0 8 35
227 A 232 GLN Q H H > TS+ 0 0 -65.7 -43.1 179.6 46.0 116.2 23.4 0 0.0 231 -2.2 0 0.0 0 0.0 9 39
228 A 233 LEU L H H X TS+ 0 0 -64.3 -47.8 179.5 48.9 114.2 17.3 224 -2.0 232 -2.5 0 0.0 0 0.0 12 51
229 A 234 ARG R H H X TS+ 0 0 -57.0 -51.2 -177.6 40.6 116.3 19.9 225 -2.9 233 -1.6 0 0.0 0 0.0 9 56
230 A 235 GLU E H H X TS+ 0 0 -71.3 -36.0 179.3 46.9 117.0 28.8 226 -2.3 234 -1.6 0 0.0 0 0.0 8 39
231 A 236 ASN N H H X TS+ 0 0 -73.7 -38.5 177.5 49.6 112.0 25.9 227 -2.2 235 -1.0 0 0.0 0 0.0 9 36
232 A 237 ALA A H H < >TS+ 0 0 -65.9 -33.6 178.7 54.8 109.7 29.4 228 -2.5 237 -2.3 0 0.0 0 0.0 13 46
233 A 238 TYR Y H H < >5TS+ 0 0 -66.1 -38.9 178.5 53.6 103.1 28.5 229 -1.6 236 -1.6 0 0.0 0 0.0 10 40
234 A 239 LEU L H H < 35TS+ 0 0 -67.3 -22.0 177.8 54.1 106.0 43.2 230 -1.6 0 0.0 0 0.0 0 0.0 7 29
235 A 240 MET M T h < 35TS- 0 0 -89.8 2.6 178.9 -117.7 118.5 69.5 231 -1.0 0 0.0 0 0.0 0 0.0 7 29
236 A 241 GLY G T T <5T + 0 0 68.1 29.5 -178.8 168.1 52.7 39.8 233 -1.6 0 0.0 0 0.0 0 0.0 7 32
237 A 242 GLN Q t T - 0 0 -69.3 159.0 -179.1 -113.9 30.9 108.5 0 0.0 244 -1.9 0 0.0 0 0.0 8 45
241 A 246 ALA A H H > TS+ 0 0 -60.1 -42.0 180.0 54.0 112.6 29.7 0 0.0 245 -2.2 0 0.0 0 0.0 13 48
242 A 247 ASP D H H > TS+ 0 0 -63.5 -40.1 178.8 48.5 108.5 26.3 0 0.0 246 -2.4 0 0.0 0 0.0 8 43
243 A 248 THR T H H > TS+ 0 0 -67.5 -37.7 177.8 53.6 109.4 26.3 0 0.0 247 -2.2 0 0.0 0 0.0 11 50
244 A 249 ALA A H H X TS+ 0 0 -60.6 -42.2 178.7 48.2 110.2 24.0 240 -1.9 248 -2.2 0 0.0 0 0.0 12 63
245 A 250 TYR Y H H X TS+ 0 0 -61.8 -48.3 179.8 50.6 110.5 22.4 241 -2.2 249 -2.4 0 0.0 0 0.0 13 56
246 A 251 ILE I H H X TS+ 0 0 -59.8 -35.6 179.8 50.7 110.0 31.5 242 -2.4 250 -1.8 0 0.0 0 0.0 10 53
247 A 252 THR T H H X TS+ 0 0 -70.9 -44.3 177.5 48.1 109.9 21.6 243 -2.2 251 -1.5 0 0.0 0 0.0 12 66
248 A 253 SER S H H X TS+ 0 0 -60.5 -40.7 -179.8 52.8 111.5 22.5 244 -2.2 252 -0.8 0 0.0 0 0.0 12 67
249 A 254 ARG R H H < > TS+ 0 0 -62.3 -39.1 179.1 55.5 104.2 29.0 245 -2.4 252 -0.7 0 0.0 0 0.0 10 53
250 A 255 GLY G H H < > TS+ 0 0 -64.5 -31.2 179.5 66.2 96.1 34.1 246 -1.8 253 -1.1 0 0.0 0 0.0 11 55
251 A 256 LEU L H H < > TS+ 0 0 -58.3 -34.6 -177.2 68.3 88.9 32.2 247 -1.5 254 -1.1 0 0.0 0 0.0 12 60
252 A 257 ARG R T h < < TS+ 0 0 -59.1 -31.4 178.8 31.6 109.7 41.9 248 -0.8 0 0.0 249 -0.7 0 0.0 9 43
253 A 258 THR T T h > < TS+ 0 0 -108.4 6.6 -178.7 104.5 89.0 70.8 250 -1.1 257 -2.3 0 0.0 0 0.0 10 40
254 A 259 LEU L H H > < TS+ 0 0 -55.2 -40.4 -179.4 51.5 79.7 29.6 251 -1.1 258 -2.7 0 0.0 0 0.0 12 53
