Secondary structure calculation program - copyright by David Keith Smith, 1989
1hrkA.pdb
1HRK LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 359
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 65 ARG R 0 0 999.9 128.1 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 17
2 A 66 LYS K - 0 0 -73.3 145.4 179.9 -91.8 999.9 116.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
3 A 67 PRO P - 0 0 -59.3 137.0 -179.4 -179.5 39.0 106.5 0 0.0 0 0.0 0 0.0 0 0.0 12 37
4 A 68 LYS K e + 0 0 -104.8 -42.3 -178.9 35.0 68.2 38.6 92 -2.7 119 -2.1 0 0.0 120 -1.9 13 39
5 A 69 THR T E E Aab - 120 93 -123.1 124.5 179.9 -161.3 66.6 165.3 92 -2.0 94 -2.4 0 0.0 0 0.0 14 57
6 A 70 GLY G E E Aab - 121 94 -107.7 130.9 178.9 -157.1 4.7 152.0 120 -2.9 122 -2.6 0 0.0 8 -0.7 14 65
7 A 71 ILE I E E Aab - 122 95 -106.9 108.6 -179.9 -154.9 10.0 155.2 94 -2.8 96 -2.5 0 0.0 9 -0.9 12 71
8 A 72 LEU L E E Aab - 123 96 -86.9 107.5 -179.8 -153.2 6.5 138.9 122 -2.6 124 -2.5 6 -0.7 10 -0.8 14 74
9 A 73 MET M E E Aab - 124 97 -85.0 109.3 -178.1 -156.7 14.6 137.1 96 -3.0 98 -2.5 7 -0.9 0 0.0 14 74
10 A 74 LEU L E E Aab + 125 98 -94.5 133.1 178.7 140.7 27.7 137.3 124 -2.0 126 -2.9 8 -0.8 0 0.0 15 68
11 A 75 ASN N E E A b - 0 99 -159.0 161.0 -179.8 -113.7 57.0 164.8 98 -1.5 100 -1.7 0 0.0 0 0.0 13 71
12 A 76 MET M - 0 0 -67.3 -43.7 -178.9 -153.4 55.4 20.3 0 0.0 101 -2.1 0 0.0 0 0.0 10 69
13 A 77 GLY G - 0 0 93.4 172.4 179.2 -120.9 4.3 103.5 0 0.0 0 0.0 0 0.0 0 0.0 10 58
14 A 78 GLY G - 0 0 -149.3 154.1 180.0 -82.1 36.2 167.9 0 0.0 0 0.0 0 0.0 0 0.0 15 59
15 A 79 PRO P - 0 0 -62.5 130.3 -179.8 -152.6 30.5 113.5 0 0.0 66 -2.7 0 0.0 0 0.0 12 54
16 A 80 GLU E S S S+ 0 0 -71.9 -33.4 179.6 15.3 79.7 32.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
17 A 81 THR T S g > TS- 0 0 -135.1 165.8 -179.9 -102.8 86.8 153.3 0 0.0 20 -1.9 0 0.0 0 0.0 9 37
18 A 82 LEU L G G > TS+ 0 0 -59.3 -29.1 180.0 63.8 119.8 34.7 64 -0.6 21 -1.1 0 0.0 0 0.0 11 36
19 A 83 GLY G G G 3 TS+ 0 0 -68.0 -18.8 -179.4 55.6 97.8 44.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
20 A 84 ASP D G h > < TS+ 0 0 -89.5 -9.6 -178.6 87.6 83.4 56.8 17 -1.9 24 -1.7 0 0.0 0 0.0 10 42
21 A 85 VAL V H H > < TS+ 0 0 -55.5 -52.8 -178.8 53.3 83.5 21.6 18 -1.1 25 -2.4 0 0.0 0 0.0 13 49
22 A 86 HIS H H H > TS+ 0 0 -51.8 -52.9 -178.9 42.3 111.9 24.3 0 0.0 26 -2.3 0 0.0 0 0.0 10 39
23 A 87 ASP D H H > TS+ 0 0 -66.5 -30.2 178.4 59.3 110.4 35.1 0 0.0 27 -2.6 0 0.0 0 0.0 10 41
24 A 88 PHE F H H X TS+ 0 0 -60.2 -51.7 -179.5 40.4 111.0 16.4 20 -1.7 28 -1.7 0 0.0 0 0.0 12 48
25 A 89 LEU L H H X TS+ 0 0 -66.7 -37.8 179.6 55.8 113.1 29.4 21 -2.4 29 -2.7 0 0.0 0 0.0 12 49
26 A 90 LEU L H H X TS+ 0 0 -60.6 -51.8 -179.9 45.9 108.3 18.1 22 -2.3 30 -1.1 0 0.0 0 0.0 12 44
27 A 91 ARG R H H < TS+ 0 0 -58.8 -38.6 -179.7 51.4 114.0 27.3 23 -2.6 0 0.0 0 0.0 0 0.0 10 46
28 A 92 LEU L H H < > TS+ 0 0 -65.3 -47.7 -179.8 47.8 108.8 21.9 24 -1.7 31 -1.3 0 0.0 0 0.0 8 49
29 A 93 PHE F H H < 3 TS+ 0 0 -70.9 -11.4 178.6 57.0 108.4 50.9 25 -2.7 0 0.0 0 0.0 0 0.0 12 37
30 A 94 LEU L T h < 3 TS+ 0 0 -93.8 -7.0 -178.8 106.3 83.1 58.3 26 -1.1 32 -0.6 0 0.0 0 0.0 10 34
31 A 95 ASP D t > X T - 0 0 -81.4 116.8 -179.4 -172.3 47.7 129.5 28 -1.3 35 -1.5 0 0.0 34 -0.7 9 48
32 A 96 ARG R T T 4 3 TS+ 0 0 -75.5 -34.4 -179.8 66.3 81.1 35.1 30 -0.6 0 0.0 0 0.0 0 0.0 6 37
33 A 97 ASP D T T 4 3 TS+ 0 0 -70.6 10.0 -179.5 28.6 118.5 68.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
34 A 98 LEU L T T 4 < TS+ 0 0 -138.0 -26.1 -175.3 19.0 128.3 60.7 31 -0.7 0 0.0 0 0.0 0 0.0 7 42
35 A 99 MET M t < T - 0 0 -160.7 137.8 178.4 -159.4 46.4 165.9 31 -1.5 37 -0.5 0 0.0 0 0.0 8 40
36 A 100 THR T + 0 0 -118.8 118.1 -179.8 169.8 24.4 165.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
37 A 101 LEU L t > T - 0 0 -126.5 150.8 179.3 -103.7 39.2 157.7 35 -0.5 40 -1.1 0 0.0 0 0.0 7 22
