Secondary structure calculation program - copyright by David Keith Smith, 1989
1qusA.pdb
1QUS HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 312
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 40 MET M 0 0 999.9 -91.9 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 41 VAL V - 0 0 -74.1 122.3 -179.9 -160.3 999.9 124.4 0 0.0 0 0.0 0 0.0 0 0.0 3 8
3 A 42 GLU E + 0 0 -107.3 97.5 -179.8 177.5 14.2 150.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
4 A 43 PRO P - 0 0 -65.8 -37.8 -179.8 -164.6 15.3 32.5 0 0.0 0 0.0 0 0.0 0 0.0 4 16
5 A 44 GLN Q t > T + 0 0 50.1 43.1 178.9 161.9 23.7 31.3 0 0.0 8 -1.6 0 0.0 0 0.0 6 17
6 A 45 HIS H T T 3 TS+ 0 0 -57.4 -34.8 -179.4 55.5 72.5 32.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
7 A 46 ASN N T T 3 TS+ 0 0 -79.1 -6.8 178.2 91.7 80.6 61.0 0 0.0 9 -1.5 0 0.0 0 0.0 4 14
8 A 47 VAL V t < T + 0 0 -89.4 81.6 -178.0 146.4 46.3 133.9 5 -1.6 0 0.0 0 0.0 0 0.0 7 22
9 A 48 MET M + 0 0 -99.4 0.9 179.9 70.4 48.4 67.9 7 -1.5 0 0.0 0 0.0 0 0.0 6 31
10 A 49 GLN Q - 0 0 -128.3 107.2 179.4 -162.6 63.3 155.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
11 A 50 MET M - 0 0 -81.4 154.4 179.4 -141.4 11.7 118.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34
12 A 51 GLY G + 0 0 -97.3 -159.4 180.0 73.8 50.5 94.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
13 A 52 GLY G S t > TS- 0 0 87.5 -174.0 -178.3 -38.2 98.9 103.6 0 0.0 16 -1.7 0 0.0 0 0.0 10 29
14 A 53 ASP D T T 3 TS+ 0 0 -62.7 -22.4 -179.0 43.7 138.9 49.0 46 -0.6 0 0.0 0 0.0 0 0.0 9 34
15 A 54 PHE F T T > TS+ 0 0 -110.8 17.3 -178.5 121.0 79.2 77.2 0 0.0 18 -1.6 0 0.0 0 0.0 13 40
16 A 55 ALA A T T < TS+ 0 0 -48.2 -50.1 -178.5 26.7 82.8 37.6 13 -1.7 0 0.0 0 0.0 0 0.0 9 34
17 A 56 ASN N T T 3 TS+ 0 0 -114.1 43.9 -178.6 127.7 90.8 101.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
18 A 57 ASN N h > < T - 0 0 -105.8 113.5 -179.7 -160.5 45.6 152.1 15 -1.6 22 -1.7 0 0.0 0 0.0 8 34
19 A 58 PRO P H H > TS+ 0 0 -58.9 -36.3 179.8 58.4 92.9 32.6 0 0.0 23 -2.5 0 0.0 0 0.0 6 32
20 A 59 ASN N H H > TS+ 0 0 -61.8 -41.5 179.0 48.8 105.7 25.3 0 0.0 24 -2.1 0 0.0 0 0.0 8 41
21 A 60 ALA A H H > TS+ 0 0 -65.6 -40.0 179.3 50.3 111.2 26.5 0 0.0 25 -2.4 0 0.0 0 0.0 10 54
22 A 61 GLN Q H H X TS+ 0 0 -64.0 -45.0 178.6 47.3 111.5 22.9 18 -1.7 26 -2.3 0 0.0 0 0.0 8 43
23 A 62 GLN Q H H X TS+ 0 0 -62.9 -39.0 179.1 52.4 111.5 30.4 19 -2.5 27 -2.0 0 0.0 0 0.0 8 38
24 A 63 PHE F H H X TS+ 0 0 -64.3 -44.8 178.8 50.2 107.7 22.9 20 -2.1 28 -2.3 0 0.0 0 0.0 9 55
25 A 64 ILE I H H X TS+ 0 0 -58.4 -47.3 179.1 52.0 109.6 17.5 21 -2.4 29 -2.4 0 0.0 0 0.0 11 49
26 A 65 ASP D H H X TS+ 0 0 -55.2 -43.5 178.8 50.3 109.4 26.8 22 -2.3 30 -2.9 0 0.0 0 0.0 9 32
27 A 66 LYS K H H X >TS+ 0 0 -62.3 -45.3 -179.1 48.1 110.5 22.9 23 -2.0 31 -3.0 0 0.0 32 -0.5 9 32
28 A 67 MET M H H X 5TS+ 0 0 -64.3 -38.5 179.9 44.7 115.6 27.6 24 -2.3 34 -1.7 0 0.0 32 -1.5 11 37
29 A 68 VAL V H H X 5TS+ 0 0 -68.8 -50.9 -178.8 40.5 120.0 14.8 25 -2.4 33 -1.2 0 0.0 0 0.0 11 30
30 A 69 ASN N H H < 5TS+ 0 0 -63.7 -51.2 -177.6 30.8 126.7 21.2 26 -2.9 0 0.0 0 0.0 0 0.0 8 19