255 A 260 GLY G H H > TS+ 0 0 -64.6 -51.6 -179.7 41.8 112.3 19.7 0 0.0 259 -1.8 0 0.0 0 0.0 11 44
256 A 261 VAL V H H > TS+ 0 0 -67.1 -31.2 179.0 50.5 117.3 33.9 0 0.0 260 -1.3 0 0.0 0 0.0 7 40
257 A 262 ARG R H H X TS+ 0 0 -70.6 -54.2 179.5 47.6 109.2 14.5 253 -2.3 261 -2.6 0 0.0 0 0.0 9 49
258 A 263 LEU L H H X TS+ 0 0 -55.2 -38.0 178.8 56.7 108.9 31.3 254 -2.7 262 -2.5 0 0.0 0 0.0 11 53
259 A 264 ARG R H H X TS+ 0 0 -62.0 -42.3 178.2 42.7 110.4 25.3 255 -1.8 263 -2.4 0 0.0 0 0.0 9 44
260 A 265 GLN Q H H X TS+ 0 0 -70.1 -42.9 178.9 51.1 114.1 25.4 256 -1.3 264 -2.9 0 0.0 0 0.0 9 39
261 A 266 HIS H H H X TS+ 0 0 -59.0 -42.0 -179.9 48.6 112.1 25.8 257 -2.6 265 -2.2 0 0.0 0 0.0 14 51
262 A 267 HIS H H H X TS+ 0 0 -63.2 -53.1 -178.2 43.6 114.7 15.4 258 -2.5 266 -1.8 0 0.0 0 0.0 12 49
263 A 268 GLU E H H X TS+ 0 0 -62.1 -46.5 -179.4 43.4 117.9 22.2 259 -2.4 267 -1.8 0 0.0 0 0.0 8 39
264 A 269 SER S H H X TS+ 0 0 -68.0 -43.1 -179.1 50.3 112.9 24.5 260 -2.9 268 -2.3 0 0.0 0 0.0 11 45
265 A 270 SER S H H X TS+ 0 0 -64.9 -37.0 179.0 50.7 110.2 30.4 261 -2.2 269 -2.7 0 0.0 0 0.0 13 56
266 A 271 LEU L H H X TS+ 0 0 -66.5 -44.2 179.3 50.3 109.6 20.6 262 -1.8 270 -2.7 0 0.0 0 0.0 11 46
267 A 272 LYS K H H X TS+ 0 0 -59.9 -44.3 178.3 45.5 113.7 23.0 263 -1.8 271 -1.7 0 0.0 0 0.0 9 45
268 A 273 VAL V H H X TS+ 0 0 -62.9 -45.6 180.0 52.6 111.9 20.7 264 -2.3 272 -2.9 0 0.0 0 0.0 10 56
269 A 274 ALA A H H X TS+ 0 0 -56.7 -47.4 179.8 48.0 109.3 25.5 265 -2.7 273 -2.5 0 0.0 0 0.0 11 56
270 A 275 GLU E H H X TS+ 0 0 -64.3 -34.8 178.5 50.4 112.1 31.8 266 -2.7 274 -0.6 0 0.0 0 0.0 9 40
271 A 276 TRP W H H < > TS+ 0 0 -67.7 -48.5 179.5 46.9 111.9 17.9 267 -1.7 274 -1.2 0 0.0 0 0.0 8 41
272 A 277 LEU L H H < > TS+ 0 0 -59.4 -40.6 -179.0 64.9 102.4 28.2 268 -2.9 275 -2.1 0 0.0 0 0.0 10 48
273 A 278 ALA A H H < 3 TS+ 0 0 -56.6 -24.2 -179.1 42.3 107.4 43.0 269 -2.5 0 0.0 0 0.0 0 0.0 9 37
274 A 279 GLU E T h < < TS+ 0 0 -106.8 7.9 -178.8 113.8 88.5 72.0 271 -1.2 0 0.0 270 -0.6 0 0.0 7 28
275 A 280 HIS H t X T - 0 0 -85.1 137.2 -179.9 -133.0 67.1 130.7 272 -2.1 278 -1.6 0 0.0 0 0.0 7 30
276 A 281 PRO P T T 3 TS+ 0 0 -55.6 -33.6 -178.6 51.6 103.6 39.5 0 0.0 0 0.0 0 0.0 0 0.0 4 27
277 A 282 GLN Q T e 3 TS+ 0 0 -86.0 -1.7 -177.4 91.8 91.9 59.9 0 0.0 311 -2.3 0 0.0 0 0.0 8 35
278 A 283 VAL V E E BG < T - 310 0 -101.9 128.5 179.0 -176.9 46.5 144.5 275 -1.6 0 0.0 0 0.0 0 0.0 13 41