38 A 102 PRO P T T 3 TS+ 0 0 -69.7 150.7 -178.9 1.3 108.3 116.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
39 A 103 ILE I T h > > TS+ 0 0 35.3 48.6 -177.9 176.1 86.8 31.3 0 0.0 43 -2.6 0 0.0 42 -2.0 6 17
40 A 104 GLN Q H H > < T + 0 0 -52.0 -38.8 179.7 62.3 67.8 36.7 37 -1.1 44 -2.7 0 0.0 0 0.0 10 24
41 A 105 ASN N H H 4 3 TS+ 0 0 -62.9 -20.0 179.5 34.2 115.9 42.8 0 0.0 0 0.0 0 0.0 0 0.0 7 23
42 A 106 LYS K H H > < TS+ 0 0 -99.9 -45.3 179.9 43.9 121.3 34.4 39 -2.0 46 -1.2 0 0.0 0 0.0 7 23
43 A 107 LEU L H H X TS+ 0 0 -70.4 -33.7 -179.7 66.2 104.5 32.0 39 -2.6 47 -3.7 0 0.0 0 0.0 10 27
44 A 108 ALA A H H X TS+ 0 0 -53.7 -58.0 180.0 38.6 106.6 16.3 40 -2.7 48 -2.3 0 0.0 0 0.0 12 31
45 A 109 PRO P H H > TS+ 0 0 -63.9 -29.1 179.8 52.7 118.2 32.2 0 0.0 49 -2.0 0 0.0 0 0.0 10 31
46 A 110 PHE F H H X TS+ 0 0 -70.2 -49.4 -179.8 44.7 109.8 19.4 42 -1.2 50 -2.4 0 0.0 0 0.0 8 26
47 A 111 ILE I H H X TS+ 0 0 -62.4 -38.2 179.2 54.1 112.4 26.7 43 -3.7 51 -2.0 0 0.0 0 0.0 10 33
48 A 112 ALA A H H X TS+ 0 0 -60.0 -46.9 -179.7 48.0 109.5 19.5 44 -2.3 52 -1.6 0 0.0 0 0.0 13 35
49 A 113 LYS K H H < TS+ 0 0 -62.1 -41.7 -179.2 47.9 112.4 26.1 45 -2.0 0 0.0 0 0.0 0 0.0 9 30
50 A 114 ARG R H H < TS+ 0 0 -73.1 -25.7 179.6 43.8 115.6 38.1 46 -2.4 0 0.0 0 0.0 0 0.0 7 23
51 A 115 LEU L H H X TS+ 0 0 -90.6 -17.6 -178.0 84.6 92.4 48.1 47 -2.0 55 -2.4 0 0.0 0 0.0 9 31
52 A 116 THR T H H X TS+ 0 0 -52.5 -49.2 -180.0 52.4 86.5 26.0 48 -1.6 56 -3.5 0 0.0 0 0.0 11 35
53 A 117 PRO P H H > TS+ 0 0 -54.2 -51.7 -179.4 42.3 113.6 19.3 0 0.0 57 -2.2 0 0.0 0 0.0 8 29
54 A 118 LYS K H H > TS+ 0 0 -63.1 -40.6 -179.8 45.8 118.2 28.3 0 0.0 58 -1.7 0 0.0 0 0.0 7 31
55 A 119 ILE I H H X TS+ 0 0 -71.8 -40.0 178.3 51.7 111.0 25.7 51 -2.4 59 -2.2 0 0.0 0 0.0 9 42
56 A 120 GLN Q H H X TS+ 0 0 -60.8 -40.1 179.9 53.2 108.8 24.7 52 -3.5 60 -2.1 0 0.0 0 0.0 11 37
57 A 121 GLU E H H X TS+ 0 0 -61.1 -42.5 178.7 52.7 106.0 25.7 53 -2.2 61 -2.3 0 0.0 0 0.0 8 32
58 A 122 GLN Q H H X TS+ 0 0 -59.6 -46.6 179.5 45.7 111.5 20.5 54 -1.7 62 -0.7 0 0.0 0 0.0 10 40
59 A 123 TYR Y H H < >TS+ 0 0 -66.6 -31.0 178.9 56.3 108.5 33.7 55 -2.2 64 -3.2 0 0.0 65 -0.8 14 41
60 A 124 ARG R H H < >5TS+ 0 0 -65.2 -40.9 -179.7 58.7 101.5 22.7 56 -2.1 63 -1.8 0 0.0 0 0.0 10 32
61 A 125 ARG R H H < 35TS+ 0 0 -61.4 -21.1 179.2 45.0 108.6 44.7 57 -2.3 0 0.0 0 0.0 0 0.0 8 34
62 A 126 ILE I T h < 35TS- 0 0 -106.8 11.2 178.9 -72.6 137.7 72.6 58 -0.7 0 0.0 0 0.0 0 0.0 10 35
63 A 127 GLY G T T <5TS- 0 0 119.5 -5.6 178.7 -63.4 81.1 66.2 60 -1.8 0 0.0 0 0.0 0 0.0 6 31
64 A 128 GLY G S t T + 0 0 -91.5 2.3 -178.6 106.8 65.2 67.0 0 0.0 71 -2.5 0 0.0 0 0.0 10 46
68 A 132 ILE I H H > TS+ 0 0 -48.6 -48.8 -179.4 48.0 78.4 27.0 0 0.0 72 -3.1 0 0.0 0 0.0 11 54
69 A 133 LYS K H H > TS+ 0 0 -62.4 -40.7 179.6 51.0 111.2 25.2 0 0.0 73 -2.6 0 0.0 0 0.0 10 48
70 A 134 ILE I H H > TS+ 0 0 -60.9 -48.9 -179.8 41.0 115.8 19.0 0 0.0 74 -2.2 0 0.0 0 0.0 7 42
71 A 135 TRP W H H X TS+ 0 0 -66.8 -41.4 179.5 52.3 114.2 25.9 67 -2.5 75 -2.5 0 0.0 0 0.0 12 48
72 A 136 THR T H H X TS+ 0 0 -60.5 -44.1 179.5 48.5 110.8 24.1 68 -3.1 76 -2.9 0 0.0 0 0.0 12 57
73 A 137 SER S H H X TS+ 0 0 -62.1 -47.0 179.6 49.0 111.4 22.7 69 -2.6 77 -2.7 0 0.0 0 0.0 9 47
74 A 138 LYS K H H X TS+ 0 0 -60.2 -43.4 179.7 45.8 114.5 24.2 70 -2.2 78 -2.1 0 0.0 0 0.0 9 38
75 A 139 GLN Q H H X TS+ 0 0 -66.0 -43.6 -180.0 50.4 112.7 23.3 71 -2.5 79 -2.8 0 0.0 0 0.0 12 53
76 A 140 GLY G H H X TS+ 0 0 -61.6 -42.7 179.1 49.9 110.0 26.0 72 -2.9 80 -2.6 0 0.0 0 0.0 12 55
77 A 141 GLU E H H X TS+ 0 0 -61.6 -47.8 179.8 45.9 113.4 20.1 73 -2.7 81 -2.1 0 0.0 0 0.0 9 41
78 A 142 GLY G H H X TS+ 0 0 -61.4 -43.4 179.7 51.3 112.6 23.9 74 -2.1 82 -1.8 0 0.0 0 0.0 11 40
79 A 143 MET M H H X TS+ 0 0 -58.1 -51.7 -179.9 49.2 109.4 20.9 75 -2.8 83 -2.7 0 0.0 0 0.0 12 54
80 A 144 VAL V H H X TS+ 0 0 -56.4 -47.2 179.7 54.9 107.1 25.0 76 -2.6 84 -2.6 0 0.0 0 0.0 12 50
