Secondary structure calculation program - copyright by David Keith Smith, 1989
1h4vB.pdb
1H4V TRNA SYNTHETASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 404
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 B 2 THR T 0 0 999.9 -73.2 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 B 3 ALA A - 0 0 -57.0 132.7 178.9 -166.0 999.9 106.3 0 0.0 0 0.0 0 0.0 0 0.0 3 8
3 B 4 ARG R - 0 0 -116.7 166.1 178.3 -75.6 36.3 139.0 0 0.0 0 0.0 0 0.0 0 0.0 4 11
4 B 5 ALA A - 0 0 -60.2 134.2 179.3 -98.0 64.5 114.2 0 0.0 0 0.0 0 0.0 0 0.0 7 16
5 B 6 VAL V t > T - 0 0 -53.7 143.7 -179.7 -87.9 49.8 102.3 0 0.0 8 -1.7 0 0.0 0 0.0 7 21
6 B 7 ARG R T T 3 TS+ 0 0 -57.0 136.7 -179.3 33.1 117.1 105.2 0 0.0 0 0.0 0 0.0 0 0.0 8 18
7 B 8 GLY G T T 3 TS+ 0 0 95.8 -2.7 179.5 79.4 110.9 66.6 0 0.0 112 -2.3 0 0.0 111 -2.1 8 25
8 B 9 THR T t < T + 0 0 -131.2 163.0 179.8 175.8 54.9 152.0 5 -1.7 0 0.0 0 0.0 0 0.0 10 29
9 B 10 LYS K - 0 0 -167.9 153.2 179.0 -101.5 33.0 167.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
10 B 11 ASP D - 0 0 -76.1 147.1 178.4 -145.5 32.6 120.4 0 0.0 12 -0.5 0 0.0 0 0.0 5 25
11 B 12 LEU L + 0 0 -118.6 119.6 178.4 128.7 39.1 166.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
12 B 13 PHE F h > > T + 0 0 -156.6 172.6 -178.7 18.1 50.9 160.5 10 -0.5 16 -0.9 0 0.0 15 -0.8 7 19
13 B 14 GLY G H H > 3 TS- 0 0 59.3 -143.2 -178.9 -12.9 124.9 103.5 0 0.0 17 -2.1 0 0.0 0 0.0 7 20
14 B 15 LYS K H H > 3 TS+ 0 0 -60.9 -39.7 -179.9 57.9 134.4 30.0 0 0.0 18 -2.6 0 0.0 0 0.0 7 26
15 B 16 GLU E H H > < TS+ 0 0 -58.0 -45.9 179.7 45.0 110.0 20.9 12 -0.8 19 -2.0 0 0.0 0 0.0 8 32
16 B 17 LEU L H H X TS+ 0 0 -62.9 -45.3 -178.4 51.9 112.1 21.6 12 -0.9 20 -2.5 0 0.0 0 0.0 9 34
17 B 18 ARG R H H X TS+ 0 0 -61.4 -35.4 178.7 52.8 107.5 30.1 13 -2.1 21 -1.8 0 0.0 0 0.0 9 31
18 B 19 MET M H H X TS+ 0 0 -65.5 -44.5 179.1 48.2 109.9 21.1 14 -2.6 22 -2.3 0 0.0 0 0.0 10 43
19 B 20 HIS H H H X TS+ 0 0 -61.5 -41.3 -179.3 51.0 111.1 27.3 15 -2.0 23 -2.4 0 0.0 0 0.0 11 44
20 B 21 GLN Q H H X TS+ 0 0 -67.3 -32.7 179.4 50.5 109.4 32.7 16 -2.5 24 -2.4 0 0.0 0 0.0 8 38
21 B 22 ARG R H H X TS+ 0 0 -68.9 -46.2 -179.8 50.3 109.9 20.9 17 -1.8 25 -2.4 0 0.0 0 0.0 8 45
22 B 23 ILE I H H X TS+ 0 0 -57.2 -48.9 179.7 42.3 115.0 21.9 18 -2.3 26 -2.0 0 0.0 0 0.0 12 55
23 B 24 VAL V H H X TS+ 0 0 -67.2 -40.6 179.3 54.2 112.2 25.3 19 -2.4 27 -2.9 0 0.0 0 0.0 11 50
24 B 25 ALA A H H X TS+ 0 0 -60.9 -36.2 178.9 50.0 109.2 30.1 20 -2.4 28 -2.0 0 0.0 0 0.0 8 39
25 B 26 THR T H H X TS+ 0 0 -68.6 -44.3 178.9 47.9 110.3 22.4 21 -2.4 29 -2.3 0 0.0 0 0.0 11 42
26 B 27 ALA A H H X TS+ 0 0 -61.8 -42.2 -179.7 54.4 110.1 21.9 22 -2.0 30 -3.1 0 0.0 0 0.0 10 57
27 B 28 ARG R H H X TS+ 0 0 -57.9 -43.7 -179.6 48.4 108.9 23.0 23 -2.9 31 -2.2 0 0.0 0 0.0 8 43
28 B 29 LYS K H H X TS+ 0 0 -63.4 -49.4 -179.0 38.2 117.8 20.0 24 -2.0 32 -1.0 0 0.0 0 0.0 8 33
29 B 30 VAL V H H X TS+ 0 0 -71.0 -41.4 -179.3 46.9 119.2 23.7 25 -2.3 33 -0.7 0 0.0 0 0.0 11 40
30 B 31 LEU L H H < >TS+ 0 0 -69.9 -36.2 -179.8 47.1 113.3 29.5 26 -3.1 35 -2.3 0 0.0 0 0.0 13 46
31 B 32 GLU E H H < >5TS+ 0 0 -79.3 -16.7 177.9 59.9 105.6 43.8 27 -2.2 34 -0.9 0 0.0 0 0.0 10 33
32 B 33 ALA A H H < 35TS+ 0 0 -78.0 -21.8 179.3 52.1 104.3 43.5 28 -1.0 0 0.0 0 0.0 0 0.0 7 27
33 B 34 ALA A T h < 35TS- 0 0 -96.9 13.9 178.4 -98.2 129.1 77.3 29 -0.7 0 0.0 0 0.0 0 0.0 6 37
34 B 35 GLY G T T <5T + 0 0 90.1 -4.0 -179.5 152.4 69.5 66.8 31 -0.9 0 0.0 0 0.0 0 0.0 7 31
35 B 36 ALA A t BB > T - 69 0 -63.6 134.8 -179.7 -122.2 52.7 116.8 0 0.0 48 -2.3 0 0.0 49 -0.5 10 39
46 B 47 THR T G e 4 > TS+ 0 0 -47.5 -38.9 -178.9 66.7 107.8 35.8 68 -1.3 49 -1.3 0 0.0 0 0.0 10 38
47 B 48 GLN Q G G 4 > TS+ 0 0 -60.1 -22.3 -179.8 69.5 86.7 41.7 0 0.0 50 -0.6 0 0.0 0 0.0 6 37
48 B 49 VAL V G G 4 < TS+ 0 0 -62.9 -34.8 -177.8 36.6 108.3 26.1 45 -2.3 0 0.0 0 0.0 0 0.0 10 45
49 B 50 PHE F G G < < TS+ 0 0 -100.6 2.5 178.1 112.2 86.6 67.5 46 -1.3 0 0.0 45 -0.5 0 0.0 12 47
50 B 51 GLU E g < T - 0 0 -76.6 135.1 -177.4 -154.1 53.8 127.1 47 -0.6 0 0.0 0 0.0 0 0.0 6 40
51 B 52 LYS K - 0 0 -90.0 -5.2 -179.6 -76.9 50.9 59.3 0 0.0 0 0.0 0 0.0 0 0.0 5 42
52 B 53 GLY G - 0 0 133.4 172.9 -179.2 -41.2 65.7 134.1 0 0.0 54 -0.6 0 0.0 0 0.0 5 27