31 A 70 LYS K H H < 5TS+ 0 0 -80.8 -39.5 -176.5 24.2 132.7 28.2 27 -3.0 0 0.0 0 0.0 0 0.0 6 21
32 A 71 HIS H H H < T - 0 0 -97.1 126.1 -179.4 -141.4 16.4 150.5 0 0.0 39 -2.7 0 0.0 0 0.0 7 35
36 A 75 ARG R H H > TS+ 0 0 -52.8 -49.0 -178.9 46.1 99.5 27.9 34 -0.6 40 -2.5 0 0.0 0 0.0 9 36
37 A 76 GLN Q H H > TS+ 0 0 -65.3 -38.2 178.7 50.0 112.8 26.9 0 0.0 41 -1.9 0 0.0 0 0.0 10 34
38 A 77 GLN Q H H > TS+ 0 0 -63.9 -45.4 179.3 45.2 114.1 19.8 0 0.0 42 -1.7 0 0.0 0 0.0 8 41
39 A 78 LEU L H H X TS+ 0 0 -66.6 -37.4 177.4 54.5 110.2 29.0 35 -2.7 43 -2.8 0 0.0 0 0.0 10 50
40 A 79 GLN Q H H X TS+ 0 0 -62.7 -36.5 -179.9 53.5 106.1 29.7 36 -2.5 44 -1.8 0 0.0 0 0.0 11 46
41 A 80 GLU E H H < TS+ 0 0 -65.3 -39.8 179.5 44.7 111.6 24.1 37 -1.9 0 0.0 0 0.0 0 0.0 9 40
42 A 81 A ILE I H H < > TS+ 0 0 -68.5 -51.2 -179.2 45.4 115.9 15.9 38 -1.7 45 -1.4 0 0.0 0 0.0 9 50
43 A 82 LEU L H H < > TS+ 0 0 -67.6 -22.5 178.4 66.9 100.6 40.6 39 -2.8 46 -0.6 0 0.0 0 0.0 11 57
44 A 83 A SER S T h < 3 TS+ 0 0 -68.0 -21.2 179.8 46.7 105.3 41.9 40 -1.8 0 0.0 0 0.0 0 0.0 12 39
45 A 84 GLN Q T T < TS+ 0 0 -93.5 -13.3 -179.9 107.2 88.9 55.8 42 -1.4 0 0.0 0 0.0 0 0.0 8 36
46 A 85 ALA A t < T - 0 0 -68.5 140.7 -178.4 -138.3 64.1 116.7 43 -0.6 14 -0.6 0 0.0 0 0.0 12 50
47 A 86 A LYS K - 0 0 -106.2 140.6 177.1 -132.4 6.7 144.4 0 0.0 49 -0.9 0 0.0 0 0.0 11 46
48 A 87 ARG R - 0 0 -89.9 107.6 -177.2 -155.8 30.5 143.5 0 0.0 50 -0.7 0 0.0 0 0.0 11 45
49 A 88 LEU L h > > T - 0 0 -96.4 112.7 178.8 -165.1 18.7 143.0 47 -0.9 53 -1.5 0 0.0 52 -0.6 9 38
50 A 89 ASP D H H > 3 TS+ 0 0 -57.5 -39.1 -179.9 58.9 91.7 30.9 48 -0.7 54 -2.5 0 0.0 0 0.0 6 28
51 A 90 SER S H H > 3 TS+ 0 0 -60.1 -38.0 179.6 53.1 101.7 32.1 0 0.0 55 -2.4 0 0.0 0 0.0 6 30
52 A 91 VAL V H H > < TS+ 0 0 -65.7 -38.2 179.6 46.7 111.5 27.0 49 -0.6 56 -1.8 0 0.0 0 0.0 12 41
53 A 92 LEU L H H X TS+ 0 0 -70.1 -43.4 178.9 49.8 111.8 23.1 49 -1.5 57 -1.7 0 0.0 0 0.0 11 33
54 A 93 ARG R H H X TS+ 0 0 -61.6 -44.6 -179.1 48.2 112.2 22.7 50 -2.5 58 -2.2 0 0.0 0 0.0 8 23
55 A 94 A LEU L H H < TS+ 0 0 -67.0 -37.0 179.5 50.8 109.6 28.4 51 -2.4 0 0.0 0 0.0 0 0.0 9 25
56 A 95 MET M H H < TS+ 0 0 -69.5 -29.3 178.5 48.4 112.6 33.5 52 -1.8 0 0.0 0 0.0 0 0.0 8 32
57 A 96 ASP D H H < TS+ 0 0 -75.3 -37.8 -179.4 63.0 101.8 28.3 53 -1.7 0 0.0 0 0.0 0 0.0 6 21
58 A 97 ASN N h < T 0 0 -63.6 -11.7 179.8 999.9 999.9 54.1 54 -2.2 0 0.0 0 0.0 0 0.0 5 15
59!A 98 GLN Q 0 0 -127.9 999.9 999.9 999.9 999.9 82.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
60!A 109 GLY G 0 0 999.9 149.3 -0.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
61 A 110 PRO P + 0 0 -64.4 128.6 179.5 140.8 999.9 72.0 0 0.0 0 0.0 0 0.0 0 0.0 10 20
62 A 111 ASN N S S S- 0 0 -124.6 6.4 179.4 -96.0 75.7 74.2 0 0.0 0 0.0 0 0.0 0 0.0 8 18
63 A 112 GLY G h > T + 0 0 84.4 26.0 -178.0 155.5 66.4 45.1 0 0.0 67 -2.0 0 0.0 0 0.0 11 22
64 A 113 ALA A H H > TS+ 0 0 -51.5 -50.3 -179.5 45.2 72.5 30.5 0 0.0 68 -1.8 0 0.0 0 0.0 11 29
65 A 114 TRP W H H > TS+ 0 0 -64.0 -40.7 179.7 57.0 109.4 23.5 269 -1.3 69 -3.1 0 0.0 0 0.0 10 37
66 A 115 LEU L H H > TS+ 0 0 -57.1 -42.3 179.3 47.7 107.8 27.0 269 -1.2 70 -2.0 0 0.0 0 0.0 10 31