279 A 284 ALA A E E B* S- 0 0 -86.4 -40.8 -177.7 -5.9 70.1 29.7 309 -2.6 0 0.0 0 0.0 0 0.0 9 35
280 A 285 ARG R E E BG - 309 0 -158.0 147.0 177.9 -142.2 54.2 173.4 309 -1.7 309 -3.3 0 0.0 282 -0.5 8 46
281 A 286 VAL V E E BG - 308 0 -116.6 122.1 179.7 -158.2 9.3 164.7 0 0.0 283 -1.0 0 0.0 0 0.0 13 52
282 A 287 ASN N E E BG + 307 0 -99.4 84.2 178.0 135.9 39.2 138.3 307 -3.0 307 -1.9 280 -0.5 0 0.0 14 61
283 A 288 HIS H t > T - 0 0 -131.6 118.4 -179.8 -142.9 50.2 166.1 281 -1.0 286 -2.7 0 0.0 0 0.0 12 60
284 A 289 PRO P T T 3 TS+ 0 0 -47.3 -35.3 -179.2 53.9 102.3 40.3 0 0.0 0 0.0 0 0.0 0 0.0 16 59
285 A 290 ALA A T T 3 TS+ 0 0 -83.7 0.5 -179.7 88.6 92.7 65.2 0 0.0 0 0.0 0 0.0 0 0.0 10 55
286 A 291 LEU L S t X TS- 0 0 -106.3 125.5 179.8 -114.4 84.9 150.7 283 -2.7 289 -1.7 0 0.0 0 0.0 12 44
287 A 292 PRO P T T 3 TS+ 0 0 -52.5 143.9 -179.3 33.9 101.7 102.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31
288 A 293 GLY G T T 3 TS+ 0 0 89.9 -8.7 178.7 126.4 87.8 68.8 0 0.0 0 0.0 0 0.0 0 0.0 5 32
289 A 294 SER S S t X TS- 0 0 -83.0 146.7 -179.4 -87.3 76.9 126.5 286 -1.7 292 -2.5 0 0.0 0 0.0 12 43
290 A 295 LYS K T T 3 TS+ 0 0 -56.6 115.2 179.8 1.3 113.0 111.0 0 0.0 159 -1.5 0 0.0 0 0.0 9 43
291 A 296 GLY G T h > > TS+ 0 0 83.4 10.8 -179.8 139.5 84.4 55.5 0 0.0 295 -1.9 0 0.0 294 -1.2 12 42
292 A 297 HIS H H H > < T + 0 0 -54.4 -35.0 -179.7 61.0 68.6 31.6 289 -2.5 296 -2.8 0 0.0 0 0.0 13 39
293 A 298 GLU E H H > 3 TS+ 0 0 -60.7 -36.5 -179.3 45.8 106.3 32.0 0 0.0 297 -1.5 0 0.0 0 0.0 7 33
294 A 299 PHE F H H > < TS+ 0 0 -76.8 -37.4 178.0 51.4 110.7 28.3 291 -1.2 298 -3.5 0 0.0 0 0.0 11 44
295 A 300 TRP W H H X TS+ 0 0 -61.8 -44.7 -179.6 51.3 110.4 20.6 291 -1.9 299 -2.1 0 0.0 0 0.0 11 48
296 A 301 LYS K H H < TS+ 0 0 -59.1 -40.6 -178.4 37.2 118.5 27.2 292 -2.8 0 0.0 0 0.0 0 0.0 9 34
297 A 302 ARG R H H < TS+ 0 0 -81.5 -42.7 -175.3 28.6 127.5 25.1 293 -1.5 0 0.0 0 0.0 0 0.0 6 31
298 A 303 ASP D H H < TS+ 0 0 -97.1 -24.7 -179.0 69.9 104.9 46.1 294 -3.5 0 0.0 0 0.0 0 0.0 7 39
299 A 304 PHE F h < T - 0 0 -95.5 160.0 178.7 -153.0 57.5 128.0 295 -2.1 0 0.0 0 0.0 0 0.0 11 44
300 A 305 THR T S S S- 0 0 -113.2 14.4 -179.9 -21.7 75.0 80.4 189 -2.1 0 0.0 0 0.0 0 0.0 7 39
301 A 306 GLY G - 0 0 168.1 -173.3 -178.5 -99.9 63.8 169.2 0 0.0 0 0.0 0 0.0 0 0.0 7 48
302 A 307 SER S - 0 0 -137.8 153.6 176.3 -146.6 16.5 155.2 0 0.0 0 0.0 0 0.0 0 0.0 12 61
303 A 308 SER S - 0 0 -101.1 -159.5 -177.4 -94.0 39.3 105.9 0 0.0 0 0.0 0 0.0 0 0.0 11 66