53 B 54 VAL V S S S+ 0 0 -80.4 116.0 -179.8 103.0 83.5 129.8 0 0.0 0 0.0 0 0.0 0 0.0 4 25
54 B 55 GLY G 0 0 168.6 106.3 -179.5 999.9 999.9 112.7 52 -0.6 0 0.0 0 0.0 0 0.0 6 29
55!B 56 ALA A 0 0 -57.2 999.9 999.9 999.9 999.9 32.0 0 0.0 0 0.0 0 0.0 0 0.0 4 26
56!B 63 LYS K 0 0 999.9 -24.7 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
57 B 64 GLU E + 0 0 -93.8 27.5 178.8 77.8 999.9 88.9 0 0.0 106 -1.1 0 0.0 0 0.0 6 30
58 B 65 MET M S S S- 0 0 -137.0 135.8 178.8 -122.2 80.5 178.4 0 0.0 60 -0.9 0 0.0 0 0.0 10 37
59 B 66 PHE F e + 0 0 -79.6 109.4 -178.6 170.8 45.6 133.4 0 0.0 71 -2.8 0 0.0 0 0.0 10 38
60 B 67 THR T E E BC + 70 0 -120.3 153.7 179.4 148.5 7.3 149.0 58 -0.9 0 0.0 0 0.0 0 0.0 9 32
61 B 68 PHE F E E BC - 69 0 -172.9 161.8 178.7 -115.5 37.4 164.2 69 -3.0 69 -3.9 0 0.0 0 0.0 7 28
62 B 69 GLN Q E E BC - 68 0 -114.9 140.0 -179.9 -143.8 24.2 157.2 0 0.0 0 0.0 0 0.0 0 0.0 9 18
63 B 70 ASP D e > T - 0 0 -85.2 -174.2 179.1 -55.5 52.4 98.7 67 -1.3 66 -2.3 0 0.0 65 -1.0 8 16
64 B 71 ARG R T T 3 TS+ 0 0 -66.0 102.5 -179.3 42.8 132.1 121.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
65 B 72 GLY G T T 3 TS- 0 0 141.8 -11.1 179.0 -98.3 116.1 76.7 63 -1.0 0 0.0 0 0.0 0 0.0 5 9
66 B 73 GLY G S t < TS+ 0 0 89.6 -17.5 -179.6 146.4 71.9 78.9 63 -2.3 0 0.0 0 0.0 0 0.0 6 14
67 B 74 ARG R e - 0 0 -56.5 130.9 179.4 -119.6 52.8 107.0 0 0.0 63 -1.3 0 0.0 0 0.0 8 17
68 B 75 SER S E E B C - 0 62 -76.6 128.1 -179.4 -172.8 35.1 127.5 0 0.0 46 -1.3 0 0.0 0 0.0 10 23
69 B 76 LEU L E E BBC - 45 61 -123.6 145.0 -179.9 -163.1 5.8 159.7 61 -3.9 61 -3.0 0 0.0 0 0.0 12 29
70 B 77 THR T E E BBC - 44 60 -134.4 136.1 178.2 -120.1 23.1 172.4 44 -3.3 44 -2.2 0 0.0 0 0.0 13 39
71 B 78 LEU L E E BB - 43 0 -69.4 129.9 -179.4 -89.8 53.6 122.9 59 -2.8 0 0.0 0 0.0 0 0.0 12 41
72 B 79 ARG R e + 0 0 -46.2 114.7 179.8 173.9 49.0 100.1 42 -3.5 104 -2.2 0 0.0 0 0.0 14 49
73 B 80 PRO P + 0 0 -98.4 -17.8 -179.0 11.0 67.7 53.1 0 0.0 0 0.0 0 0.0 0 0.0 9 49
74 B 81 GLU E - 0 0 -151.8 168.9 -179.7 -134.2 62.7 160.6 0 0.0 0 0.0 0 0.0 0 0.0 9 60
75 B 82 GLY G S h > TS+ 0 0 -100.7 -36.0 -176.9 69.7 87.0 33.8 0 0.0 79 -2.1 0 0.0 0 0.0 11 63
76 B 83 THR T H H > TS+ 0 0 -51.5 -55.8 -179.9 46.2 99.2 27.4 0 0.0 80 -2.7 0 0.0 0 0.0 8 71
77 B 84 ALA A H H > TS+ 0 0 -58.0 -39.1 179.7 51.4 113.4 28.7 0 0.0 81 -2.4 0 0.0 0 0.0 10 65
78 B 85 ALA A H H > TS+ 0 0 -65.3 -39.3 180.0 46.9 111.5 27.7 0 0.0 82 -1.4 0 0.0 0 0.0 12 61
79 B 86 MET M H H X TS+ 0 0 -70.0 -41.8 177.9 48.1 112.7 24.6 75 -2.1 83 -2.4 0 0.0 0 0.0 12 64
80 B 87 VAL V H H X TS+ 0 0 -63.3 -40.1 179.4 53.7 110.1 25.8 76 -2.7 84 -2.1 0 0.0 0 0.0 11 64
81 B 88 ARG R H H X TS+ 0 0 -63.0 -32.1 179.2 47.1 110.7 33.8 77 -2.4 85 -2.2 0 0.0 0 0.0 11 54
82 B 89 ALA A H H X TS+ 0 0 -76.5 -39.5 179.6 55.3 106.8 28.0 78 -1.4 86 -2.4 0 0.0 0 0.0 9 51
83 B 90 TYR Y H H < >TS+ 0 0 -58.5 -39.7 179.1 43.6 114.1 27.0 79 -2.4 88 -2.6 0 0.0 0 0.0 10 53
84 B 91 LEU L H H < >5TS+ 0 0 -70.3 -51.8 -177.6 51.8 111.1 19.1 80 -2.1 87 -1.5 0 0.0 0 0.0 10 41
85 B 92 GLU E H H < 35TS+ 0 0 -57.4 -38.6 -178.0 42.0 114.7 30.6 81 -2.2 0 0.0 0 0.0 0 0.0 7 30
86 B 93 HIS H T h < 35TS- 0 0 -95.9 13.0 179.4 -118.1 108.6 73.3 82 -2.4 0 0.0 0 0.0 0 0.0 6 27
87 B 94 GLY G T g X5T + 0 0 54.4 45.3 179.6 161.3 52.4 25.9 84 -1.5 90 -1.6 0 0.0 0 0.0 8 26
88 B 95 MET M G G > > T - 0 0 -51.0 123.4 -179.8 -138.8 57.5 102.4 0 0.0 128 -1.6 0 0.0 129 -0.6 6 42
126 B 137 PRO P H H > 3 TS+ 0 0 -60.0 -17.2 177.6 74.6 97.7 49.1 0 0.0 130 -1.9 0 0.0 0 0.0 10 49
127 B 138 ILE I H H > 3 TS+ 0 0 -63.0 -36.8 -179.3 55.3 92.2 25.9 0 0.0 131 -2.1 0 0.0 0 0.0 9 44
128 B 139 LEU L H H > < TS+ 0 0 -66.1 -31.9 179.1 52.3 104.5 33.8 125 -1.6 132 -2.2 0 0.0 0 0.0 11 54
129 B 140 ASP D H H X TS+ 0 0 -69.3 -45.5 179.4 46.6 110.7 21.6 125 -0.6 133 -2.1 0 0.0 0 0.0 14 66
130 B 141 ALA A H H X TS+ 0 0 -63.4 -36.4 -180.0 52.2 112.4 28.4 126 -1.9 134 -2.8 0 0.0 0 0.0 12 58
131 B 142 GLU E H H X TS+ 0 0 -66.4 -42.1 179.2 52.3 106.3 24.3 127 -2.1 135 -3.2 0 0.0 0 0.0 8 64
132 B 143 ALA A H H X TS+ 0 0 -58.5 -45.6 179.4 46.1 112.9 22.2 128 -2.2 136 -1.9 0 0.0 0 0.0 14 70
133 B 144 VAL V H H X TS+ 0 0 -62.4 -52.9 179.8 44.3 115.4 18.0 129 -2.1 137 -2.7 0 0.0 0 0.0 10 69
134 B 145 VAL V H H X TS+ 0 0 -61.3 -40.4 179.4 54.8 111.2 26.7 130 -2.8 138 -3.3 0 0.0 0 0.0 10 59