67 A 116 ARG R H H < TS+ 0 0 -66.6 -39.9 -179.7 45.8 114.2 25.9 63 -2.0 0 0.0 0 0.0 0 0.0 8 25
68 A 117 TYR Y H H < > TS+ 0 0 -67.9 -45.8 -178.9 52.5 111.5 18.9 64 -1.8 71 -1.4 0 0.0 0 0.0 10 31
69 A 118 ARG R H H X > TS+ 0 0 -57.7 -46.7 -178.5 57.6 102.2 25.3 65 -3.1 73 -2.8 0 0.0 72 -2.1 10 41
70 A 119 LYS K T h < 3 TS+ 0 0 -66.3 -8.8 176.7 69.2 93.1 52.3 66 -2.0 0 0.0 0 0.0 0 0.0 8 32
71 A 120 LYS K T T 4 < TS+ 0 0 -75.9 -23.5 -176.5 18.1 119.4 41.5 68 -1.4 0 0.0 0 0.0 0 0.0 7 33
72 A 121 PHE F T T 4 < TS+ 0 0 -117.7 -34.9 -177.9 68.1 112.9 45.3 69 -2.1 74 -1.2 0 0.0 0 0.0 11 43
73 A 122 ILE I t < T + 0 0 -98.5 85.1 -178.6 130.9 67.1 133.6 69 -2.8 0 0.0 0 0.0 0 0.0 12 44
74 A 123 THR T S h > TS- 0 0 -128.0 160.6 179.5 -105.9 70.4 149.6 72 -1.2 78 -2.9 0 0.0 0 0.0 8 31
75 A 124 PRO P H H > TS+ 0 0 -54.4 -45.0 -179.5 50.5 121.0 20.9 0 0.0 79 -2.9 0 0.0 0 0.0 6 27
76 A 125 ASP D H H > TS+ 0 0 -59.5 -47.0 179.0 44.1 113.8 22.0 0 0.0 80 -2.5 0 0.0 0 0.0 6 28
77 A 126 ASN N H H > TS+ 0 0 -64.5 -46.1 179.4 47.8 114.5 20.6 0 0.0 81 -2.5 0 0.0 0 0.0 11 43
78 A 127 VAL V H H X TS+ 0 0 -61.0 -43.7 178.9 48.7 113.8 20.1 74 -2.9 82 -2.1 0 0.0 0 0.0 13 47
79 A 128 GLN Q H H X TS+ 0 0 -63.3 -42.3 178.0 46.6 112.6 23.5 75 -2.9 83 -1.9 0 0.0 0 0.0 10 35
80 A 129 ASN N H H X TS+ 0 0 -68.3 -32.1 178.0 56.5 109.8 30.4 76 -2.5 84 -2.4 0 0.0 0 0.0 10 40
81 A 130 GLY G H H X TS+ 0 0 -65.0 -40.0 178.4 50.6 104.8 26.6 77 -2.5 85 -2.5 0 0.0 0 0.0 13 53
82 A 131 VAL V H H X TS+ 0 0 -63.2 -42.4 179.8 51.3 109.8 21.2 78 -2.1 86 -2.6 0 0.0 0 0.0 12 44
83 A 132 VAL V H H X TS+ 0 0 -61.3 -42.6 179.5 46.5 111.7 23.3 79 -1.9 87 -2.3 0 0.0 0 0.0 8 39
84 A 133 PHE F H H X TS+ 0 0 -65.5 -48.0 -179.4 50.1 112.0 20.3 80 -2.4 88 -2.4 0 0.0 0 0.0 10 47
85 A 134 TRP W H H < TS+ 0 0 -56.7 -50.4 -179.7 44.9 113.7 20.8 81 -2.5 0 0.0 0 0.0 0 0.0 11 49
86 A 135 ASN N H H < > TS+ 0 0 -62.0 -41.5 -179.7 52.0 112.6 23.6 82 -2.6 89 -1.1 0 0.0 0 0.0 7 34
87 A 136 GLN Q H H < 3 TS+ 0 0 -63.3 -39.5 -178.6 29.8 122.6 27.9 83 -2.3 0 0.0 0 0.0 0 0.0 6 31
88 A 137 TYR Y T h X 3 TS+ 0 0 -112.6 31.3 -178.5 126.2 80.4 89.5 84 -2.4 92 -2.6 0 0.0 0 0.0 10 42
89 A 138 GLU E H H > < TS+ 0 0 -58.5 -39.8 179.4 52.6 72.6 30.3 86 -1.1 93 -2.7 0 0.0 0 0.0 8 41
90 A 139 A ASP D H H > TS+ 0 0 -63.9 -43.7 179.3 45.3 112.1 22.5 0 0.0 94 -2.3 0 0.0 0 0.0 6 33
91 A 140 ALA A H H > TS+ 0 0 -64.5 -42.9 179.0 50.2 113.5 24.1 0 0.0 95 -2.2 0 0.0 0 0.0 10 42
92 A 141 LEU L H H X TS+ 0 0 -61.7 -42.7 179.4 47.1 112.1 21.9 88 -2.6 96 -1.8 0 0.0 0 0.0 14 49
93 A 142 ASN N H H X TS+ 0 0 -65.2 -39.5 -179.7 51.2 111.5 25.3 89 -2.7 97 -2.3 0 0.0 0 0.0 10 37
94 A 143 ARG R H H X TS+ 0 0 -65.9 -36.3 178.7 51.1 108.7 28.7 90 -2.3 98 -2.7 0 0.0 0 0.0 8 39
95 A 144 ALA A H H X TS+ 0 0 -68.7 -35.9 178.6 51.1 109.3 30.9 91 -2.2 99 -2.7 0 0.0 101 -0.8 15 47
96 A 145 A TRP W H H X TS+ 0 0 -65.2 -44.9 -179.1 45.0 113.7 21.3 92 -1.8 100 -1.7 0 0.0 0 0.0 12 39
97 A 146 GLN Q H H < TS+ 0 0 -67.2 -42.7 -178.8 36.3 121.9 25.4 93 -2.3 0 0.0 0 0.0 0 0.0 8 30
98 A 147 VAL V H H < TS+ 0 0 -79.9 -41.8 -176.2 19.8 134.2 25.0 94 -2.7 0 0.0 0 0.0 0 0.0 6 35