304 A 309 GLY G S e S+ 0 0 -109.6 16.7 -179.8 102.2 83.6 74.4 0 0.0 370 -2.4 0 0.0 0 0.0 13 67
305 A 310 LEU L E E B H + 0 369 -102.6 131.6 178.3 128.5 40.3 147.4 0 0.0 0 0.0 0 0.0 0 0.0 13 68
306 A 311 PHE F E E B H - 0 368 -162.5 176.9 179.7 -133.7 37.1 160.1 368 -2.2 368 -2.8 0 0.0 0 0.0 14 69
307 A 312 SER S E E BGH - 282 367 -140.8 164.4 178.2 -160.2 7.5 158.2 282 -1.9 282 -3.0 0 0.0 0 0.0 14 61
308 A 313 PHE F E E BGH - 281 366 -143.5 154.3 -179.4 -130.4 16.5 167.6 366 -2.3 366 -3.0 0 0.0 0 0.0 13 64
309 A 314 VAL V E E BGH - 280 365 -111.4 129.4 178.1 -138.4 18.7 159.4 280 -3.3 279 -2.6 0 0.0 280 -1.7 14 54
310 A 315 LEU L E E BG - 278 0 -77.6 158.7 178.8 -120.5 20.8 115.4 364 -2.6 0 0.0 0 0.0 0 0.0 13 50
311 A 316 LYS K S e S+ 0 0 -70.8 -29.2 179.4 43.6 95.9 32.0 277 -2.3 0 0.0 0 0.0 0 0.0 10 36
312 A 317 LYS K S S S- 0 0 -117.8 158.3 177.9 -119.3 83.3 140.9 0 0.0 364 -1.6 0 0.0 314 -0.7 8 35
313 A 318 LYS K - 0 0 -94.5 115.6 -179.3 -135.6 36.1 149.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
314 A 319 LEU L - 0 0 -71.5 144.4 177.2 -135.0 11.3 114.8 312 -0.7 0 0.0 0 0.0 0 0.0 9 38
315 A 320 ASN N h > T - 0 0 -89.7 173.3 -178.9 -89.4 37.0 117.5 0 0.0 319 -2.8 0 0.0 0 0.0 6 28
316 A 321 ASN N H H > TS+ 0 0 -51.6 -43.3 -179.8 47.7 126.6 34.1 0 0.0 320 -2.1 0 0.0 0 0.0 6 23
317 A 322 GLU E H H > TS+ 0 0 -66.8 -43.3 179.9 46.8 114.4 23.9 0 0.0 321 -2.4 0 0.0 0 0.0 7 20
318 A 323 GLU E H H > TS+ 0 0 -65.0 -39.3 179.5 54.2 110.0 27.7 0 0.0 322 -2.5 0 0.0 0 0.0 9 31
319 A 324 LEU L H H X TS+ 0 0 -59.8 -49.5 -179.6 45.0 110.8 21.0 315 -2.8 323 -2.8 0 0.0 0 0.0 9 36
320 A 325 ALA A H H X TS+ 0 0 -61.1 -47.2 -179.2 49.9 113.4 20.1 316 -2.1 324 -2.8 0 0.0 0 0.0 8 29
321 A 326 ASN N H H < TS+ 0 0 -61.0 -37.5 179.1 43.0 116.2 29.3 317 -2.4 0 0.0 0 0.0 0 0.0 10 31
322 A 327 TYR Y H H < > TS+ 0 0 -71.0 -61.8 -177.3 33.1 123.5 6.8 318 -2.5 325 -0.7 0 0.0 0 0.0 12 42
323 A 328 LEU L H H < > TS+ 0 0 -65.2 -44.2 -176.8 58.9 111.4 29.9 319 -2.8 326 -1.2 0 0.0 0 0.0 10 42
324 A 329 ASP D T h < 3 TS+ 0 0 -65.3 -14.2 -176.1 54.7 102.8 48.8 320 -2.8 0 0.0 0 0.0 0 0.0 6 31
325 A 330 ASN N T T < TS+ 0 0 -111.0 19.1 178.1 123.7 70.2 78.3 322 -0.7 0 0.0 0 0.0 0 0.0 7 29
326 A 331 PHE F t < T - 0 0 -75.9 147.0 -179.4 -159.8 42.8 119.5 323 -1.2 0 0.0 0 0.0 0 0.0 11 37
327 A 332 SER S S S S+ 0 0 -97.2 -32.0 -178.3 17.7 85.8 41.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