135 B 146 LEU L H H X TS+ 0 0 -60.4 -42.0 178.9 43.7 111.6 25.8 131 -3.2 139 -2.5 0 0.0 0 0.0 10 61
136 B 147 LEU L H H X TS+ 0 0 -67.4 -46.5 179.0 50.9 113.9 20.3 132 -1.9 140 -2.0 0 0.0 0 0.0 11 73
137 B 148 TYR Y H H X TS+ 0 0 -54.5 -48.2 179.7 47.7 112.8 20.9 133 -2.7 141 -2.4 0 0.0 0 0.0 11 63
138 B 149 GLU E H H X TS+ 0 0 -61.5 -46.9 179.2 56.1 105.3 26.7 134 -3.3 142 -3.2 0 0.0 0 0.0 9 53
139 B 150 CYS C H H X TS+ 0 0 -51.3 -47.5 -178.4 41.4 114.9 19.9 135 -2.5 143 -0.8 0 0.0 0 0.0 12 61
140 B 151 LEU L H H < >TS+ 0 0 -69.2 -40.2 179.8 50.3 114.1 29.7 136 -2.0 145 -1.5 0 0.0 0 0.0 10 61
141 B 152 LYS K H H < >5TS+ 0 0 -65.9 -41.0 -180.0 54.3 107.6 25.3 137 -2.4 144 -1.7 0 0.0 0 0.0 10 42
142 B 153 GLU E H H < 35TS+ 0 0 -64.3 -24.5 179.4 62.8 99.5 41.6 138 -3.2 0 0.0 0 0.0 0 0.0 8 32
143 B 154 LEU L T h < 35TS- 0 0 -76.0 -10.5 179.7 -106.1 123.2 54.4 139 -0.8 0 0.0 0 0.0 0 0.0 9 49
144 B 155 GLY G T T <5TS+ 0 0 102.6 -6.0 179.7 144.5 71.6 69.9 141 -1.7 0 0.0 0 0.0 0 0.0 7 34
145 B 156 LEU L t > T - 0 0 -89.9 158.1 -179.7 -100.9 60.7 124.5 0 0.0 161 -2.2 0 0.0 160 -1.6 12 47
158 B 169 PRO P H H > 3 TS+ 0 0 -49.5 -29.7 179.0 54.9 124.6 40.7 0 0.0 162 -1.6 0 0.0 0 0.0 8 40
159 B 170 GLU E H H > 3 TS+ 0 0 -73.7 -30.4 179.1 47.6 110.0 34.7 0 0.0 163 -1.4 0 0.0 0 0.0 7 33
160 B 171 ASP D H H > < TS+ 0 0 -75.0 -36.5 -179.7 51.1 110.7 31.1 157 -1.6 164 -1.9 0 0.0 0 0.0 11 42
161 B 172 ARG R H H X TS+ 0 0 -71.1 -28.7 178.9 58.0 105.0 36.1 157 -2.2 165 -2.1 0 0.0 0 0.0 12 50
162 B 173 ALA A H H X TS+ 0 0 -66.1 -48.3 179.5 45.4 107.6 18.3 158 -1.6 166 -1.8 0 0.0 0 0.0 8 39
163 B 174 ARG R H H X TS+ 0 0 -61.2 -43.6 -179.6 52.7 111.5 23.6 159 -1.4 167 -2.7 0 0.0 0 0.0 9 35
164 B 175 TYR Y H H X TS+ 0 0 -59.9 -42.6 179.3 52.2 107.0 24.8 160 -1.9 168 -2.9 0 0.0 0 0.0 11 47
165 B 176 ASN N H H X TS+ 0 0 -61.8 -37.8 179.0 50.3 108.8 28.5 161 -2.1 169 -1.9 0 0.0 0 0.0 11 46
166 B 177 ALA A H H X TS+ 0 0 -63.1 -51.6 178.9 48.8 111.1 13.4 162 -1.8 170 -2.3 0 0.0 0 0.0 9 33
167 B 178 TYR Y H H X TS+ 0 0 -52.4 -44.9 179.7 52.7 109.6 25.6 163 -2.7 171 -2.4 0 0.0 0 0.0 8 37
168 B 179 LEU L H H X TS+ 0 0 -62.1 -34.4 179.6 52.5 106.9 31.3 164 -2.9 172 -2.6 0 0.0 0 0.0 12 45
169 B 180 ARG R H H X TS+ 0 0 -67.6 -42.1 179.6 48.6 109.9 22.2 165 -1.9 173 -2.0 0 0.0 0 0.0 10 37
170 B 181 GLU E H H < TS+ 0 0 -63.0 -43.4 -179.3 37.9 119.2 25.0 166 -2.3 0 0.0 0 0.0 0 0.0 8 28
171 B 182 VAL V H H < TS+ 0 0 -78.7 -35.5 -178.1 37.9 124.2 32.7 167 -2.4 0 0.0 0 0.0 0 0.0 9 37
172 B 183 LEU L H H < > TS+ 0 0 -93.9 -14.8 179.7 74.0 99.8 50.0 168 -2.6 175 -1.0 0 0.0 0 0.0 9 43
173 B 184 SER S G h < > TS+ 0 0 -63.5 -53.4 179.8 53.3 92.2 15.6 169 -2.0 176 -2.5 0 0.0 0 0.0 9 35
174 B 185 PRO P G G 3 TS+ 0 0 -64.0 6.9 179.4 49.5 112.2 64.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
175 B 186 HIS H G G > X TS+ 0 0 -128.5 18.6 -179.1 129.0 73.1 85.5 172 -1.0 178 -2.4 0 0.0 179 -0.6 8 33
176 B 187 ARG R G G 4 X T + 0 0 -40.4 -62.1 -178.4 55.7 67.2 27.5 173 -2.5 179 -2.6 0 0.0 0 0.0 9 29
177 B 188 GLU E G G 4 3 TS+ 0 0 -55.2 -8.7 179.7 65.6 98.5 54.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
178 B 189 ALA A G G 4 < TS+ 0 0 -85.3 -24.8 178.5 57.7 99.0 41.5 175 -2.4 0 0.0 0 0.0 0 0.0 8 31
179 B 190 LEU L S g < < TS- 0 0 -78.8 -146.0 -179.4 -135.8 84.1 72.8 176 -2.6 0 0.0 175 -0.6 0 0.0 11 39
180 B 191 SER S h > > T - 0 0 -172.3 164.1 -178.8 -42.8 38.0 167.9 0 0.0 184 -1.7 0 0.0 183 -1.0 10 32
181 B 192 GLU E H H > > TS+ 0 0 8.0 -97.8 -179.0 22.1 129.7 66.7 0 0.0 185 -1.3 0 0.0 184 -0.7 6 28
182 B 193 ASP D H H > 3 TS+ 0 0 -52.3 -52.0 -179.3 56.2 122.1 29.0 0 0.0 186 -2.3 0 0.0 0 0.0 7 34
183 B 194 SER S H H > < TS+ 0 0 -56.0 -30.9 179.5 54.3 105.1 37.8 180 -1.0 187 -1.0 0 0.0 0 0.0 13 41
184 B 195 LYS K H H < < TS+ 0 0 -71.1 -36.4 179.4 43.9 111.9 29.3 180 -1.7 0 0.0 181 -0.7 0 0.0 11 38
185 B 196 GLU E H H X > TS+ 0 0 -76.9 -28.6 179.4 62.7 105.8 39.7 181 -1.3 189 -1.4 0 0.0 188 -0.8 9 32
186 B 197 ARG R H H X 3 TS+ 0 0 -66.4 -30.5 179.8 70.3 88.8 36.5 182 -2.3 190 -2.2 0 0.0 0 0.0 13 43
187 B 198 LEU L H H < 3 TS+ 0 0 -56.3 -33.4 -179.3 36.8 107.4 32.8 183 -1.0 0 0.0 0 0.0 0 0.0 12 43
188 B 199 GLU E H H 4 < TS+ 0 0 -90.6 -28.4 -178.4 28.5 130.8 38.7 185 -0.8 0 0.0 0 0.0 0 0.0 7 34