99 A 148 TYR Y H H < TS- 0 0 -109.1 -10.9 -179.6 -124.9 91.4 55.8 95 -2.7 0 0.0 0 0.0 0 0.0 9 42
100 A 149 GLY G h < T + 0 0 74.4 15.7 -179.8 132.4 66.4 50.2 96 -1.7 0 0.0 0 0.0 0 0.0 13 37
101 A 150 VAL V - 0 0 -102.9 122.1 -178.8 -125.2 55.4 152.6 95 -0.8 0 0.0 0 0.0 0 0.0 15 51
102 A 151 PRO P h > > T - 0 0 -69.4 151.1 180.0 -117.0 14.7 104.2 0 0.0 106 -1.6 0 0.0 105 -1.0 11 54
103 A 152 PRO P H H > 3 TS+ 0 0 -53.5 -40.3 -179.6 61.1 111.2 29.5 0 0.0 107 -3.2 0 0.0 0 0.0 12 63
104 A 153 A GLU E H H > 3 TS+ 0 0 -59.1 -33.0 178.5 47.8 105.6 31.2 0 0.0 108 -1.9 0 0.0 0 0.0 12 68
105 A 154 ILE I H H > < TS+ 0 0 -71.7 -46.9 -179.5 43.7 114.9 20.0 102 -1.0 109 -2.5 0 0.0 0 0.0 11 75
106 A 155 A ILE I H H X TS+ 0 0 -65.2 -43.2 178.1 47.8 116.0 22.7 102 -1.6 110 -2.4 0 0.0 0 0.0 14 81
107 A 156 VAL V H H X TS+ 0 0 -63.9 -38.8 178.7 51.1 112.4 25.7 103 -3.2 111 -2.0 0 0.0 0 0.0 13 71
108 A 157 GLY G H H X TS+ 0 0 -64.4 -45.1 179.7 47.7 110.4 23.6 104 -1.9 112 -2.6 0 0.0 0 0.0 14 69
109 A 158 ILE I H H X TS+ 0 0 -61.1 -52.2 -179.1 44.8 114.6 17.1 105 -2.5 113 -2.7 0 0.0 0 0.0 10 76
110 A 159 ILE I H H X TS+ 0 0 -64.6 -30.5 177.3 51.9 114.1 31.5 106 -2.4 114 -2.2 0 0.0 116 -1.6 13 72
111 A 160 GLY G H H X TS+ 0 0 -70.0 -47.5 -179.9 41.6 113.2 18.4 107 -2.0 115 -1.8 0 0.0 0 0.0 14 64
112 A 161 VAL V H H < TS+ 0 0 -66.7 -38.4 -177.5 47.6 118.8 24.7 108 -2.6 0 0.0 0 0.0 0 0.0 10 64
113 A 162 GLU E H H < TS- 0 0 -72.2 -44.4 -175.5 -10.5 139.3 22.5 109 -2.7 0 0.0 0 0.0 0 0.0 11 64
114 A 163 THR T H H X >TS- 0 0 -142.7 13.4 -176.0 -106.8 87.0 73.7 110 -2.2 119 -2.5 0 0.0 118 -1.1 13 52
115 A 164 ARG R T h < >5TS- 0 0 52.1 45.3 178.3 -50.7 88.5 19.7 111 -1.8 118 -0.7 0 0.0 0 0.0 12 49
116 A 165 TRP W T T 4 35TS- 0 0 59.0 50.5 177.2 -37.7 115.7 24.2 110 -1.6 0 0.0 0 0.0 0 0.0 13 54
117 A 166 GLY G T T 4 35TS+ 0 0 87.2 1.6 -179.8 106.2 113.9 67.1 0 0.0 0 0.0 0 0.0 0 0.0 9 45
118 A 167 ARG R T T < <5TS+ 0 0 -82.0 -29.7 -179.3 31.6 87.2 39.9 114 -1.1 0 0.0 115 -0.7 0 0.0 6 35
119 A 168 VAL V t AA T - 165 0 -62.5 125.7 -179.0 -140.3 22.8 116.5 0 0.0 128 -2.2 0 0.0 0 0.0 12 46
125 A 174 ILE I H H > TS+ 0 0 -54.9 -39.4 179.9 57.3 101.5 28.0 164 -2.3 129 -2.8 0 0.0 0 0.0 17 59
126 A 175 LEU L H H > TS+ 0 0 -59.5 -43.2 -179.7 47.2 107.1 27.3 161 -0.5 130 -2.4 0 0.0 0 0.0 12 61
127 A 176 ASP D H H > TS+ 0 0 -65.6 -45.6 -178.5 47.3 113.7 21.5 0 0.0 131 -2.5 0 0.0 0 0.0 12 58
128 A 177 ALA A H H X TS+ 0 0 -63.2 -46.9 -178.0 41.7 117.2 18.4 124 -2.2 132 -2.3 0 0.0 0 0.0 17 60
129 A 178 LEU L H H X TS+ 0 0 -71.6 -36.1 178.8 49.0 115.1 31.3 125 -2.8 133 -1.7 0 0.0 0 0.0 14 70
130 A 179 ALA A H H X TS+ 0 0 -68.6 -41.9 179.7 50.5 112.1 21.7 126 -2.4 134 -2.7 0 0.0 0 0.0 16 70
131 A 180 THR T H H X TS+ 0 0 -59.9 -47.0 -178.7 41.3 115.6 19.6 127 -2.5 135 -2.1 0 0.0 0 0.0 14 59
132 A 181 LEU L H H < TS+ 0 0 -74.3 -25.5 -179.9 47.3 117.9 43.6 128 -2.3 0 0.0 0 0.0 0 0.0 15 55
133 A 182 SER S H H < TS+ 0 0 -82.5 -36.9 -174.1 28.2 124.4 33.0 129 -1.7 0 0.0 0 0.0 0 0.0 16 51
134 A 183 PHE F H H < TS+ 0 0 -105.2 -14.9 -179.4 31.2 129.3 53.4 130 -2.7 0 0.0 0 0.0 0 0.0 13 49
135 A 184 ASN N S h < TS+ 0 0 -135.0 32.1 -179.6 71.2 103.7 91.3 131 -2.1 0 0.0 0 0.0 0 0.0 9 45