81 A 145 LYS K H H X TS+ 0 0 -53.4 -47.4 -179.5 42.9 113.0 22.4 77 -2.1 85 -0.8 0 0.0 0 0.0 8 39
82 A 146 LEU L H H X > TS+ 0 0 -67.0 -42.5 -179.7 54.7 111.1 25.4 78 -1.8 86 -3.0 0 0.0 85 -0.7 10 39
83 A 147 LEU L H H X 3 TS+ 0 0 -59.9 -42.0 179.8 58.4 100.9 27.6 79 -2.7 87 -3.3 0 0.0 0 0.0 14 46
84 A 148 ASP D H H < 3 TS+ 0 0 -59.0 -28.6 179.6 38.0 115.2 36.2 80 -2.6 0 0.0 0 0.0 0 0.0 12 37
85 A 149 GLU E H H < < TS+ 0 0 -88.5 -41.5 179.9 47.0 118.8 29.9 81 -0.8 0 0.0 82 -0.7 0 0.0 7 28
86 A 150 LEU L H H < TS+ 0 0 -65.3 -46.2 -177.3 24.5 126.8 23.8 82 -3.0 0 0.0 0 0.0 0 0.0 7 30
87 A 151 SER S h < > T + 0 0 -124.9 73.1 -179.9 163.3 62.0 128.0 83 -3.3 90 -2.0 0 0.0 0 0.0 9 34
88 A 152 PRO P G G > TS+ 0 0 -58.4 -29.5 -179.6 66.2 76.2 34.4 0 0.0 91 -1.0 0 0.0 0 0.0 9 29
89 A 153 ASN N G G 3 TS+ 0 0 -67.6 -15.3 179.6 37.4 108.4 49.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
90 A 154 THR T G G < TS+ 0 0 -117.2 5.8 179.7 151.0 103.5 71.7 87 -2.0 0 0.0 0 0.0 0 0.0 9 42
91 A 155 ALA A g < T + 0 0 -85.7 161.4 0.1 62.6 34.7 116.3 88 -1.0 0 0.0 0 0.0 0 0.0 11 36
92 A 156 PRO P S e S- 0 0 -72.1 143.1 178.2 -166.5 74.5 62.7 0 0.0 4 -2.7 0 0.0 5 -2.0 11 39
93 A 157 HIS H E E Ab - 5 0 -98.1 149.7 179.2 -171.4 6.1 137.2 0 0.0 0 0.0 0 0.0 0 0.0 13 50
94 A 158 LYS K E E Ab - 6 0 -141.9 135.3 179.3 -142.4 12.6 175.7 5 -2.4 7 -2.8 0 0.0 0 0.0 10 56
95 A 159 TYR Y E E Ab - 7 0 -99.4 146.8 178.2 -169.1 14.1 139.1 0 0.0 0 0.0 0 0.0 0 0.0 11 64
96 A 160 TYR Y E E Ab - 8 0 -131.5 144.1 179.4 -132.3 17.9 168.7 7 -2.5 9 -3.0 0 0.0 98 -0.5 11 62
97 A 161 ILE I E E Ab - 9 0 -101.6 126.5 179.2 -175.4 19.5 149.9 0 0.0 99 -0.5 0 0.0 0 0.0 13 59
98 A 162 GLY G E E Ab - 10 0 -123.3 92.8 179.0 -175.9 5.7 147.8 9 -2.5 11 -1.5 96 -0.5 0 0.0 16 60
99 A 163 PHE F E E Aba - 11 105 -87.1 143.4 -178.7 -141.7 22.3 132.1 104 -2.9 106 -1.5 97 -0.5 0 0.0 13 61
100 A 164 ARG R S e S+ 0 0 -71.7 -44.1 -176.2 15.2 93.3 22.5 11 -1.7 0 0.0 0 0.0 0 0.0 13 60
101 A 165 TYR Y S S S+ 0 0 -117.5 4.6 178.0 45.7 121.1 67.8 12 -2.1 0 0.0 0 0.0 0 0.0 13 53
102 A 166 VAL V S S S- 0 0 -140.6 165.4 179.4 -43.3 92.6 158.2 0 0.0 0 0.0 0 0.0 0 0.0 14 48
103 A 167 HIS H S S S+ 0 0 -75.4 139.3 -0.4 45.4 117.6 120.9 0 0.0 0 0.0 0 0.0 0 0.0 7 46
104 A 168 PRO P S S S- 0 0 -78.6 131.6 -179.8 -160.5 92.4 64.5 0 0.0 99 -2.9 0 0.0 0 0.0 9 41
105 A 169 LEU L B h > a T - 99 0 -75.6 158.9 179.8 -109.3 30.3 109.8 0 0.0 109 -2.4 0 0.0 0 0.0 12 48
106 A 170 THR T H H > TS+ 0 0 -52.2 -47.1 -179.4 51.1 121.1 22.5 99 -1.5 110 -2.4 0 0.0 0 0.0 14 55
107 A 171 GLU E H H > TS+ 0 0 -60.1 -40.1 179.8 50.1 108.7 30.4 0 0.0 111 -2.1 0 0.0 0 0.0 10 45
108 A 172 GLU E H H > TS+ 0 0 -67.5 -38.3 179.5 50.5 110.6 27.8 0 0.0 112 -1.8 0 0.0 0 0.0 10 37
109 A 173 ALA A H H X TS+ 0 0 -65.3 -45.3 -179.6 48.9 110.3 22.3 105 -2.4 113 -2.8 0 0.0 0 0.0 13 56
110 A 174 ILE I H H X TS+ 0 0 -61.0 -42.5 -179.7 53.6 109.1 23.5 106 -2.4 114 -2.8 0 0.0 0 0.0 10 58
111 A 175 GLU E H H X TS+ 0 0 -60.3 -39.0 179.9 44.7 111.9 28.2 107 -2.1 115 -2.2 0 0.0 0 0.0 8 43
112 A 176 GLU E H H X TS+ 0 0 -72.5 -42.3 179.2 52.3 111.3 24.5 108 -1.8 116 -2.5 0 0.0 0 0.0 8 40
113 A 177 MET M H H < >TS+ 0 0 -57.5 -46.8 179.4 44.6 113.5 21.1 109 -2.8 118 -1.5 0 0.0 0 0.0 12 46
114 A 178 GLU E H H < >5TS+ 0 0 -62.3 -46.3 179.0 51.5 112.7 21.5 110 -2.8 117 -1.8 0 0.0 0 0.0 11 40
115 A 179 ARG R H H < 35TS+ 0 0 -60.0 -33.5 179.6 57.3 104.4 34.5 111 -2.2 0 0.0 0 0.0 0 0.0 7 31
116 A 180 ASP D T h < 35TS- 0 0 -75.8 -5.4 179.2 -128.1 110.3 56.9 112 -2.5 0 0.0 0 0.0 0 0.0 8 31
117 A 181 GLY G T T <5T - 0 0 59.8 46.7 179.5 -172.8 37.0 23.8 114 -1.8 0 0.0 0 0.0 0 0.0 10 33
118 A 182 LEU L t >T - 0 0 -131.8 138.6 179.7 -135.4 38.6 173.2 0 0.0 136 -2.3 0 0.0 134 -1.3 10 63
132 A 196 CYS C T T 35TS+ 0 0 -62.9 -23.2 -179.4 56.9 109.8 37.1 0 0.0 0 0.0 0 0.0 0 0.0 9 65