189 B 200 GLU E H H < TS- 0 0 -100.1 -46.3 -179.7 -8.6 137.3 29.6 185 -1.4 0 0.0 0 0.0 0 0.0 7 34
190 B 201 ASN N h < > T - 0 0 -158.2 84.9 -179.9 -175.8 53.4 123.9 186 -2.2 193 -1.9 0 0.0 0 0.0 11 46
191 B 202 PRO P G G > TS+ 0 0 -50.9 -40.9 179.8 64.9 83.3 32.1 0 0.0 194 -2.0 0 0.0 0 0.0 14 53
192 B 203 MET M G G > TS+ 0 0 -58.0 -22.0 179.0 68.2 89.4 43.8 0 0.0 195 -0.9 0 0.0 0 0.0 13 60
193 B 204 ARG R G G X TS+ 0 0 -68.5 -25.0 179.7 68.1 86.8 38.6 190 -1.9 196 -1.4 0 0.0 0 0.0 12 50
194 B 205 ILE I G G X TS+ 0 0 -64.4 -26.6 180.0 57.0 94.2 37.1 191 -2.0 197 -0.6 0 0.0 0 0.0 12 58
195 B 206 LEU L G G < TS+ 0 0 -79.1 -11.2 -179.6 49.4 107.6 52.4 192 -0.9 0 0.0 0 0.0 0 0.0 10 54
196 B 207 ASP D G G < TS+ 0 0 -107.5 1.1 -179.7 110.1 83.2 67.0 193 -1.4 0 0.0 0 0.0 0 0.0 9 43
197 B 208 SER S g < T - 0 0 -81.1 140.1 -179.7 -145.0 60.8 125.7 194 -0.6 0 0.0 0 0.0 0 0.0 9 36
198 B 209 LYS K + 0 0 -92.4 31.7 179.5 133.7 54.5 90.7 0 0.0 200 -0.8 0 0.0 0 0.0 6 28
199 B 210 SER S h > > T - 0 0 -85.5 109.2 -179.6 -149.7 51.6 137.7 0 0.0 203 -2.9 0 0.0 202 -0.9 6 24
200 B 211 GLU E H H > 3 TS+ 0 0 -47.8 -32.5 179.2 54.7 99.1 37.6 198 -0.8 204 -1.4 0 0.0 0 0.0 6 20
201 B 212 ARG R H H > 3 TS+ 0 0 -69.8 -41.1 179.3 42.7 111.7 25.3 0 0.0 205 -1.5 0 0.0 0 0.0 9 26
202 B 213 ASP D H H > < TS+ 0 0 -71.1 -40.4 179.8 53.9 111.7 27.4 199 -0.9 206 -2.0 0 0.0 0 0.0 14 37
203 B 214 GLN Q H H X TS+ 0 0 -63.0 -30.5 -179.8 56.3 106.1 35.0 199 -2.9 207 -1.9 0 0.0 0 0.0 11 34
204 B 215 ALA A H H X TS+ 0 0 -66.8 -53.8 179.6 45.3 106.6 16.9 200 -1.4 208 -1.9 0 0.0 0 0.0 8 25
205 B 216 LEU L H H X TS+ 0 0 -56.4 -44.9 -179.7 51.7 113.7 23.3 201 -1.5 209 -2.9 0 0.0 0 0.0 10 32
206 B 217 LEU L H H X TS+ 0 0 -59.9 -41.9 179.2 52.3 107.3 26.6 202 -2.0 210 -2.6 0 0.0 0 0.0 10 44
207 B 218 LYS K H H < TS+ 0 0 -62.9 -37.5 -179.9 43.7 114.1 29.6 203 -1.9 0 0.0 0 0.0 0 0.0 7 26
208 B 219 GLU E H H < TS+ 0 0 -75.1 -46.0 -179.7 42.6 117.2 24.2 204 -1.9 0 0.0 0 0.0 0 0.0 6 20
209 B 220 LEU L H H < TS- 0 0 -69.1 -37.8 -179.6 -159.9 85.9 28.1 205 -2.9 0 0.0 0 0.0 0 0.0 6 28
210 B 221 GLY G h < T - 0 0 54.6 59.1 -179.7 -159.0 16.4 12.9 206 -2.6 0 0.0 0 0.0 0 0.0 6 26
211 B 222 VAL V - 0 0 -64.5 165.4 -179.9 -80.5 27.1 97.6 0 0.0 0 0.0 0 0.0 0 0.0 7 38
212 B 223 ARG R - 0 0 -71.0 143.0 179.9 -108.8 49.9 114.5 0 0.0 0 0.0 0 0.0 0 0.0 5 36
213 B 224 PRO P g > T - 0 0 -70.5 151.5 178.2 -118.6 19.0 109.2 0 0.0 216 -1.6 0 0.0 0 0.0 8 47
214 B 225 MET M G G > TS+ 0 0 -60.7 -20.0 179.2 73.2 112.3 44.2 0 0.0 217 -1.5 0 0.0 0 0.0 13 56
215 B 226 LEU L G G > TS+ 0 0 -62.7 -36.1 180.0 59.2 86.9 32.8 0 0.0 218 -1.3 0 0.0 0 0.0 10 51
216 B 227 ASP D G G < TS+ 0 0 -71.9 -3.8 -179.4 53.9 104.9 59.0 213 -1.6 0 0.0 0 0.0 0 0.0 6 37
217 B 228 PHE F G G < TS+ 0 0 -115.9 15.3 -179.9 136.0 71.8 77.1 214 -1.5 0 0.0 0 0.0 0 0.0 11 41
218 B 229 LEU L g < T - 0 0 -67.0 131.9 179.0 -132.9 48.9 115.4 215 -1.3 0 0.0 0 0.0 0 0.0 13 42
219 B 230 GLY G h > T - 0 0 -74.7 178.4 -179.1 -88.4 31.4 98.1 0 0.0 223 -2.1 0 0.0 0 0.0 10 30
220 B 231 GLU E H H > TS+ 0 0 -52.5 -59.2 -179.2 39.6 127.0 19.4 0 0.0 224 -1.6 0 0.0 0 0.0 6 25
221 B 232 GLU E H H > TS+ 0 0 -60.5 -39.8 -179.2 54.7 114.7 29.4 0 0.0 225 -2.0 0 0.0 0 0.0 7 28
222 B 233 ALA A H H > TS+ 0 0 -64.7 -35.5 -179.0 49.2 107.3 33.8 0 0.0 226 -1.8 0 0.0 0 0.0 12 42
223 B 234 ARG R H H X TS+ 0 0 -74.3 -33.1 -179.6 49.3 111.5 32.7 219 -2.1 227 -1.6 0 0.0 0 0.0 10 37
224 B 235 ALA A H H X TS+ 0 0 -73.2 -36.4 -179.9 51.2 110.0 31.6 220 -1.6 228 -1.8 0 0.0 0 0.0 8 32
225 B 236 HIS H H H X TS+ 0 0 -67.4 -43.5 179.2 48.4 110.5 24.0 221 -2.0 229 -2.3 0 0.0 0 0.0 10 43
226 B 237 LEU L H H X TS+ 0 0 -65.1 -36.7 179.7 53.8 108.9 29.3 222 -1.8 230 -2.5 0 0.0 0 0.0 13 52
227 B 238 LYS K H H X TS+ 0 0 -65.5 -38.7 178.2 51.1 107.6 25.2 223 -1.6 231 -2.5 0 0.0 0 0.0 8 37
228 B 239 GLU E H H X TS+ 0 0 -61.5 -47.9 179.8 49.1 110.0 19.4 224 -1.8 232 -2.2 0 0.0 0 0.0 10 37
229 B 240 VAL V H H X TS+ 0 0 -57.8 -44.3 179.6 49.8 111.6 23.1 225 -2.3 233 -1.9 0 0.0 0 0.0 12 50
230 B 241 GLU E H H X TS+ 0 0 -60.9 -44.2 -179.4 54.6 107.4 23.4 226 -2.5 234 -2.3 0 0.0 0 0.0 9 41
231 B 242 ARG R H H X TS+ 0 0 -57.6 -44.9 179.6 50.1 107.5 23.5 227 -2.5 235 -2.4 0 0.0 0 0.0 8 31