136 A 185 TYR Y g > > T - 0 0 -149.9 79.2 -179.6 -178.9 50.0 123.6 0 0.0 139 -1.0 0 0.0 140 -0.7 10 42
137 A 186 PRO P G G 4 > TS+ 0 0 -48.0 -40.6 -178.0 68.6 75.7 34.6 0 0.0 140 -0.8 0 0.0 0 0.0 8 27
138 A 187 ARG R G G 4 3 TS+ 0 0 -51.9 -44.4 179.6 10.4 122.9 29.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
139 A 188 ARG R G h > < TS+ 0 0 -125.1 25.9 -179.6 121.0 90.1 82.8 136 -1.0 143 -2.6 0 0.0 0 0.0 9 31
140 A 189 ALA A H H X < TS+ 0 0 -57.1 -41.5 -179.3 51.9 75.5 31.0 137 -0.8 144 -2.4 136 -0.7 0 0.0 12 35
141 A 190 GLU E H H > TS+ 0 0 -63.9 -45.3 178.9 45.6 111.8 20.3 0 0.0 145 -1.6 0 0.0 0 0.0 8 29
142 A 191 TYR Y H H > TS+ 0 0 -60.7 -52.8 -178.8 44.0 117.2 15.3 0 0.0 146 -1.7 0 0.0 0 0.0 8 32
143 A 192 PHE F H H X TS+ 0 0 -65.7 -31.8 176.7 56.9 108.2 33.8 139 -2.6 147 -2.8 0 0.0 0 0.0 11 44
144 A 193 A SER S H H X TS+ 0 0 -65.5 -35.3 177.6 51.0 107.1 27.9 140 -2.4 148 -2.3 0 0.0 0 0.0 14 47
145 A 194 GLY G H H X TS+ 0 0 -66.5 -37.8 179.4 48.8 110.7 26.3 141 -1.6 149 -2.3 0 0.0 0 0.0 9 46
146 A 195 GLU E H H X TS+ 0 0 -68.3 -38.9 179.6 48.7 111.5 24.6 142 -1.7 150 -2.6 0 0.0 0 0.0 12 49
147 A 196 LEU L H H X TS+ 0 0 -66.9 -41.6 178.4 51.7 110.1 26.2 143 -2.8 151 -2.5 0 0.0 0 0.0 13 67
148 A 197 GLU E H H X TS+ 0 0 -58.1 -50.4 179.7 43.3 114.2 16.1 144 -2.3 152 -1.8 0 0.0 0 0.0 9 55
149 A 198 THR T H H X TS+ 0 0 -65.0 -37.6 179.5 55.7 110.8 27.8 145 -2.3 153 -2.8 0 0.0 0 0.0 11 49
150 A 199 PHE F H H X TS+ 0 0 -61.6 -47.1 -179.9 47.5 108.1 21.0 146 -2.6 154 -2.7 0 0.0 0 0.0 10 62
151 A 200 LEU L H H X TS+ 0 0 -63.5 -34.0 178.6 48.6 113.3 29.1 147 -2.5 155 -2.0 0 0.0 0 0.0 9 59
152 A 201 LEU L H H X TS+ 0 0 -72.0 -37.0 178.6 51.1 111.1 27.1 148 -1.8 156 -2.7 0 0.0 0 0.0 8 46
153 A 202 A MET M H H X TS+ 0 0 -63.9 -48.3 -179.8 47.9 110.3 22.0 149 -2.8 157 -3.1 0 0.0 0 0.0 12 48
154 A 203 ALA A H H < >TS+ 0 0 -60.2 -42.6 178.5 50.2 112.4 25.2 150 -2.7 159 -2.5 0 0.0 0 0.0 11 45
155 A 204 A ARG R H H < >5TS+ 0 0 -60.1 -49.3 -179.1 41.1 116.5 17.4 151 -2.0 158 -0.5 0 0.0 0 0.0 9 33
156 A 205 ASP D H H < 35TS+ 0 0 -69.5 -41.3 178.9 41.5 119.3 31.3 152 -2.7 0 0.0 0 0.0 0 0.0 7 28
157 A 206 GLU E T h < 35TS- 0 0 -86.2 2.6 180.0 -122.2 112.2 67.1 153 -3.1 0 0.0 0 0.0 0 0.0 9 32
158 A 207 GLN Q T T <5T + 0 0 58.0 43.3 178.2 151.6 58.3 29.7 155 -0.5 0 0.0 0 0.0 0 0.0 7 21
159 A 208 ASP D t > T - 0 0 -79.0 119.3 -179.4 -140.6 28.1 139.6 0 0.0 163 -2.0 0 0.0 164 -0.5 8 28
161 A 210 PRO P G G 4 > TS+ 0 0 -55.3 -27.7 180.0 57.2 97.8 37.1 0 0.0 164 -0.6 0 0.0 126 -0.5 10 45
162 A 211 LEU L G G 4 3 TS+ 0 0 -79.9 -10.8 -179.0 61.2 98.4 55.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
163 A 212 ASN N G G 4 < TS+ 0 0 -92.1 -10.8 -177.7 96.2 81.4 53.0 160 -2.0 0 0.0 0 0.0 0 0.0 7 36
164 A 213 LEU L e < < T - 0 0 -89.0 133.7 -179.3 -169.7 53.6 132.3 161 -0.6 125 -2.3 160 -0.5 0 0.0 10 50
165 A 214 LYS K E E AA + 124 0 -119.3 156.5 -179.1 123.3 20.9 144.7 0 0.0 0 0.0 0 0.0 0 0.0 12 47
166 A 215 GLY G E E AA - 123 0 -174.7 -149.5 -176.1 -18.0 52.0 146.8 123 -2.7 123 -2.3 0 0.0 0 0.0 16 47