133 A 197 SER S T T 35TS+ 0 0 -82.8 -15.3 179.3 23.0 120.3 53.2 0 0.0 0 0.0 0 0.0 0 0.0 8 60
134 A 198 THR T T h > <5TS+ 0 0 -112.6 -83.7 179.5 16.3 137.9 50.7 131 -1.3 138 -1.9 0 0.0 0 0.0 11 60
135 A 199 THR T H H > 5TS+ 0 0 -59.0 -45.2 -179.9 55.2 127.2 22.9 0 0.0 139 -2.6 0 0.0 0 0.0 16 65
136 A 200 GLY G H H > TS+ 0 0 -60.5 -41.4 179.7 48.9 110.8 27.6 0 0.0 141 -1.6 0 0.0 0 0.0 12 66
138 A 202 SER S H H X TS+ 0 0 -66.8 -40.1 179.7 48.9 111.4 26.5 134 -1.9 142 -1.2 0 0.0 0 0.0 14 67
139 A 203 LEU L H H X TS+ 0 0 -67.2 -37.3 178.6 54.9 107.7 28.3 135 -2.6 143 -2.0 0 0.0 0 0.0 10 71
140 A 204 ASN N H H X TS+ 0 0 -61.2 -39.1 -180.0 58.3 102.6 27.2 136 -2.4 144 -3.4 0 0.0 0 0.0 12 61
141 A 205 ALA A H H X TS+ 0 0 -58.5 -38.6 -179.9 49.8 105.1 29.9 137 -1.6 145 -2.1 0 0.0 0 0.0 11 63
142 A 206 ILE I H H X TS+ 0 0 -67.7 -46.2 178.6 43.9 113.8 21.5 138 -1.2 146 -1.5 0 0.0 0 0.0 12 71
143 A 207 TYR Y H H X TS+ 0 0 -61.9 -49.7 -179.9 49.8 115.1 17.5 139 -2.0 147 -2.2 0 0.0 0 0.0 11 54
144 A 208 ARG R H H X TS+ 0 0 -57.8 -38.0 -179.9 60.8 103.6 32.3 140 -3.4 148 -3.3 0 0.0 0 0.0 8 42
145 A 209 TYR Y H H X TS+ 0 0 -57.2 -49.2 -179.5 38.1 110.9 21.4 141 -2.1 149 -2.9 0 0.0 0 0.0 9 41
146 A 210 TYR Y H H X >TS+ 0 0 -71.7 -34.6 179.0 52.1 116.3 31.7 142 -1.5 151 -1.5 0 0.0 150 -0.8 11 39
147 A 211 ASN N H H < 5TS+ 0 0 -65.7 -42.9 -179.6 42.2 116.0 23.0 143 -2.2 0 0.0 0 0.0 0 0.0 9 29
148 A 212 GLN Q H H < 5TS+ 0 0 -70.1 -47.4 -179.3 50.5 112.1 22.6 144 -3.3 0 0.0 0 0.0 0 0.0 7 22
149 A 213 VAL V H H < 5TS- 0 0 -66.6 -14.1 179.1 -132.8 106.2 48.3 145 -2.9 0 0.0 0 0.0 0 0.0 6 23
150 A 214 GLY G T h < 5T + 0 0 66.1 35.5 179.7 100.1 67.9 33.5 146 -0.8 0 0.0 0 0.0 0 0.0 6 17
151 A 215 ARG R S t T + 0 0 -168.5 54.8 -179.2 157.4 18.3 99.9 128 -3.0 166 -1.1 0 0.0 0 0.0 8 61
164 A 228 PRO P T T 3 TS+ 0 0 -61.1 -24.4 -178.5 32.0 79.8 46.7 0 0.0 0 0.0 0 0.0 0 0.0 10 53
165 A 229 THR T T T 3 TS+ 0 0 -125.2 23.8 179.5 153.3 72.7 82.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
166 A 230 HIS H h > X T - 0 0 -55.8 126.4 -177.1 -129.6 48.4 110.2 163 -1.1 170 -2.4 0 0.0 169 -0.6 9 51
167 A 231 HIS H H H > 3 TS+ 0 0 -50.6 -38.5 179.7 47.4 105.2 35.7 0 0.0 171 -2.1 0 0.0 0 0.0 7 36
168 A 232 LEU L H H > 3 TS+ 0 0 -74.8 -32.5 178.4 53.0 109.7 30.9 0 0.0 172 -2.1 0 0.0 0 0.0 10 41
169 A 233 LEU L H H > < TS+ 0 0 -63.4 -45.9 180.0 48.2 110.9 19.0 166 -0.6 173 -2.2 0 0.0 0 0.0 10 58
170 A 234 ILE I H H X TS+ 0 0 -60.2 -43.8 179.8 52.4 109.5 24.6 166 -2.4 174 -2.8 0 0.0 0 0.0 13 55
171 A 235 GLN Q H H X TS+ 0 0 -61.8 -38.7 179.3 52.3 107.6 27.4 167 -2.1 175 -2.9 0 0.0 0 0.0 10 45
172 A 236 CYS C H H X TS+ 0 0 -62.5 -47.6 179.2 45.7 111.4 20.0 168 -2.1 176 -2.5 0 0.0 0 0.0 12 49
173 A 237 PHE F H H X TS+ 0 0 -59.8 -49.9 -179.9 48.3 114.4 18.2 169 -2.2 177 -2.2 0 0.0 0 0.0 11 63
174 A 238 ALA A H H X TS+ 0 0 -56.7 -46.4 179.8 50.5 111.5 23.4 170 -2.8 178 -2.8 0 0.0 0 0.0 12 52
175 A 239 ASP D H H X TS+ 0 0 -58.5 -46.6 -179.5 46.7 111.8 24.1 171 -2.9 179 -2.3 0 0.0 0 0.0 8 43
176 A 240 HIS H H H X TS+ 0 0 -67.0 -32.8 178.7 50.8 112.5 33.7 172 -2.5 180 -1.3 0 0.0 0 0.0 12 45
177 A 241 ILE I H H X TS+ 0 0 -69.4 -46.7 -180.0 48.6 110.6 20.6 173 -2.2 181 -2.4 0 0.0 0 0.0 11 54
178 A 242 LEU L H H X TS+ 0 0 -60.3 -44.7 -179.4 49.2 111.2 22.8 174 -2.8 182 -1.4 0 0.0 0 0.0 9 46
179 A 243 LYS K H H < TS+ 0 0 -67.5 -27.0 179.2 49.2 111.9 35.8 175 -2.3 0 0.0 0 0.0 0 0.0 9 33
180 A 244 GLU E H H < > TS+ 0 0 -78.8 -35.0 178.5 57.2 104.8 30.9 176 -1.3 183 -1.3 0 0.0 0 0.0 13 40
181 A 245 LEU L H H < > TS+ 0 0 -61.4 -30.9 179.0 59.7 101.3 32.7 177 -2.4 184 -1.0 0 0.0 0 0.0 10 42
182 A 246 ASP D T h < 3 TS+ 0 0 -68.5 -21.5 -179.4 61.6 96.4 44.6 178 -1.4 0 0.0 0 0.0 0 0.0 9 33
183 A 247 HIS H T G < TS+ 0 0 -81.8 -13.2 178.3 90.7 86.5 52.0 180 -1.3 0 0.0 0 0.0 0 0.0 6 30