232 B 243 HIS H H H X TS+ 0 0 -61.9 -43.6 -179.9 49.1 109.9 24.4 228 -2.2 236 -1.2 0 0.0 0 0.0 10 32
233 B 244 LEU L H H < >TS+ 0 0 -63.9 -40.2 178.7 51.0 110.4 26.1 229 -1.9 238 -2.6 0 0.0 0 0.0 13 40
234 B 245 GLU E H H < >5TS+ 0 0 -59.1 -49.2 -179.7 49.6 110.5 15.8 230 -2.3 237 -2.0 0 0.0 0 0.0 9 27
235 B 246 ARG R H H < 35TS+ 0 0 -62.3 -22.6 179.5 49.8 111.4 44.3 231 -2.4 0 0.0 0 0.0 0 0.0 7 20
236 B 247 LEU L T h < 35TS- 0 0 -100.1 10.3 -179.8 -120.1 112.0 74.0 232 -1.2 0 0.0 0 0.0 0 0.0 6 26
237 B 248 SER S T T <5T + 0 0 57.2 28.3 178.1 152.6 59.6 40.1 234 -2.0 0 0.0 0 0.0 0 0.0 6 23
238 B 249 VAL V t T - 0 0 -121.6 97.6 179.8 -177.4 20.0 148.7 152 -3.4 246 -1.8 0 0.0 0 0.0 8 38
244 B 255 PRO P T T 3 TS+ 0 0 -64.6 -16.1 -180.0 66.1 84.6 45.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
245 B 256 ALA A T T 3 TS+ 0 0 -80.7 -11.0 179.6 100.8 75.8 54.4 0 0.0 247 -0.6 0 0.0 0 0.0 5 42
246 B 257 LEU L t < T + 0 0 -77.6 118.1 -178.9 170.7 55.3 131.7 243 -1.8 0 0.0 0 0.0 0 0.0 11 53
247 B 258 VAL V - 0 0 -134.1 156.5 178.9 -160.3 32.3 158.2 245 -0.6 0 0.0 0 0.0 0 0.0 11 55
248 B 259 ARG R - 0 0 -134.6 105.6 -177.8 -175.2 8.7 158.2 0 0.0 0 0.0 0 0.0 0 0.0 10 55
249 B 260 GLY G + 0 0 -73.7 -33.4 -178.9 97.4 52.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 11 58
250 B 261 LEU L S t > TS- 0 0 -62.1 142.3 -178.2 -124.5 77.9 106.5 0 0.0 253 -1.5 0 0.0 0 0.0 8 53
251 B 262 ASP D T T 3 TS+ 0 0 -63.1 -16.5 -179.4 60.4 103.7 52.1 0 0.0 0 0.0 0 0.0 0 0.0 7 50
252 B 263 TYR Y T T 3 TS+ 0 0 -92.5 -4.5 178.3 99.1 79.8 56.4 0 0.0 273 -1.4 0 0.0 0 0.0 8 53
253 B 264 TYR Y t < T + 0 0 -82.9 133.1 -177.8 178.0 53.4 132.3 250 -1.5 0 0.0 0 0.0 0 0.0 14 57
254 B 265 VAL V E E A H - 0 270 -138.4 152.6 179.3 -31.3 39.7 163.8 270 -1.7 270 -0.5 0 0.0 0 0.0 16 62
255 B 266 ARG R E E A * S+ 0 0 43.6 -131.6 -177.7 53.8 104.2 92.6 156 -1.8 155 -1.7 0 0.0 0 0.0 15 70
256 B 267 THR T E E AF* + 154 0 -37.1 133.4 176.7 165.8 54.1 81.5 0 0.0 270 -2.0 0 0.0 0 0.0 13 75
257 B 268 ALA A E E AFH + 153 269 -146.8 144.6 -179.3 166.3 9.7 166.5 153 -1.9 153 -1.8 0 0.0 0 0.0 16 71
258 B 269 PHE F E E AFH - 152 268 -161.2 161.1 -179.8 -168.7 16.5 173.9 268 -2.2 268 -2.6 0 0.0 0 0.0 13 63
259 B 270 GLU E E E AFH - 151 267 -151.2 155.3 178.1 -141.0 16.3 168.3 151 -2.4 151 -3.8 0 0.0 0 0.0 12 58
260 B 271 VAL V E E AFH - 150 266 -122.8 119.8 -178.8 -164.6 24.5 171.7 266 -2.4 265 -2.5 0 0.0 266 -1.0 13 53
261 B 272 HIS H E E AFH 149 264 -106.1 155.7 178.9 999.9 999.9 136.3 149 -3.3 149 -3.0 0 0.0 0 0.0 11 47
262!B 273 HIS H e 0 0 -142.2 999.9 999.9 999.9 999.9 173.1 263 -1.9 0 0.0 0 0.0 0 0.0 9 41
263!B 280 SER S e 0 0 999.9 -27.2 179.5 999.9 999.9 999.9 0 0.0 262 -1.9 0 0.0 0 0.0 4 31
264 B 281 ALA A E E AH - 261 0 -72.9 124.7 -179.8 -170.4 999.9 125.0 0 0.0 0 0.0 0 0.0 0 0.0 8 41
265 B 282 LEU L E E A* - 0 0 -85.1 -29.9 -179.6 -36.7 65.0 38.5 260 -2.5 291 -1.4 0 0.0 0 0.0 13 49
266 B 283 GLY G E E AHI + 260 290 -178.3 173.9 -179.5 164.7 60.9 166.4 260 -1.0 260 -2.4 0 0.0 0 0.0 12 58
267 B 284 GLY G E E AHI + 259 289 177.6 -175.3 -179.5 159.1 1.9 167.9 289 -2.1 289 -1.9 0 0.0 0 0.0 13 61
268 B 285 GLY G E E AHI - 258 288 173.3 -144.6 -179.5 -170.4 9.3 155.8 258 -2.6 258 -2.2 0 0.0 0 0.0 11 62
269 B 286 GLY G E E AHI - 257 287 151.0 -172.1 -178.4 -33.8 42.8 160.6 287 -2.0 287 -1.2 0 0.0 0 0.0 15 68
270 B 287 ARG R E E AHI + 254 286 -84.3 144.5 -178.4 177.0 39.7 123.4 256 -2.0 254 -1.7 254 -0.5 0 0.0 14 63
271 B 288 TYR Y e > T + 0 0 -147.1 62.2 -177.6 165.3 8.0 111.0 285 -2.3 274 -1.4 0 0.0 0 0.0 12 64
272 B 289 ASP D T T 3 TS+ 0 0 -57.0 -23.3 -179.2 53.3 70.4 50.0 0 0.0 283 -0.7 0 0.0 0 0.0 13 58
273 B 290 GLY G T h > 3 TS+ 0 0 -98.5 6.9 -178.6 89.2 80.1 65.6 252 -1.4 277 -1.2 0 0.0 0 0.0 13 47
274 B 291 LEU L H H > < TS+ 0 0 -69.5 -37.8 -179.7 57.0 82.6 29.6 271 -1.4 278 -1.1 0 0.0 0 0.0 12 53
275 B 292 SER S H H 4 >>TS+ 0 0 -59.4 -50.2 179.8 46.4 107.5 20.1 0 0.0 280 -2.4 0 0.0 278 -1.0 13 48
276 B 293 GLU E H H 4 >5TS+ 0 0 -60.9 -32.9 179.7 62.4 105.7 31.1 0 0.0 279 -1.2 0 0.0 0 0.0 10 38
277 B 294 LEU L H H < 35TS+ 0 0 -61.7 -29.8 -179.4 45.8 105.9 35.8 273 -1.2 0 0.0 0 0.0 0 0.0 8 38
278 B 295 LEU L T h < <5TS- 0 0 -93.0 -3.9 179.1 -95.2 129.6 62.4 274 -1.1 0 0.0 275 -1.0 0 0.0 9 36