328 A 333 LEU L S S S+ 0 0 -111.0 -36.5 179.6 77.7 107.9 43.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
329 A 334 PHE F - 0 0 -80.7 136.6 179.2 -161.5 63.2 130.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
330 A 335 SER S B B a - 341 0 -117.2 151.0 177.2 -121.5 18.6 148.4 340 -1.6 342 -2.3 0 0.0 332 -0.5 9 38
331 A 336 MET M + 0 0 -92.8 124.8 179.0 124.2 55.9 145.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
332 A 337 ALA A - 0 0 -170.5 157.1 177.2 -107.4 56.4 162.2 330 -0.5 0 0.0 0 0.0 0 0.0 7 30
333 A 338 TYR Y S S S+ 0 0 -86.1 171.1 -177.9 41.5 82.0 117.1 0 0.0 0 0.0 0 0.0 0 0.0 5 39
334 A 339 SER S - 0 0 76.9 175.4 -177.5 -165.9 63.4 96.6 0 0.0 0 0.0 0 0.0 0 0.0 5 50
335 A 340 TRP W + 0 0 -175.4 -173.8 179.4 97.9 49.7 160.1 0 0.0 0 0.0 0 0.0 0 0.0 9 53
336 A 341 GLY G + 0 0 86.4 11.1 179.0 118.4 67.8 53.4 0 0.0 0 0.0 0 0.0 0 0.0 14 66
337 A 342 GLY G S S S- 0 0 -96.4 -169.0 -178.7 -94.3 81.3 101.5 0 0.0 0 0.0 0 0.0 0 0.0 11 56
338 A 343 TYR Y S S S+ 0 0 -86.2 -11.0 -178.9 71.5 99.0 53.2 0 0.0 372 -3.3 0 0.0 0 0.0 9 49
339 A 344 GLU E S S S- 0 0 -110.5 157.6 -178.5 -107.0 84.1 138.0 0 0.0 0 0.0 0 0.0 0 0.0 10 45
340 A 345 SER S - 0 0 -82.7 141.0 -178.0 -168.8 34.7 124.3 0 0.0 330 -1.6 0 0.0 0 0.0 14 55
341 A 346 LEU L E E BIa - 369 330 -131.3 154.0 -180.0 -162.2 8.8 156.8 369 -1.8 369 -2.2 0 0.0 0 0.0 13 55
342 A 347 ILE I E E BI + 368 0 -139.6 137.5 178.9 170.2 10.8 177.2 330 -2.3 0 0.0 0 0.0 0 0.0 13 53
343 A 348 LEU L E E BI - 367 0 -143.8 142.1 178.8 -146.2 18.7 171.1 367 -1.8 367 -3.2 0 0.0 0 0.0 10 46
344 A 349 ALA A E E BI - 366 0 -112.5 147.1 179.6 -169.9 10.5 149.9 0 0.0 0 0.0 0 0.0 0 0.0 8 57
345 A 350 ASN N E E BI - 365 0 -137.1 126.9 178.3 -136.5 17.3 173.8 365 -3.0 365 -2.8 0 0.0 0 0.0 10 48
346 A 351 GLN Q h > > T - 0 0 -80.3 148.8 -179.8 -113.9 28.4 125.6 0 0.0 350 -1.3 0 0.0 349 -1.2 10 39
347 A 352 PRO P H H > 3 TS+ 0 0 -49.0 -39.3 -179.3 56.8 116.3 33.5 0 0.0 351 -2.2 0 0.0 0 0.0 12 38
348 A 353 GLU E H H > 3 TS+ 0 0 -63.7 -35.6 -179.2 55.6 102.6 30.9 0 0.0 352 -1.4 0 0.0 0 0.0 6 29
349 A 354 HIS H H H > < TS+ 0 0 -64.6 -42.2 -179.9 45.4 109.3 26.5 346 -1.2 353 -0.6 0 0.0 0 0.0 8 34
350 A 355 ILE I H H < > TS+ 0 0 -67.8 -45.7 -179.9 57.8 107.1 20.7 346 -1.3 353 -1.7 0 0.0 0 0.0 10 41
351 A 356 ALA A H H < > TS+ 0 0 -53.3 -36.1 179.3 58.9 100.7 32.4 347 -2.2 354 -1.3 0 0.0 0 0.0 11 31
352 A 357 ALA A H H < 3 TS+ 0 0 -65.4 -27.3 -179.4 44.2 109.1 38.0 348 -1.4 0 0.0 0 0.0 0 0.0 7 30