184 A 248 PHE F S g < TS- 0 0 -78.2 156.7 179.1 -84.0 99.6 116.0 181 -1.0 0 0.0 0 0.0 0 0.0 10 33
185 A 249 PRO P g > > T - 0 0 -60.4 135.9 -178.6 -122.8 41.8 114.4 0 0.0 188 -2.5 0 0.0 189 -0.8 7 24
186 A 250 LEU L G G 4 > TS+ 0 0 -47.9 -43.1 -178.9 59.2 110.0 31.4 0 0.0 189 -0.9 0 0.0 0 0.0 6 22
187 A 251 GLU E G G 4 3 TS+ 0 0 -66.1 -9.8 -179.7 41.2 111.5 54.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
188 A 252 LYS K G G > X TS+ 0 0 -116.0 -4.8 -178.6 98.7 83.6 61.8 185 -2.5 192 -1.1 0 0.0 191 -0.7 9 29
189 A 253 ARG R G G < X TS+ 0 0 -49.9 -50.8 -179.0 44.3 87.6 27.2 186 -0.9 192 -0.8 185 -0.8 0 0.0 10 35
190 A 254 SER S G G 4 3 TS+ 0 0 -68.4 -24.2 -179.7 56.3 110.9 41.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
191 A 255 GLU E G G 4 < TS+ 0 0 -81.7 -16.5 -179.1 115.7 80.8 49.7 188 -0.7 0 0.0 0 0.0 0 0.0 8 35
192 A 256 VAL V g < < T - 0 0 -58.2 135.1 177.2 -154.0 53.0 105.6 188 -1.1 0 0.0 189 -0.8 0 0.0 14 46
193 A 257 VAL V E E Bd - 266 0 -111.8 136.3 -178.3 -134.5 11.4 158.6 265 -2.3 267 -2.4 0 0.0 195 -0.5 11 53
194 A 258 ILE I E E Bde - 267 233 -98.1 127.6 177.0 -169.0 15.0 142.5 232 -2.9 234 -1.7 0 0.0 196 -0.7 12 65
195 A 259 LEU L E E Bde - 268 234 -112.3 105.9 176.5 -156.5 10.3 159.1 267 -2.5 269 -2.6 193 -0.5 0 0.0 13 67
196 A 260 PHE F E E Bde - 269 235 -77.8 133.3 -178.9 -160.7 19.0 135.5 234 -2.6 236 -3.2 194 -0.7 0 0.0 13 70
197 A 261 SER S E E Bde + 270 236 -125.6 132.6 179.4 168.2 18.2 166.5 269 -2.4 271 -2.1 0 0.0 272 -0.6 14 69
198 A 262 ALA A E E B e - 0 237 -136.5 152.2 178.9 -85.6 48.0 164.4 236 -1.4 238 -2.2 0 0.0 0 0.0 13 66
199 A 263 HIS H E E B e - 0 238 -56.7 132.0 179.7 -128.8 53.0 110.6 0 0.0 0 0.0 0 0.0 0 0.0 10 62
200 A 264 SER S e - 0 0 -76.8 174.6 177.2 -139.5 14.3 100.5 238 -3.3 0 0.0 0 0.0 0 0.0 11 55
201 A 265 LEU L - 0 0 -134.1 149.9 179.3 -99.7 27.0 165.8 0 0.0 247 -2.6 0 0.0 0 0.0 9 48
202 A 266 PRO P B h > B > T - 246 0 -65.6 146.3 -180.0 -120.9 35.2 116.4 0 0.0 206 -1.8 0 0.0 205 -1.2 11 37
203 A 267 MET M H H > 3 TS+ 0 0 -59.5 -28.4 179.2 66.2 112.3 35.0 245 -3.0 207 -3.4 0 0.0 0 0.0 9 35
204 A 268 SER S H H 4 3 TS+ 0 0 -60.1 -34.3 179.4 43.2 105.5 31.1 245 -0.5 0 0.0 0 0.0 0 0.0 8 34
205 A 269 VAL V H H 4 X>TS+ 0 0 -77.7 -43.2 178.8 48.9 114.0 25.6 202 -1.2 210 -1.5 0 0.0 208 -0.7 9 39
206 A 270 VAL V H H < >5TS+ 0 0 -59.6 -47.5 -178.3 53.0 110.3 18.4 202 -1.8 209 -1.5 0 0.0 0 0.0 13 40
207 A 271 ASN N T h < 35TS+ 0 0 -65.3 -16.2 179.0 62.5 98.5 51.2 203 -3.4 0 0.0 0 0.0 0 0.0 7 28
208 A 272 ARG R T T <5TS- 0 0 -81.5 -19.7 179.6 -91.6 128.5 45.9 205 -0.7 341 -2.1 0 0.0 0 0.0 10 33
209 A 273 GLY G T T <5T + 0 0 121.4 14.4 -179.3 178.0 57.2 56.3 206 -1.5 0 0.0 0 0.0 0 0.0 10 33
210 A 274 ASP D t TS+ 0 0 -66.2 -20.3 -175.8 92.0 77.4 49.3 0 0.0 215 -1.8 0 0.0 0 0.0 12 51
212 A 276 TYR Y H H > TS+ 0 0 -46.7 -62.1 -179.4 49.1 77.4 30.5 0 0.0 216 -3.0 0 0.0 0 0.0 10 57
213 A 277 PRO P H H > TS+ 0 0 -51.6 -45.6 -179.9 47.4 113.3 26.9 0 0.0 217 -2.3 0 0.0 0 0.0 8 53
214 A 278 GLN Q H H > TS+ 0 0 -65.3 -40.4 -180.0 45.9 114.9 25.3 0 0.0 218 -1.5 0 0.0 0 0.0 7 43
215 A 279 GLU E H H X TS+ 0 0 -69.9 -41.8 178.9 49.7 111.9 23.3 211 -1.8 219 -2.0 0 0.0 0 0.0 11 47
216 A 280 VAL V H H X TS+ 0 0 -60.5 -41.7 179.6 53.4 110.1 22.2 212 -3.0 220 -2.2 0 0.0 0 0.0 13 53
217 A 281 SER S H H X TS+ 0 0 -60.3 -35.9 179.5 53.4 105.8 31.3 213 -2.3 221 -2.0 0 0.0 0 0.0 9 49
218 A 282 ALA A H H X TS+ 0 0 -66.0 -41.5 179.3 51.9 106.5 27.4 214 -1.5 222 -2.3 0 0.0 0 0.0 10 40
219 A 283 THR T H H X TS+ 0 0 -59.9 -49.0 179.2 51.5 108.5 20.5 215 -2.0 223 -2.4 0 0.0 0 0.0 12 49
220 A 284 VAL V H H X TS+ 0 0 -54.3 -49.6 -179.3 49.3 109.6 21.2 216 -2.2 224 -2.7 0 0.0 0 0.0 11 58
221 A 285 GLN Q H H X TS+ 0 0 -59.1 -44.0 -179.8 50.2 110.7 24.3 217 -2.0 225 -2.3 0 0.0 0 0.0 8 43
222 A 286 LYS K H H X TS+ 0 0 -61.7 -41.4 179.7 47.3 112.2 26.8 218 -2.3 226 -1.9 0 0.0 0 0.0 10 40