167 A 216 SER S t > T - 0 0 -77.0 174.0 178.1 -100.2 62.3 98.2 171 -2.2 170 -1.6 0 0.0 0 0.0 14 49
168 A 217 A PHE F T T 3 TS+ 0 0 -68.0 -11.2 178.0 47.3 126.2 55.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
169 A 218 ALA A T T 3 TS- 0 0 -111.6 7.9 179.2 -96.7 126.1 74.8 0 0.0 0 0.0 0 0.0 0 0.0 11 60
170 A 219 GLY G t < T + 0 0 89.2 13.1 179.0 154.9 68.8 49.3 167 -1.6 0 0.0 0 0.0 0 0.0 14 64
171 A 220 ALA A - 0 0 -75.8 143.9 -173.3 -150.6 27.0 124.9 0 0.0 167 -2.2 0 0.0 0 0.0 12 62
172 A 221 MET M B B A >T - 177 0 -129.5 149.0 174.0 -19.7 27.6 153.7 177 -2.4 177 -2.3 0 0.0 0 0.0 17 65
173 A 222 GLY G T T >5TS- 0 0 68.6 -166.6 -178.1 -26.7 99.8 93.6 0 0.0 176 -1.4 0 0.0 0 0.0 13 58
174 A 223 TYR Y T T 35TS+ 0 0 -53.3 -40.0 -178.7 34.4 142.5 39.1 197 -1.5 0 0.0 0 0.0 0 0.0 15 56
175 A 224 GLY G T T 35TS- 0 0 -99.1 3.1 -179.2 -122.6 105.2 68.8 0 0.0 0 0.0 0 0.0 0 0.0 13 63
176 A 225 GLN Q T T <5T - 0 0 53.2 53.2 178.1 -173.2 41.6 17.8 173 -1.4 0 0.0 0 0.0 0 0.0 12 62
177 A 226 PHE F B B A > T - 0 0 -78.9 159.7 179.2 -103.4 32.8 119.3 0 0.0 182 -1.9 0 0.0 181 -0.8 10 59
179 A 228 PRO P H H > 3 TS+ 0 0 -53.1 -38.9 -179.2 54.9 123.5 28.1 0 0.0 183 -2.4 0 0.0 0 0.0 14 60
180 A 229 SER S H H > 3 TS+ 0 0 -66.5 -29.7 177.3 51.1 106.5 31.6 0 0.0 184 -2.4 0 0.0 0 0.0 10 42
181 A 230 SER S H H > <>TS+ 0 0 -73.3 -36.8 177.0 52.8 107.6 30.1 178 -0.8 185 -2.9 0 0.0 186 -1.1 10 49
182 A 231 TYR Y H H X 5TS+ 0 0 -59.5 -48.8 -179.0 47.1 112.2 15.8 178 -1.9 186 -1.1 0 0.0 0 0.0 10 52
183 A 232 LYS K H H < 5TS+ 0 0 -58.3 -49.9 -176.5 28.9 124.0 23.2 179 -2.4 0 0.0 0 0.0 0 0.0 9 40
184 A 233 GLN Q H H < 5TS+ 0 0 -87.2 -26.8 -174.4 15.1 136.2 39.8 180 -2.4 0 0.0 0 0.0 0 0.0 6 32
185 A 234 TYR Y H H < 5TS+ 0 0 -128.0 -15.8 -178.7 108.4 85.8 53.5 181 -2.9 0 0.0 0 0.0 0 0.0 11 42
186 A 235 ALA A h < T - 0 0 -112.6 110.1 -179.1 -162.4 21.8 156.5 194 -0.6 199 -2.2 0 0.0 0 0.0 9 51
197 A 246 LEU L T T 3 TS+ 0 0 -64.4 -15.7 178.0 55.6 95.2 50.3 195 -0.6 174 -1.5 0 0.0 0 0.0 14 63
198 A 247 TRP W T T 3 TS+ 0 0 -97.1 4.1 177.4 92.4 85.7 74.7 0 0.0 0 0.0 0 0.0 0 0.0 9 52
199 A 248 ASP D S h > < TS- 0 0 -97.6 122.0 -179.4 -144.6 73.4 154.7 196 -2.2 203 -2.7 0 0.0 0 0.0 9 42
200 A 249 PRO P H H > TS+ 0 0 -58.0 -33.6 179.0 50.4 97.4 33.0 0 0.0 204 -2.2 0 0.0 0 0.0 9 56
201 A 250 VAL V H H > TS+ 0 0 -70.4 -47.6 176.8 45.5 112.5 19.7 0 0.0 205 -2.3 0 0.0 0 0.0 10 47
202 A 251 ASP D H H > TS+ 0 0 -59.7 -40.1 -179.7 51.7 113.7 24.1 0 0.0 206 -2.4 0 0.0 0 0.0 16 51
203 A 252 ALA A H H X TS+ 0 0 -64.3 -41.3 178.9 51.0 107.9 24.6 199 -2.7 207 -2.6 0 0.0 0 0.0 16 68
204 A 253 ILE I H H X TS+ 0 0 -60.4 -48.6 -179.4 43.8 113.8 16.0 200 -2.2 208 -2.3 0 0.0 0 0.0 14 69
205 A 254 GLY G H H X TS+ 0 0 -65.7 -35.3 -178.8 52.2 113.3 29.1 201 -2.3 209 -2.5 0 0.0 0 0.0 15 61
206 A 255 SER S H H X TS+ 0 0 -69.3 -41.9 177.0 48.0 109.2 27.6 202 -2.4 210 -2.3 0 0.0 0 0.0 13 63
207 A 256 VAL V H H X TS+ 0 0 -64.4 -41.7 178.9 50.8 112.7 22.6 203 -2.6 211 -2.4 0 0.0 0 0.0 12 76
208 A 257 ALA A H H X TS+ 0 0 -60.9 -45.4 179.8 46.7 111.3 20.9 204 -2.3 212 -2.4 0 0.0 0 0.0 14 63
209 A 258 ASN N H H X TS+ 0 0 -65.0 -37.8 178.0 54.3 109.6 27.5 205 -2.5 213 -2.8 0 0.0 0 0.0 12 53