353 A 358 ILE I T h < < TS+ 0 0 -110.2 31.7 177.8 84.1 92.5 93.3 350 -1.7 0 0.0 349 -0.6 0 0.0 9 40
354 A 359 ARG R S t X TS- 0 0 -130.0 73.0 -179.5 -159.5 70.8 131.3 351 -1.3 357 -1.5 0 0.0 0 0.0 11 44
355 A 360 PRO P T T 3 TS- 0 0 -57.5 137.0 179.3 -0.5 73.3 105.5 0 0.0 0 0.0 0 0.0 0 0.0 8 40
356 A 361 GLN Q T T 3 TS+ 0 0 51.6 32.7 179.4 93.4 120.3 36.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
357 A 362 GLY G t < T - 0 0 -141.3 177.2 179.8 -127.5 66.9 147.9 354 -1.5 0 0.0 0 0.0 0 0.0 9 33
358 A 363 GLU E - 0 0 -135.9 142.2 -180.0 -123.9 17.6 171.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
359 A 364 ILE I - 0 0 -81.2 148.2 -179.4 -161.8 13.4 122.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
360 A 365 ASP D + 0 0 -124.3 36.2 178.7 65.1 61.7 93.0 0 0.0 0 0.0 0 0.0 0 0.0 4 41
361 A 366 PHE F - 0 0 -150.1 156.8 -179.1 -164.9 48.9 167.2 0 0.0 0 0.0 0 0.0 0 0.0 6 38
362 A 367 SER S + 0 0 -121.9 -12.2 179.6 86.3 62.4 60.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
363 A 368 GLY G S S S- 0 0 -87.6 167.7 178.7 -81.1 91.3 114.1 0 0.0 0 0.0 0 0.0 0 0.0 13 38
364 A 369 THR T e - 0 0 -66.1 138.5 179.0 -135.2 45.2 115.9 312 -1.6 310 -2.6 0 0.0 0 0.0 14 46
365 A 370 LEU L E E BHI - 309 345 -100.9 134.6 179.5 -161.2 15.1 149.5 345 -2.8 345 -3.0 0 0.0 0 0.0 12 52
366 A 371 ILE I E E BHI - 308 344 -116.4 123.8 177.9 -157.4 2.5 165.3 308 -3.0 308 -2.3 0 0.0 0 0.0 12 66
367 A 372 ARG R E E BHI - 307 343 -102.2 130.2 -179.3 -168.8 14.3 155.2 343 -3.2 343 -1.8 0 0.0 0 0.0 13 59
368 A 373 LEU L E E BHI - 306 342 -120.7 142.7 171.6 -160.9 19.0 155.1 306 -2.8 306 -2.2 0 0.0 370 -0.5 11 69
369 A 374 HIS H E E BHI - 305 341 -116.4 120.7 179.6 -147.1 20.0 175.5 341 -2.2 341 -1.8 0 0.0 371 -0.7 13 67
370 A 375 ILE I e - 0 0 -92.5 112.3 -179.4 -172.1 22.0 145.9 304 -2.4 0 0.0 368 -0.5 0 0.0 12 64
371 A 376 GLY G - 0 0 -80.4 -149.0 -177.9 -75.7 41.2 75.7 369 -0.7 0 0.0 0 0.0 0 0.0 12 56
372 A 377 LEU L S S S+ 0 0 -101.6 9.6 179.1 117.8 85.7 75.4 338 -3.3 0 0.0 0 0.0 0 0.0 11 44
373 A 378 GLU E S S S- 0 0 -69.6 170.0 178.5 -72.4 85.3 100.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
374 A 379 ASP D h > > T - 0 0 -65.9 125.3 -178.7 -137.9 43.5 121.1 0 0.0 378 -1.6 0 0.0 377 -0.7 6 32
375 A 380 VAL V H H > 3 TS+ 0 0 -56.2 -34.8 179.4 56.8 100.7 32.5 0 0.0 379 -2.4 0 0.0 0 0.0 10 38
376 A 381 ASP D H H > 3 TS+ 0 0 -67.1 -34.0 178.2 51.3 105.1 29.1 0 0.0 380 -2.2 0 0.0 0 0.0 6 30