223 A 287 VAL V H H X TS+ 0 0 -66.0 -45.2 -179.7 47.4 113.5 22.5 219 -2.4 227 -1.8 0 0.0 0 0.0 12 49
224 A 288 MET M H H < >TS+ 0 0 -66.3 -35.1 178.3 53.0 109.7 32.5 220 -2.7 229 -2.7 0 0.0 0 0.0 11 45
225 A 289 GLU E H H < >5TS+ 0 0 -65.9 -41.2 179.7 49.0 109.8 22.8 221 -2.3 228 -1.3 0 0.0 0 0.0 8 32
226 A 290 ARG R H H < 35TS+ 0 0 -66.1 -33.0 179.3 51.6 109.6 32.2 222 -1.9 0 0.0 0 0.0 0 0.0 10 29
227 A 291 LEU L T h < >5TS- 0 0 -81.5 0.3 -179.2 -125.8 111.6 64.2 223 -1.8 230 -1.0 0 0.0 0 0.0 9 39
228 A 292 GLU E T T <5T - 0 0 56.0 36.7 179.0 -72.6 57.3 33.1 225 -1.3 0 0.0 0 0.0 0 0.0 6 23
229 A 293 TYR Y T T 3 c T - 237 0 -80.7 141.0 179.9 -131.6 5.5 126.2 0 0.0 254 -2.1 0 0.0 0 0.0 11 43
251 A 315 THR T H H > TS+ 0 0 -57.7 -47.8 -179.6 48.0 106.2 20.9 237 -2.3 255 -2.2 0 0.0 0 0.0 12 55
252 A 316 ASP D H H > TS+ 0 0 -61.1 -48.0 179.7 46.9 112.5 19.4 0 0.0 256 -2.2 0 0.0 0 0.0 9 57
253 A 317 GLU E H H > TS+ 0 0 -62.0 -32.9 -179.8 53.3 112.0 32.2 0 0.0 257 -2.6 0 0.0 0 0.0 8 44
254 A 318 SER S H H X TS+ 0 0 -68.8 -41.5 178.8 50.6 106.5 26.3 250 -2.1 258 -2.8 0 0.0 0 0.0 10 49
255 A 319 ILE I H H X TS+ 0 0 -60.6 -49.0 179.3 43.8 115.0 18.2 251 -2.2 259 -2.1 0 0.0 0 0.0 11 55
256 A 320 LYS K H H X TS+ 0 0 -62.4 -43.2 -179.6 51.5 113.6 23.7 252 -2.2 260 -2.5 0 0.0 0 0.0 11 42
257 A 321 GLY G H H X TS+ 0 0 -61.4 -44.5 178.9 50.2 108.7 25.0 253 -2.6 261 -1.1 0 0.0 0 0.0 8 36
258 A 322 LEU L H H < >>TS+ 0 0 -59.7 -47.9 -180.0 48.8 111.3 20.4 254 -2.8 263 -2.7 0 0.0 261 -0.6 10 42
259 A 323 CYS C H H < >5TS+ 0 0 -59.4 -44.7 -179.4 51.9 109.1 22.6 255 -2.1 262 -1.8 0 0.0 0 0.0 12 36
260 A 324 GLU E H H < 35TS+ 0 0 -64.7 -20.6 -179.7 50.4 111.1 41.9 256 -2.5 0 0.0 0 0.0 0 0.0 8 24
261 A 325 ARG R T h < <5TS- 0 0 -103.8 18.2 177.7 -96.3 126.1 81.8 257 -1.1 0 0.0 258 -0.6 0 0.0 6 21
262 A 326 GLY G T T <5TS+ 0 0 87.3 -2.5 179.1 120.9 88.4 64.8 259 -1.8 264 -1.2 0 0.0 0 0.0 6 23
263 A 327 ARG R t > T - 0 0 -168.4 -174.6 -177.7 -57.5 67.7 156.6 0 0.0 281 -2.3 0 0.0 280 -1.2 11 60
278 A 342 ILE I H H > 3>TS+ 0 0 -49.1 -39.4 -179.7 61.0 126.4 33.7 0 0.0 283 -1.9 0 0.0 282 -1.7 12 57
279 A 343 GLU E H H 4 3>TS+ 0 0 -58.2 -39.5 -178.7 26.6 118.5 29.6 0 0.0 284 -2.2 0 0.0 0 0.0 10 58
280 A 344 THR T H H 4 <>TS+ 0 0 -89.5 -55.4 -178.3 44.3 124.2 20.8 277 -1.2 285 -2.7 0 0.0 0 0.0 10 53
281 A 345 LEU L H H < 5TS+ 0 0 -62.9 -31.2 179.4 15.2 132.6 38.9 277 -2.3 0 0.0 0 0.0 0 0.0 11 51
282 A 346 TYR Y I h X >TS+ 0 0 -108.0 -65.7 -178.1 38.5 129.0 35.9 278 -1.7 287 -2.6 0 0.0 286 -1.6 14 47
283 A 347 GLU E I I 4 XTS+ 0 0 -55.4 -58.2 -179.5 27.2 129.2 17.2 278 -1.9 288 -2.2 0 0.0 0 0.0 11 51
284 A 348 LEU L I I 4 XTS+ 0 0 -72.0 -51.8 -178.0 39.0 129.0 14.4 279 -2.2 289 -2.5 0 0.0 0 0.0 12 57
285 A 349 ASP D I I 4 TS+ 0 0 -95.4 -59.8 -178.5 42.9 128.1 23.9 282 -1.6 291 -2.2 0 0.0 290 -0.7 10 36
287 A 351 GLU E I I 4 XTS+ 0 0 -56.8 -48.6 -178.5 16.9 133.2 23.6 282 -2.6 292 -2.0 0 0.0 0 0.0 10 43
288 A 352 TYR Y I I 4 XTS+ 0 0 -95.0 -45.7 -177.8 39.9 131.0 26.8 283 -2.2 293 -3.1 0 0.0 0 0.0 12 54
289 A 353 SER S I I 4 5TS+ 0 0 -66.6 -44.4 -180.0 51.2 109.6 22.2 0 0.0 297 -1.3 0 0.0 0 0.0 9 30
295 A 359 GLU E H H < 35TS+ 0 0 -63.4 -27.4 -179.5 49.5 111.1 39.1 291 -2.3 0 0.0 0 0.0 0 0.0 7 25
296 A 360 CYS C T h < 35TS- 0 0 -92.6 -0.2 179.3 -115.8 114.5 64.9 292 -1.7 0 0.0 0 0.0 0 0.0 9 30
297 A 361 GLY G T T <5T - 0 0 68.8 43.4 179.0 -178.9 45.1 25.2 294 -1.3 0 0.0 0 0.0 0 0.0 8 29
298 A 362 VAL V t TS+ 0 0 -54.8 -40.5 178.1 137.5 70.5 28.8 0 0.0 310 -2.8 0 0.0 0 0.0 12 57
308 A 372 ASN N T T 3 TS- 0 0 35.5 -110.6 -178.0 -0.8 77.2 88.6 274 -1.6 0 0.0 0 0.0 0 0.0 11 51
309 A 373 GLY G T T 3 TS+ 0 0 -93.8 12.1 179.4 142.1 85.4 74.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
310 A 374 ASN N h > X T - 0 0 -55.5 121.9 -179.8 -141.3 49.9 109.9 307 -2.8 314 -1.3 0 0.0 313 -1.2 8 40