210 A 259 TYR Y H H X TS+ 0 0 -60.2 -46.4 -179.7 47.9 110.4 19.8 206 -2.3 214 -1.5 0 0.0 0 0.0 11 55
211 A 260 PHE F H H < >TS+ 0 0 -61.7 -48.4 178.9 46.0 112.4 23.2 207 -2.4 216 -2.3 0 0.0 0 0.0 12 57
212 A 261 LYS K H H < >5TS+ 0 0 -61.8 -41.9 179.9 54.3 111.1 22.4 208 -2.4 215 -1.9 0 0.0 0 0.0 12 43
213 A 262 ALA A H H < 35TS+ 0 0 -62.1 -30.4 178.8 52.1 107.1 36.1 209 -2.8 0 0.0 0 0.0 0 0.0 8 35
214 A 263 HIS H T h < 35TS- 0 0 -93.5 18.7 174.9 -88.8 131.0 84.8 210 -1.5 0 0.0 0 0.0 0 0.0 8 33
215 A 264 GLY G T T <5T + 0 0 93.5 10.9 179.1 172.8 58.3 55.5 212 -1.9 0 0.0 0 0.0 0 0.0 8 31
216 A 265 TRP W t T - 0 0 -100.7 113.4 -178.9 -120.8 19.8 149.9 0 0.0 220 -1.8 0 0.0 0 0.0 10 35
218 A 267 LYS K T T 3 TS+ 0 0 -56.1 124.8 179.3 2.2 91.3 106.8 216 -0.7 0 0.0 0 0.0 0 0.0 7 35
219 A 268 GLY G T T 3 TS+ 0 0 81.6 -7.3 -179.4 131.8 96.8 69.7 0 0.0 0 0.0 0 0.0 0 0.0 5 32
220 A 269 A ASP D t < T - 0 0 -80.3 149.8 179.8 -98.9 64.2 117.9 217 -1.8 0 0.0 0 0.0 0 0.0 6 36
221 A 270 GLN Q - 0 0 -63.6 149.6 178.6 -152.4 21.8 110.1 0 0.0 282 -0.6 0 0.0 0 0.0 7 43
222 A 271 VAL V S e S- 0 0 -87.2 -55.1 179.7 -25.0 71.0 24.0 0 0.0 280 -2.0 0 0.0 283 -0.9 9 61
223 A 272 ALA A E E BB - 279 0 -156.6 155.6 -179.9 -142.2 55.3 165.8 0 0.0 0 0.0 0 0.0 0 0.0 10 61
224 A 273 VAL V E E BB - 278 0 -127.5 126.5 -178.9 -122.2 24.7 172.4 278 -2.1 278 -3.2 0 0.0 0 0.0 13 47
225 A 274 MET M E E BB - 277 0 -69.4 144.0 179.8 -137.6 28.5 112.7 0 0.0 254 -2.5 0 0.0 0 0.0 11 41
226 A 275 ALA A E E BC - 253 0 -103.6 151.4 173.5 -137.5 3.4 137.8 276 -3.0 0 0.0 0 0.0 0 0.0 12 44
227 A 276 ASN N E E BC S+ 252 0 -97.0 142.0 179.0 29.7 74.1 148.0 252 -2.9 252 -1.6 0 0.0 0 0.0 9 32
228 A 277 GLY G S S S- 0 0 101.7 177.2 -179.0 -84.1 85.3 108.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
229 A 278 GLN Q - 0 0 -128.4 145.2 179.1 -169.9 20.4 162.3 0 0.0 0 0.0 0 0.0 0 0.0 10 34
230 A 279 ALA A t > T + 0 0 -132.6 62.5 -179.6 154.2 24.2 117.7 0 0.0 233 -1.1 0 0.0 0 0.0 10 40
231 A 280 PRO P T T 3 T + 0 0 -64.2 -21.9 -178.9 62.2 68.2 44.1 0 0.0 0 0.0 0 0.0 0 0.0 5 31
232 A 281 GLY G T T 3 TS+ 0 0 -80.5 -17.1 -178.8 76.5 90.5 46.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
233 A 282 LEU L S t < TS- 0 0 -101.2 136.1 179.1 -114.8 84.6 140.2 230 -1.1 0 0.0 0 0.0 0 0.0 6 34
234 A 283 PRO P - 0 0 -60.8 144.8 -179.7 -156.6 41.0 112.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
235 A 284 ASN N + 0 0 -125.6 168.5 -179.3 99.2 33.1 143.6 0 0.0 0 0.0 0 0.0 0 0.0 10 38
236 A 285 GLY G E E BD > TS- 265 0 137.9 165.2 -178.3 -74.9 78.1 127.8 265 -3.2 239 -1.5 0 0.0 265 -0.5 10 44
237 A 286 PHE F E E B* 3 TS+ 0 0 -66.5 -18.2 179.4 56.7 126.1 45.5 0 0.0 0 0.0 0 0.0 0 0.0 12 41
238 A 287 LYS K E E B* 3 TS+ 0 0 -88.7 -9.0 179.9 102.5 86.6 58.4 0 0.0 0 0.0 0 0.0 0 0.0 6 35
239 A 288 THR T E E B* < T - 0 0 -74.0 160.8 -179.0 -164.6 52.1 108.2 236 -1.5 0 0.0 0 0.0 0 0.0 10 36
240 A 289 LYS K E E B* + 0 0 -152.4 121.2 -179.5 162.6 13.9 157.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
241 A 290 TYR Y E E BD - 263 0 -136.7 152.8 177.3 -111.7 37.6 163.8 263 -2.5 263 -2.4 0 0.0 0 0.0 11 41