279 B 296 GLY G T T <5TS+ 0 0 105.1 3.5 -179.7 115.7 87.1 61.4 276 -1.2 0 0.0 0 0.0 0 0.0 6 30
280 B 297 GLY G t AE T - 115 0 -83.6 125.2 179.3 -150.5 12.8 134.1 265 -1.4 295 -2.3 0 0.0 0 0.0 12 55
292 B 309 VAL V H H > TS+ 0 0 -57.6 -44.7 179.6 49.0 100.4 23.3 114 -2.8 296 -2.8 290 -0.5 0 0.0 13 58
293 B 310 GLU E H H > TS+ 0 0 -64.7 -36.8 179.0 53.6 108.5 29.4 114 -0.6 297 -2.0 0 0.0 0 0.0 10 52
294 B 311 ARG R H H > TS+ 0 0 -62.0 -44.2 -179.5 45.4 112.3 22.4 0 0.0 298 -2.1 0 0.0 0 0.0 9 48
295 B 312 VAL V H H X TS+ 0 0 -66.6 -44.3 178.8 53.4 109.1 24.1 291 -2.3 299 -2.7 0 0.0 0 0.0 12 58
296 B 313 ALA A H H X TS+ 0 0 -59.6 -35.7 178.9 49.4 110.6 29.7 292 -2.8 300 -2.3 0 0.0 0 0.0 11 51
297 B 314 LEU L H H X TS+ 0 0 -69.1 -42.5 179.3 50.9 109.3 22.5 293 -2.0 301 -3.0 0 0.0 0 0.0 8 40
298 B 315 ALA A H H X TS+ 0 0 -60.1 -43.0 179.2 47.6 111.8 22.8 294 -2.1 302 -1.7 0 0.0 0 0.0 11 40
299 B 316 LEU L H H < >TS+ 0 0 -62.4 -45.6 179.0 49.9 112.1 21.3 295 -2.7 304 -2.1 0 0.0 0 0.0 12 44
300 B 317 GLU E H H < >5TS+ 0 0 -57.9 -45.0 179.5 54.1 107.8 25.0 296 -2.3 303 -1.8 0 0.0 0 0.0 9 32
301 B 318 ALA A H H < 35TS+ 0 0 -59.4 -35.6 179.1 52.2 106.0 32.2 297 -3.0 0 0.0 0 0.0 0 0.0 7 26
302 B 319 GLU E T h < 35TS- 0 0 -80.8 1.8 179.6 -108.0 123.9 65.3 298 -1.7 0 0.0 0 0.0 0 0.0 7 26
303 B 320 GLY G T T <5T + 0 0 88.6 -2.8 179.8 164.3 59.1 65.6 300 -1.8 0 0.0 0 0.0 0 0.0 6 19
304 B 321 PHE F t TS- 0 0 -119.2 169.4 -179.7 -110.2 87.7 139.7 367 -0.7 324 -0.5 0 0.0 0 0.0 11 32
321 B 338 GLU E H H > > TS+ 0 0 -67.3 -35.1 179.8 53.4 119.0 32.9 0 0.0 324 -0.7 0 0.0 325 -0.6 9 29
322 B 339 GLU E H H > 3 TS+ 0 0 -70.4 -26.0 -179.1 61.1 101.7 38.0 0 0.0 326 -1.0 0 0.0 0 0.0 6 29
323 B 340 ALA A H H > 3 TS+ 0 0 -74.7 -17.7 179.3 75.6 86.0 47.9 0 0.0 327 -2.4 0 0.0 0 0.0 14 42
324 B 341 VAL V H H X < TS+ 0 0 -58.4 -48.8 179.1 42.5 100.0 19.0 321 -0.7 328 -1.5 320 -0.5 0 0.0 15 37
325 B 342 ALA A H H X TS+ 0 0 -64.6 -41.7 -179.9 52.7 113.2 25.8 321 -0.6 329 -2.4 0 0.0 0 0.0 8 33
326 B 343 GLU E H H X TS+ 0 0 -64.3 -32.3 179.4 54.9 105.4 33.3 322 -1.0 330 -2.2 0 0.0 0 0.0 11 44
327 B 344 ALA A H H X TS+ 0 0 -67.0 -37.2 179.4 48.6 109.0 27.4 323 -2.4 331 -2.5 0 0.0 0 0.0 13 52
328 B 345 PHE F H H X TS+ 0 0 -67.3 -44.9 -179.4 50.0 110.5 22.7 324 -1.5 332 -2.6 0 0.0 0 0.0 10 38
329 B 346 TYR Y H H X TS+ 0 0 -62.5 -40.0 179.8 46.5 113.3 27.7 325 -2.4 333 -1.3 0 0.0 0 0.0 8 40
330 B 347 LEU L H H X TS+ 0 0 -68.7 -47.4 179.3 48.9 112.1 21.1 326 -2.2 334 -1.0 0 0.0 0 0.0 9 51
331 B 348 ALA A H H X > TS+ 0 0 -59.3 -42.3 179.4 51.9 110.5 23.6 327 -2.5 335 -1.1 0 0.0 334 -0.9 12 47
332 B 349 GLU E H H < 3 TS+ 0 0 -63.4 -30.8 179.6 55.6 105.6 32.8 328 -2.6 0 0.0 0 0.0 0 0.0 9 31
333 B 350 ALA A H H < 3 TS+ 0 0 -73.2 -19.9 -179.1 46.2 110.3 45.2 329 -1.3 0 0.0 0 0.0 0 0.0 6 35
334 B 351 LEU L H H X < TS+ 0 0 -97.2 -15.7 -179.8 132.3 97.0 53.2 330 -1.0 338 -1.8 331 -0.9 0 0.0 11 38
335 B 352 ARG R T h < T + 0 0 -90.0 155.1 -1.1 7.4 58.4 126.2 331 -1.1 0 0.0 0 0.0 0 0.0 9 26
336 B 353 PRO P T T 4 TS+ 0 0 -96.0 6.2 -179.7 56.9 122.2 169.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
337 B 354 ARG R T T 4 TS+ 0 0 -60.2 -32.9 179.4 32.2 120.0 31.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
338 B 355 LEU L S t < TS- 0 0 -122.3 149.8 176.9 -121.4 87.6 155.2 334 -1.8 340 -0.9 0 0.0 0 0.0 9 37
339 B 356 ARG R e + 0 0 -91.8 108.4 -178.7 173.4 42.4 146.3 0 0.0 314 -2.0 0 0.0 313 -1.6 10 39
340 B 357 ALA A E E Ck + 314 0 -124.0 124.5 -179.9 176.2 6.2 165.5 338 -0.9 0 0.0 0 0.0 0 0.0 13 52
341 B 358 GLU E E E Ck - 315 0 -119.7 168.9 -178.1 -163.6 7.1 137.6 314 -3.3 316 -3.4 0 0.0 0 0.0 10 50
342 B 359 TYR Y E E Ck - 316 0 -152.6 154.3 178.9 -110.2 23.9 174.1 0 0.0 0 0.0 0 0.0 0 0.0 11 57
343 B 360 ALA A e - 0 0 -84.1 146.7 -179.7 -142.5 20.8 127.2 316 -2.0 0 0.0 0 0.0 0 0.0 10 47
344 B 361 LEU L S S S+ 0 0 -86.2 -11.0 179.9 46.0 81.0 54.8 0 0.0 0 0.0 0 0.0 0 0.0 6 34
345 B 362 ALA A S S S- 0 0 -130.3 154.9 179.7 -102.1 89.5 158.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
346 B 363 PRO P + 0 0 -69.6 164.6 177.9 164.9 44.2 105.0 0 0.0 0 0.0 0 0.0 0 0.0 12 35
347 B 364 ARG R - 0 0 -168.4 166.2 179.9 -72.1 43.3 163.8 318 -0.8 0 0.0 0 0.0 0 0.0 10 31