311 A 375 PRO P H H > 3 TS+ 0 0 -55.4 -34.8 -180.0 60.1 100.7 33.1 0 0.0 315 -1.8 0 0.0 0 0.0 7 37
312 A 376 LEU L H H > 3 TS+ 0 0 -65.0 -29.2 179.5 54.8 101.0 36.3 0 0.0 316 -1.8 0 0.0 0 0.0 8 39
313 A 377 PHE F H H > < TS+ 0 0 -72.0 -38.3 178.4 50.6 105.2 27.1 310 -1.2 317 -2.5 0 0.0 0 0.0 14 51
314 A 378 SER S H H X TS+ 0 0 -63.7 -35.4 179.0 53.1 109.8 28.1 310 -1.3 318 -2.5 0 0.0 0 0.0 13 49
315 A 379 LYS K H H X TS+ 0 0 -64.2 -41.3 179.7 51.8 106.6 26.1 311 -1.8 319 -2.7 0 0.0 0 0.0 12 43
316 A 380 ALA A H H X TS+ 0 0 -60.8 -47.4 179.8 49.0 110.0 20.3 312 -1.8 320 -2.3 0 0.0 0 0.0 12 53
317 A 381 LEU L H H X TS+ 0 0 -58.3 -49.4 -179.8 46.2 112.7 21.3 313 -2.5 321 -2.2 0 0.0 0 0.0 9 70
318 A 382 ALA A H H X TS+ 0 0 -61.4 -42.7 179.9 53.1 111.1 23.9 314 -2.5 322 -3.0 0 0.0 0 0.0 12 56
319 A 383 ASP D H H X TS+ 0 0 -59.6 -42.0 179.7 50.2 108.7 25.6 315 -2.7 323 -2.9 0 0.0 0 0.0 8 49
320 A 384 LEU L H H X TS+ 0 0 -62.1 -48.8 -179.8 43.6 113.8 19.4 316 -2.3 324 -2.2 0 0.0 0 0.0 10 58
321 A 385 VAL V H H X TS+ 0 0 -64.2 -41.4 179.9 49.7 115.5 25.6 317 -2.2 325 -2.4 0 0.0 0 0.0 11 67
322 A 386 HIS H H H X TS+ 0 0 -62.7 -52.4 179.9 44.8 112.8 16.3 318 -3.0 326 -2.6 0 0.0 0 0.0 11 51
323 A 387 SER S H H X TS+ 0 0 -60.0 -36.0 179.4 53.9 112.6 29.9 319 -2.9 327 -1.7 0 0.0 0 0.0 8 39
324 A 388 HIS H H H X >TS+ 0 0 -64.3 -44.5 179.6 46.5 109.9 23.8 320 -2.2 329 -1.1 0 0.0 328 -0.7 10 46
325 A 389 ILE I H H < >5TS+ 0 0 -63.5 -45.9 -179.3 50.5 112.4 21.5 321 -2.4 328 -0.9 0 0.0 0 0.0 8 48
326 A 390 GLN Q H H < 35TS+ 0 0 -63.4 -31.5 -179.0 48.8 110.5 37.2 322 -2.6 0 0.0 0 0.0 0 0.0 7 29
327 A 391 SER S H H < 35TS- 0 0 -86.1 -10.0 -178.2 -133.0 99.9 55.2 323 -1.7 0 0.0 0 0.0 0 0.0 6 22
328 A 392 ASN N T h < <5T + 0 0 62.3 20.9 179.2 172.7 44.3 43.5 325 -0.9 0 0.0 324 -0.7 0 0.0 7 32
329 A 393 GLU E t T - 0 0 -71.1 160.5 177.3 -118.2 41.6 109.0 0 0.0 336 -0.5 0 0.0 0 0.0 11 49
333 A 397 LYS K T g 4 > TS+ 0 0 -65.3 -34.0 180.0 64.5 114.8 29.6 0 0.0 336 -1.3 0 0.0 0 0.0 6 29
334 A 398 GLN Q G G 4 > TS+ 0 0 -57.8 -36.6 -179.5 60.7 91.4 33.2 0 0.0 337 -1.8 0 0.0 0 0.0 5 39
335 A 399 LEU L G G 4 3 TS+ 0 0 -65.0 -23.1 -179.7 68.5 91.8 40.4 0 0.0 0 0.0 0 0.0 0 0.0 9 52
336 A 400 THR T G G < < TS+ 0 0 -74.8 -0.5 178.8 66.9 93.8 61.6 333 -1.3 338 -0.5 332 -0.5 0 0.0 8 37
337 A 401 LEU L S g < TS- 0 0 -125.3 106.4 179.0 -158.9 73.8 157.9 334 -1.8 0 0.0 0 0.0 0 0.0 6 35
338 A 402 SER S - 0 0 -76.1 162.6 -179.2 -70.4 45.2 110.7 336 -0.5 0 0.0 0 0.0 0 0.0 8 43
339 A 403 CYS C t > T - 0 0 -54.5 139.7 180.0 -122.7 43.0 103.5 0 0.0 342 -2.0 0 0.0 0 0.0 9 38
340 A 404 PRO P T T 3 TS+ 0 0 -54.4 -29.5 -179.1 33.2 114.0 37.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
341 A 405 LEU L T T 3 TS+ 0 0 -118.7 29.9 178.6 149.2 84.4 93.0 208 -2.1 0 0.0 0 0.0 0 0.0 6 21
342 A 406 CYS C t < T + 0 0 -64.3 134.8 179.3 179.1 20.4 115.8 339 -2.0 0 0.0 0 0.0 0 0.0 9 35
343 A 407 VAL V + 0 0 -120.1 4.9 179.6 100.4 50.2 72.3 0 0.0 0 0.0 0 0.0 0 0.0 4 29
344 A 408 ASN N t > T - 0 0 -97.0 110.8 -179.7 -158.2 57.6 146.2 0 0.0 347 -1.3 0 0.0 0 0.0 6 36
345 A 409 PRO P T h > 3 TS+ 0 0 -59.8 -18.8 -178.8 67.9 87.0 46.8 0 0.0 349 -0.9 0 0.0 0 0.0 6 31
346 A 410 VAL V H H > 3 TS+ 0 0 -73.2 -30.5 -178.9 69.5 84.5 34.0 0 0.0 350 -2.9 0 0.0 0 0.0 8 39
347 A 411 CYS C H H > < TS+ 0 0 -55.3 -41.4 179.9 46.5 100.6 29.3 344 -1.3 351 -2.4 0 0.0 0 0.0 11 48
348 A 412 ARG R H H > TS+ 0 0 -69.8 -36.5 179.4 51.0 112.4 28.8 0 0.0 352 -2.6 0 0.0 0 0.0 8 35
349 A 413 GLU E H H X TS+ 0 0 -65.2 -43.6 179.8 47.2 111.8 24.1 345 -0.9 353 -2.2 0 0.0 0 0.0 9 37
350 A 414 THR T H H X TS+ 0 0 -63.4 -47.4 178.8 50.2 111.9 21.9 346 -2.9 354 -1.7 0 0.0 0 0.0 12 51
351 A 415 LYS K H H X > TS+ 0 0 -54.5 -54.8 -179.8 45.8 113.2 15.5 347 -2.4 355 -2.9 0 0.0 354 -0.6 10 49
352 A 416 SER S H H X 3 TS+ 0 0 -58.6 -35.5 179.5 64.2 104.0 32.6 348 -2.6 356 -2.2 0 0.0 0 0.0 8 38