377 A 382 ASP D H H > < TS+ 0 0 -68.2 -37.0 179.9 50.1 110.4 29.3 374 -0.7 381 -1.7 0 0.0 0 0.0 8 28
378 A 383 LEU L H H X TS+ 0 0 -67.2 -43.6 179.1 49.2 109.8 22.3 374 -1.6 382 -2.1 0 0.0 0 0.0 11 42
379 A 384 ILE I H H X TS+ 0 0 -62.2 -41.6 178.7 53.4 109.1 23.4 375 -2.4 383 -3.1 0 0.0 0 0.0 9 40
380 A 385 ALA A H H X TS+ 0 0 -59.5 -40.3 179.9 50.5 108.5 25.9 376 -2.2 384 -2.2 0 0.0 0 0.0 8 29
381 A 386 ASP D H H X TS+ 0 0 -65.1 -42.2 179.7 45.5 112.7 26.1 377 -1.7 385 -1.6 0 0.0 0 0.0 12 39
382 A 387 LEU L H H X TS+ 0 0 -67.1 -44.5 179.7 53.9 110.3 21.1 378 -2.1 386 -2.2 0 0.0 0 0.0 9 58
383 A 388 ASP D H H X TS+ 0 0 -55.7 -45.4 179.4 49.5 109.0 23.1 379 -3.1 387 -1.8 0 0.0 0 0.0 8 39
384 A 389 ALA A H H X TS+ 0 0 -63.0 -37.3 179.9 55.7 107.4 29.7 380 -2.2 388 -1.1 0 0.0 0 0.0 8 30
385 A 390 GLY G H H X > TS+ 0 0 -63.2 -44.0 178.8 51.2 104.7 24.4 381 -1.6 389 -0.7 0 0.0 388 -0.5 12 43
386 A 391 PHE F H H < > TS+ 0 0 -59.2 -42.3 -179.8 56.6 105.3 24.4 382 -2.2 389 -1.4 0 0.0 0 0.0 10 46
387 A 392 ALA A H H < > TS+ 0 0 -59.7 -27.6 -179.6 60.6 100.3 35.7 383 -1.8 390 -0.8 0 0.0 0 0.0 7 30
388 A 393 ARG R H H < < TS+ 0 0 -71.9 -25.6 -179.9 37.5 111.9 42.1 384 -1.1 0 0.0 385 -0.5 0 0.0 8 28
389 A 394 ILE I T h < < T 0 0 -112.1 14.7 178.9 999.9 999.9 78.9 386 -1.4 0 0.0 385 -0.7 0 0.0 8 35
390 A 395 VAL V t < T 0 0 -83.3 999.9 999.9 999.9 999.9 23.3 387 -0.8 0 0.0 0 0.0 0 0.0 4 25
1cl1A.pdb
1CL1 METHIONINE BIOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHTT HHHHTTSSS S SSHHHHHHHHHTTTTT TTT HHHHHHHHHHHHHHT SEEEEESSHHHHHHHHHHHH TT EE Kabs/Sand
chirality +++++++-++-+++--+-+-----+++------++++++++++++-+-+--++---+++++++++++++-+---------++++++++++++--++--- chirality
bends SSSSSSSS SSSSSSSSS S SSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSS S SSSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33<>33< >3><3< >33< >33< >33< >33< 3-turns
bridge-2 cc bridge-2
bridge-1 AAAAA bb bridge-1
sheets AAAAA AA sheets
4-turns >>>>X<<<< >>44<< >>>>XXX<<<< >444<>>>>XXXXXXXX<<<< >>>>XXXXXX<<<< 4-turns
summary hHHHHHHHhTthHHHHhTtSS S ShHHHHHHHHHhTTTTt tTTTthHHHHHHHHHHHHHHhtSEEEEEShHHHHHHHHHHHHhtTTeEE summary
sequence KLDTQLVNAGRSKKYTLGAVNSVIQRASSLVFDSVEAKKHATRNRANGELFYGRRGTLTHFSLQQAMCELEGGAGCVLFPCGAAAVANSILAFIEQGDHV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEETTS HHHHHHHHHTGGGGT EEEEE TT GGGGGGT TTEEEEEEESS TTT HHHHHHHHHHH TT EEEEE TTTTTTSS GGGGT SEE Kabs/Sand