348 B 365 LYS K h > T - 0 0 -67.2 150.4 -179.9 -116.4 45.3 111.0 0 0.0 352 -2.6 0 0.0 0 0.0 7 28
349 B 366 PRO P H H > TS+ 0 0 -52.8 -45.8 -178.7 51.1 114.9 25.2 0 0.0 353 -2.9 0 0.0 0 0.0 9 40
350 B 367 ALA A H H > TS+ 0 0 -61.7 -44.1 179.4 46.2 111.1 26.8 0 0.0 354 -1.8 0 0.0 0 0.0 6 29
351 B 368 LYS K H H > TS+ 0 0 -66.6 -40.5 179.9 49.6 113.8 24.9 0 0.0 355 -1.8 0 0.0 0 0.0 8 28
352 B 369 GLY G H H X TS+ 0 0 -62.3 -47.3 179.7 48.6 110.5 19.9 348 -2.6 356 -2.0 0 0.0 0 0.0 10 43
353 B 370 LEU L H H X TS+ 0 0 -58.8 -35.9 179.4 57.0 108.4 30.0 349 -2.9 357 -1.8 0 0.0 0 0.0 10 45
354 B 371 GLU E H H X TS+ 0 0 -62.4 -40.6 -179.7 48.6 106.2 27.7 350 -1.8 358 -1.7 0 0.0 0 0.0 8 34
355 B 372 GLU E H H X TS+ 0 0 -70.3 -35.1 179.2 55.4 106.9 30.6 351 -1.8 359 -1.8 0 0.0 0 0.0 8 38
356 B 373 ALA A H H < >TS+ 0 0 -64.8 -37.7 179.3 50.7 107.3 29.1 352 -2.0 361 -2.4 0 0.0 0 0.0 12 44
357 B 374 LEU L H H < >5TS+ 0 0 -64.9 -45.5 -179.3 49.1 110.0 22.6 353 -1.8 360 -1.2 0 0.0 0 0.0 9 37
358 B 375 LYS K H H < 35TS+ 0 0 -63.3 -33.9 -178.9 49.9 111.1 32.6 354 -1.7 0 0.0 0 0.0 0 0.0 7 29
359 B 376 ARG R T h < 35TS- 0 0 -85.8 -0.1 178.9 -122.2 111.9 63.6 355 -1.8 0 0.0 0 0.0 0 0.0 8 32
360 B 377 GLY G T T <5T + 0 0 63.8 34.7 179.1 175.7 45.7 34.6 357 -1.2 311 -0.5 0 0.0 0 0.0 9 33
361 B 378 ALA A t T - 0 0 -130.5 -175.3 -180.0 -76.3 64.5 134.0 0 0.0 372 -2.8 0 0.0 0 0.0 10 44
369 B 386 GLU E H H > TS+ 0 0 -50.7 -45.1 -179.5 53.0 127.4 27.2 0 0.0 373 -2.3 0 0.0 0 0.0 9 29
370 B 387 ASP D H H > TS+ 0 0 -60.4 -53.1 -180.0 40.0 112.7 20.3 0 0.0 374 -1.6 0 0.0 0 0.0 7 29
371 B 388 GLU E H H > >TS+ 0 0 -68.1 -31.0 179.4 56.9 113.4 30.7 0 0.0 376 -2.7 0 0.0 375 -1.0 11 38
372 B 389 LEU L H H < 5TS+ 0 0 -64.7 -43.7 179.8 45.4 108.4 21.6 368 -2.8 0 0.0 0 0.0 0 0.0 12 35
373 B 390 ARG R H H < 5TS+ 0 0 -68.1 -31.5 -179.5 43.8 118.5 33.5 369 -2.3 0 0.0 0 0.0 0 0.0 7 23
374 B 391 ALA A H H < 5TS- 0 0 -90.9 -5.8 -178.9 -124.9 107.0 58.6 370 -1.6 0 0.0 0 0.0 0 0.0 7 20
375 B 392 GLY G T h < 5TS+ 0 0 61.5 43.1 -179.0 117.8 72.6 21.4 371 -1.0 392 -1.6 0 0.0 0 0.0 8 30
376 B 393 GLU E E E C M CL > T - 363 0 -71.7 109.2 -177.7 -155.2 18.9 128.2 386 -2.7 385 -2.4 0 0.0 384 -0.6 11 43
382 B 399 LEU L T e 4 3 TS+ 0 0 -54.5 -47.5 -179.3 55.7 86.0 25.8 362 -1.7 0 0.0 380 -0.9 0 0.0 11 38
383 B 400 ALA A T T 4 3 TS+ 0 0 -58.6 -32.6 -179.3 21.9 124.7 37.3 362 -0.6 0 0.0 0 0.0 0 0.0 5 29
384 B 401 THR T T T 4 < TS- 0 0 -115.1 -6.2 179.7 -127.2 95.9 60.1 381 -0.6 0 0.0 0 0.0 0 0.0 5 19
385 B 402 GLY G t < T + 0 0 77.5 -9.3 179.7 153.7 53.7 69.9 381 -2.4 0 0.0 0 0.0 0 0.0 7 25
386 B 403 GLU E e - 0 0 -57.1 123.5 -179.8 -164.0 25.7 110.2 0 0.0 381 -2.7 0 0.0 0 0.0 7 24
387 B 404 GLN Q E E CM + 380 0 -118.4 129.3 -178.7 177.9 9.9 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
388 B 405 VAL V E E CM - 379 0 -131.0 153.8 179.4 -142.0 23.6 157.7 379 -2.8 379 -3.4 0 0.0 390 -0.6 7 33
389 B 406 ARG R E E CM + 378 0 -115.4 115.4 -179.7 160.1 34.8 162.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
390 B 407 LEU L E E CM - 377 0 -134.8 162.6 179.2 -99.6 40.1 154.7 377 -2.5 377 -2.8 388 -0.6 0 0.0 10 35
391 B 408 SER S E E >CM > T - 376 0 -75.9 158.1 -179.4 -111.1 37.8 113.0 0 0.0 394 -1.1 0 0.0 395 -0.8 10 33
392 B 409 ARG R G e 4 > TS+ 0 0 -59.9 -33.1 -179.7 59.5 116.0 34.2 375 -1.6 395 -0.6 0 0.0 0 0.0 10 40
393 B 410 GLU E G T 4 3 TS+ 0 0 -66.9 -25.0 -177.8 48.0 107.2 39.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
394 B 411 GLU E G h > < TS+ 0 0 -91.8 -13.8 -178.5 84.1 88.7 54.0 391 -1.1 398 -2.7 0 0.0 0 0.0 8 27
395 B 412 VAL V H H X < TS+ 0 0 -58.4 -49.0 -179.9 49.2 88.5 22.7 391 -0.8 399 -2.8 392 -0.6 0 0.0 10 48
396 B 413 PRO P H H > TS+ 0 0 -55.8 -52.5 -179.1 42.4 116.6 15.6 0 0.0 400 -2.3 0 0.0 0 0.0 9 42
397 B 414 GLY G H H > TS+ 0 0 -60.2 -46.3 -179.4 49.5 115.1 23.5 0 0.0 401 -2.3 0 0.0 0 0.0 7 31
398 B 415 TYR Y H H X TS+ 0 0 -60.0 -47.6 -179.4 47.3 112.3 22.5 394 -2.7 402 -1.8 0 0.0 0 0.0 8 36
399 B 416 LEU L H H X TS+ 0 0 -62.9 -38.7 180.0 50.1 112.6 28.6 395 -2.8 403 -2.3 0 0.0 0 0.0 8 46
400 B 417 LEU L H H < TS+ 0 0 -68.3 -39.0 178.9 49.8 109.5 28.7 396 -2.3 0 0.0 0 0.0 0 0.0 8 29
401 B 418 GLN Q H H < TS+ 0 0 -67.3 -32.6 -179.0 43.6 116.6 32.8 397 -2.3 0 0.0 0 0.0 0 0.0 7 22