353 A 417 PHE F H H < 3 TS+ 0 0 -55.3 -43.7 -179.4 32.0 114.2 24.0 349 -2.2 0 0.0 0 0.0 0 0.0 9 50
354 A 418 PHE F H H < X TS+ 0 0 -84.2 -39.1 -179.9 52.2 117.2 29.5 350 -1.7 357 -0.8 351 -0.6 0 0.0 12 54
355 A 419 THR T H H < 3 TS+ 0 0 -67.9 -25.0 -178.0 48.6 112.5 37.1 351 -2.9 0 0.0 0 0.0 0 0.0 9 35
356 A 420 SER S T h < 3 TS+ 0 0 -93.2 -4.3 -178.8 130.3 80.9 61.5 352 -2.2 0 0.0 0 0.0 0 0.0 6 28
357 A 421 GLN Q t < T - 0 0 -54.2 139.1 178.7 -102.6 68.1 99.9 354 -0.8 0 0.0 0 0.0 0 0.0 10 36
358 A 422 GLN Q 0 0 -65.8 133.5 -179.2 999.9 999.9 116.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
359 A 423 LEU L 0 0 98.7 999.9 999.9 999.9 999.9 143.4 0 0.0 0 0.0 0 0.0 0 0.0 4 26
1hrkA.pdb
1HRK LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEE SSGGGHHHHHHHHHT TTT TTHHHHHHHHHHHHHHHHHHHHHHTTSS HHHHHHHHHHHHHHHHHHH GGG SEEEEEEES Kabs/Sand
chirality --+-----+-----+-+++++++++++++-+++-+-++++++++++++++++++++++++--+--+++++++++++++++++++++++++--------+ chirality
bends SSSSSSSSSSSSSSS SSS SS SSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSS S S bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33X33< >3><3< >33< >33< >>3<< 3-turns
bridge-2 bbbbbbb a bridge-2
bridge-1 aaaaaa bbbbbbb bridge-1
sheets AAAAAAA AAAAAAA sheets
4-turns >>>>XXX<<<<>444< >>4>XX>XXX<>XXXX<<<< >>>>XXXXXXXXXXXXX<<<< 4-turns
summary eEEEEEEE SgGGhHHHHHHHHHhtTTTt tThHHHHHHHHHHHHHHHHHHHHHHhTtS hHHHHHHHHHHHHHHHHHHHhGGGgeEEEEEEEe summary
sequence RKPKTGILMLNMGGPETLGDVHDFLLRLFLDRDLMTLPIQNKLAPFIAKRLTPKIQEQYRRIGGGSPIKIWTSKQGEGMVKLLDELSPNTAPHKYYIGFR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSSSBHHHHHHHHHHTT SEEEEEES SS TTTHHHHHHHHHHHHHHHTS SSEEEEE TT HHHHHHHHHHHHHHHTTS GGGGGG EEEEEEE Kabs/Sand
chirality +-+--++++++++++---+------+-+-+-+++++++++++++++++-+---+--+--++++++-+++++++++++++++++--++++++-----+--- chirality
bends SSSS SSSSSSSSSSS S S SS SSSSSSSSSSSSSSSSSS S SS SS SSSSSSSSSSSSSSSSSS SSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33X33< >>3<<>>3XX3<< 3-turns
bridge-2 ccccc eeeeee bridge-2
bridge-1 a aaaaaa ccccc ddddd bridge-1
sheets AAAAAA AAAAA BBBBBBB sheets
4-turns >>>>XXXX<<<< >>>>XXXXXXXXX<<<< >>>>XXXXXXXXX<<<< >44><44< 4-turns
summary SSSShHHHHHHHHHHhTteEEEEEEe SS tTThHHHHHHHHHHHHHHHht SSEEEEE tTThHHHHHHHHHHHHHHHhGggGGGGGGgEEEEEEEe summary
sequence YVHPLTEEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADHILKELDHFPLEKRSEVVILFSAHS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand BHHHHTTT SHHHHHHHHHHHHHHHTTT S EEEEEE SSS BSSSBHHHHHHHHHHTT EEEEEE S SS HHHHIIIIIIIIIIHHHHTT SE Kabs/Sand
chirality --+++++-+-++++++++++++++++--++----+--++++-+-+--+--++++++++++-++++----+++-+-+-++++++++++++++++++----+ chirality
bends SSSSSS SSSSSSSSSSSSSSSSS S S SSS SSS SSSSSSSSSSSS S SS SSSSSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >>>5>XX<>XX<5<33X>3<< >3><3< >>3<< >33< >33< 3-turns
bridge-2 c ffff bridge-2
bridge-1 B eeeeee B c ddddd f bridge-1
sheets BBBBBB BBBBBB B sheets
4-turns >>44<< >>>>XXXXXXXXX<<<< >>>>XXXX<<<< >>44>44<< 4-turns
summary hHHHHhTTthHHHHHHHHHHHHHHHhTTtSeEEEEEE SSS BSSShHHHHHHHHHHhTteEEEEEEeS SS hHHHHhIIIIIIIIhHHHHhTtSE summary
sequence LPMSVVNRGDPYPQEVSATVQKVMERLEYCNPYRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIETLYELDIEYSQVLAKECGVEN sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEE STT HHHHHHHHHHHHHHHHHT SS TGGGS TT THHHHHHHHHHT Kabs/Sand
chirality +-----+-+-++++++++++++++++-+----++++---++++-++++++++++++- chirality
bends SSS SSSSSSSSSSSSSSSSS SS SSSSS SS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33< >>3<< >33< >33< >33X33< 3-turns
bridge-2 bridge-2
bridge-1 fff bridge-1
sheets BBB sheets
4-turns >>>>XXXXXXXXXXX<<<< >444< >>>>XXXX<<<< 4-turns
summary EEEe tTThHHHHHHHHHHHHHHHHHhtSStgGGGg tTTt thHHHHHHHHHHht summary
sequence IRRAESLNGNPLFSKALADLVHSHIQSNELCSKQLTLSCPLCVNPVCRETKSFFTSQQL sequence
310 320 330 340 350