chirality +--++--+++++++++++++-+--+----++++++++++--++++-----+---+-+----++++++++++++++--+--++++--+++--+++-+-+-- chirality
bends SSS SSSSSSSSSSSSSSS SS S SSS SS SS SSS SSSSSSSSSSS SS SS SSSS SSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTT TTTTTTTT TTTTTTT turns
5-turns >>555X<555< >5555< >5555< 5-turns
3-turns >33<>33< >>><<< >33X>>XX<<< >33< >33<>33< >3><3< >>><<< 3-turns
bridge-2 cc ddddd eee FF bridge-2
bridge-1 bbb bbbbb c*ccc ddddd ee bridge-1
sheets AAA AAAAA AAAAAAA AAAAA AA sheets
4-turns >>>>XXX<<<< >444< >444< >>>>XXXXX<<<< >444< 4-turns
summary EEEeTthHHHHHHHHHhGGGGgtEEEEEtTTgGGGGGGgttTeEEEEEEEeStTTTt hHHHHHHHHHHHhTTtEEEEEeTTTTTTtSgGGGGgteEE summary
sequence LMTNTAYEPSQDFCSKILSKLGVTTSWFDPLIGADIVKHLQPNTKIVFLESPGSITMEVHDVPAIVAAVRSVVPDAIIMIDNTWAAGVLFKALDFGIDVS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEE S SSS EEEEE TTTHHHHHHHHHHTT HHHHHHHHHHHTTHHHHHHHHHHHHHHHHHHHHT TTEEEEE TTSTTSTTHHHHHHH S Kabs/Sand
chirality --- +-+-++-+-------+++++++++++++-++---++++++++++++++++++++++++++++++++++-++----+-++-++-+++++++++-- chirality
bends S SSS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SS S SSSSSSSS SSSSSS S bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >>333X33X3><3< 3-turns
bridge-2 FFF FFFFF bridge-2
bridge-1 e AAAAA G*GGG bridge-1
sheets AAA AAAAA BBBBB sheets
4-turns >44>X>>XXXX<<<< >>>>XXXXX<<<<>>>>XXXXXXXXXXXXXX<<<< >>>>X<<<< 4-turns
summary EEEe S SSS eEEEEEeTThHHHHHHHHHHhTt hHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHHHHhtTeEEEEEtTTtTTtThHHHHHHHhS summary
sequence IQAATYLVGHSDAMIGTAVCNARCWEQLRENAYLMGQMVDADTAYITSRGLRTLGVRLRQHHESSLKVAEWLAEHPQVARVNHPALPGSKGHEFWKRDFT sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SEEEEEESS HHHHHHHHTT SS B S SSS EEEEE HHHHHHTSTT S EEEEE SS HHHHHHHHHHHHHHT Kabs/Sand
chirality ---++-----+----++++++++++-++--+-+-++-+---+----+++++++--+---+-+---------+--++++++++++++++ chirality
bends S SS SSSSSSSSSS SS S SSS SSSSSSSSSS S SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >33<>>333< >>><<< 3-turns
bridge-2 HHHHH a IIIII bridge-2
bridge-1 GGGG a IIIII HHHHH bridge-1
sheets BBBBBB BBBBB BBBBB sheets
4-turns >>>>XX<<<< >>>><<<< >>>>XXXXXXXX<<<< 4-turns
summary eEEEEEEeS hHHHHHHHHhTtSS B S SSS EEEEEhHHHHHHhtTTt SeEEEEEe SShHHHHHHHHHHHHHHht summary
sequence GSSGLFSFVLKKKLNNEELANYLDNFSLFSMAYSWGGYESLILANQPEHIAAIRPQGEIDFSGTLIRLHIGLEDVDDLIADLDAGFARIV sequence
310 320 330 340 350 360 370 380 390
Messages
chain break between 205(A 209 ) and 206(A 211 )