402 B 419 ALA A H H < TS+ 0 0 -83.0 -31.7 -179.2 44.7 115.9 36.3 398 -1.8 0 0.0 0 0.0 0 0.0 6 31
403 B 420 LEU L h < T 0 0 -97.9 16.3 -179.7 999.9 999.9 79.0 399 -2.3 0 0.0 0 0.0 0 0.0 6 30
404 B 421 GLY G 0 0 -70.2 999.9 999.9 999.9 999.9 108.4 0 0.0 0 0.0 0 0.0 0 0.0 4 16
1h4vB.pdb
1H4V TRNA SYNTHETASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT HHHHHHHHHHHHHHHHHHHHTT EE SEEEGGGG S S EEE TTS EEEE SHHHHHHHHHHTTGGGSSSSEEEEEE Kabs/Sand
chirality ----+++--++-+++++++++++++++++++-+-------++--++++---+ +-++---+-+-----++-+++++++++++-++++--+--+-+-+ chirality
bends SS SSSSSSSSSSSSSSSSSSSSS S SSSS S S SSS SSSSSSSSSSSS SSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >>><<< >33< >33X>3<< 3-turns
bridge-2 CCC DDDDDD bridge-2
bridge-1 aa BBB CCC BBB aa bridge-1
sheets AA BBB BBB BBBB AAAAAA sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >444< >>>>XXXX<<<< 4-turns
summary tTTt hHHHHHHHHHHHHHHHHHHHHhTtEEe eEEEeGGGg S SeEEEeTTteEEEEe hHHHHHHHHHHhgGGGgSSSEEEEEE summary
sequence TARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFEKGVGAKEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMKVWPQPVRLWMA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE EEEEEEEEEES HHHHHHHHHHHHHHHHHTT S EEEEEE HHHHHHHHHHHHHHHGGGGGGS HHHHHHHHH GGGGGG H Kabs/Sand
chirality ---+-+- ++-+---+--++-+-+++++++++++++++++-+-++----+-----+++++++++++++++++++++--++++++++--++++++-+-+ chirality
bends S S SSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS SSS SSSSSSSSS SSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >>3XX3<<>>3<<>33< >>>XX<<< >3 3-turns
bridge-2 DDDD EEEEEEE ggg bridge-2
bridge-1 DDDDDDDDDD FFFFFF bridge-1
sheets AAAA AAAAAAAAAA AAAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>XXXXXXXXX<<<< >444<>>>>> 4-turns
summary EEEEe eEEEEEEEEEEe hHHHHHHHHHHHHHHHHHhTt S EEEEEEe hHHHHHHHHHHHHHHHhGGGGGghHHHHHHHHHhGGGGGGg hH summary
sequence GPMFRAERPYRQFHQVNYEALGSENPILDAEAVVLLYECLKELGLRRLKVKLSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLEENPMRILDSKSE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHH GGGG HHHHHHHHHHHHHHHHTT EEE TT STT EEEEEEEE EEEEEEE TTHHHHTT EEEEEEEHHHHHHHHH Kabs/Sand
chirality ++++++++-----++++--++++++++++++++++-+-+----+++--+-+++-+++--- --++--++++++++-+--+--++-----+++++++++ chirality
bends SSSSSSSSS SSSS SSSSSSSSSSSSSSSSS SS SSS S SSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >5555< >5 5-turns
3-turns 3< >>><<< >33< >33< >33< >33<>>3<< > 3-turns
bridge-2 H**HHHHH IIIII IIIII bridge-2
bridge-1 ggg FFFFFF H*HHHHH EEEEEEE bridge-1
sheets AAA AAAAAAAA AAAAAAA AAAAAAA sheets
4-turns >>XXXX<<<< >>>>XXXXXXXXXX<<<< >>44<< >>>>XXXX<< 4-turns
summary HHHHHHHHHh gGGGGghHHHHHHHHHHHHHHHHhTteEEEeTTt tTTtEEEEEEEEeeEEEEEEEeThHHHHhTt eEEEEEEEHHHHHHHHH summary
sequence RDQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPYELEPALVRGLDYYVRTAFEVHHSALGGGGRYDGLSELLGGPRVPGVGFAFGVERVALALE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HTT SEEEEESSHHHHHHHHHHHHHHTTTS EEE SS HHHHHHHHHHTT SEEEEE HHHHHHTEEEEEETTT EEEEEGGGHHHHHH Kabs/Sand
chirality +-+---------+-----+-+++++++++++++++++-++---+-+--++++++++++-+-+----+-+++++-+------++-+-+-+--+++++++++ chirality
bends SS S SSSSSSSSSSSSSSSS SSS SS SSSSSSSSSSS S SSSSSSS SSS SSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTT TTTTT TTTTTTTTTT turns
5-turns 555< >5555< >5555< 5-turns
3-turns 33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 kkk LLLL MMMMM bridge-2
bridge-1 jjjjj kkk jjjjj LLLL MMMMM bridge-1
sheets CCCCC CCC CCCCC CCCCCC CCCCC sheets
4-turns << >>>>XXXXXXXX<>>>XXXX<<<< >>>><<<< >444< >44>X>>XX< 4-turns
summary HhTt eEEEEEehHHHHHHHHHHHHHHhTTteEEEeSS hHHHHHHHHHHhTteEEEEEhHHHHHHhEEEEEEeTTteEEEEEeThHHHHHH summary
sequence AEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEALRPRLRAEYALAPRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLATGEQVRLSREEVPGYLL sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HH Kabs/Sand
chirality ++ chirality
bends SS bends
turns TTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns <<< 4-turns
summary HHh summary
sequence QALG sequence
Messages
chain break between 55(B 56 ) and 56(B 63 )
chain break between 109(B 116 ) and 110(B 121 )
chain break between 262(B 273 ) and 263(B 280 )