242 A 291 SER S E E >BD T - 262 0 -78.9 157.3 179.1 -115.0 33.8 118.5 0 0.0 246 -1.8 0 0.0 0 0.0 9 34
243 A 292 ILE I H H > TS+ 0 0 -60.8 -31.5 179.0 59.3 118.6 28.0 261 -2.0 247 -2.2 0 0.0 0 0.0 10 41
244 A 293 SER S H H > TS+ 0 0 -62.5 -44.5 179.3 47.4 104.5 25.7 0 0.0 248 -2.2 0 0.0 0 0.0 7 26
245 A 294 GLN Q H H > TS+ 0 0 -64.7 -39.5 -179.5 51.8 110.8 33.1 0 0.0 249 -0.9 0 0.0 0 0.0 8 32
246 A 295 LEU L H H < >TS+ 0 0 -66.3 -36.6 178.1 50.6 109.1 27.7 242 -1.8 251 -1.9 0 0.0 0 0.0 12 42
247 A 296 ALA A H H < >5TS+ 0 0 -65.2 -45.6 179.4 52.6 107.8 19.6 243 -2.2 250 -2.0 0 0.0 0 0.0 9 35
248 A 297 ALA A H H < 35TS+ 0 0 -62.2 -22.1 -179.9 58.1 104.7 43.3 244 -2.2 0 0.0 0 0.0 0 0.0 7 24
249 A 298 ALA A T h < 35TS- 0 0 -86.1 -7.2 178.7 -92.9 130.1 60.1 245 -0.9 0 0.0 0 0.0 0 0.0 10 32
250 A 299 GLY G T T <5TS+ 0 0 106.0 19.7 -179.3 131.8 80.4 50.9 247 -2.0 0 0.0 0 0.0 0 0.0 9 30
251 A 300 LEU L t T - 0 0 -89.7 3.4 179.9 -159.3 24.4 65.5 0 0.0 260 -2.1 0 0.0 0 0.0 7 36
258 A 307 GLY G T T 3 T - 0 0 57.5 -125.1 -179.5 -17.4 66.5 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
259 A 308 ASN N T T 3 TS+ 0 0 -95.3 2.9 178.4 125.0 98.1 70.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
260 A 309 HIS H t < T + 0 0 -65.2 126.6 -178.9 178.7 32.2 121.2 257 -2.1 0 0.0 0 0.0 0 0.0 8 35
261 A 310 GLN Q e + 0 0 -107.4 -9.2 178.7 33.1 64.1 61.8 0 0.0 243 -2.0 0 0.0 0 0.0 6 28
262 A 311 A GLN Q E E BD + 242 0 -142.1 162.1 179.2 173.2 61.1 161.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
263 A 312 ALA A E E BD - 241 0 -163.9 156.8 174.9 -106.7 33.7 167.0 241 -2.4 241 -2.5 0 0.0 0 0.0 14 51
264 A 313 SER S E E B*E - 0 279 -83.6 156.6 178.1 -121.8 35.8 126.5 279 -2.2 279 -2.9 0 0.0 266 -0.7 14 54
265 A 314 LEU L E E BDE - 236 278 -103.9 109.5 179.6 -171.7 31.9 155.8 236 -0.5 236 -3.2 0 0.0 0 0.0 15 58
266 A 315 LEU L E E B E - 0 277 -101.2 143.2 179.7 -166.2 4.4 144.7 277 -2.5 277 -2.6 264 -0.7 0 0.0 12 60
267 A 316 ARG R E E B E - 0 276 -134.0 118.9 179.3 -165.1 0.6 169.5 0 0.0 0 0.0 0 0.0 0 0.0 10 58
268 A 317 LEU L E E B E - 0 275 -107.1 131.6 179.8 -133.5 19.4 155.4 275 -3.0 275 -2.8 0 0.0 270 -1.0 9 49
269 A 318 ASP D E E B E + 0 274 -84.2 101.7 -179.7 173.7 27.8 134.6 0 0.0 65 -1.3 0 0.0 66 -1.2 15 35
270 A 319 VAL V e - 0 0 -98.0 24.7 178.8 -115.3 46.6 85.3 273 -1.7 272 -2.0 268 -1.0 0 0.0 13 29
271 A 320 GLY G S S S+ 0 0 80.6 -65.1 179.2 58.8 111.2 113.1 0 0.0 0 0.0 0 0.0 0 0.0 11 20
272 A 321 THR T S S S- 0 0 -72.6 -11.5 -179.9 -54.8 128.7 53.9 270 -2.0 0 0.0 0 0.0 0 0.0 8 18
273 A 322 GLY G S e S- 0 0 167.9 -156.0 179.6 -48.1 75.6 166.6 0 0.0 270 -1.7 0 0.0 0 0.0 7 24
274 A 323 TYR Y E E B E - 0 269 -115.8 141.2 -180.0 -153.7 33.3 157.5 0 0.0 276 -0.6 0 0.0 0 0.0 11 36
275 A 324 GLN Q E E B E - 0 268 -113.2 114.7 -179.7 -154.3 17.6 162.1 268 -2.8 268 -3.0 0 0.0 0 0.0 11 43
276 A 325 TYR Y E E B E - 0 267 -93.0 147.5 179.3 -171.5 11.1 132.8 274 -0.6 226 -3.0 0 0.0 0 0.0 14 54
277 A 326 TRP W E E BBE - 225 266 -136.6 151.5 173.5 -125.2 28.6 166.7 266 -2.6 266 -2.5 0 0.0 279 -0.8 11 62
278 A 327 TYR Y E E BBE - 224 265 -90.2 109.9 178.3 -147.3 33.7 149.4 224 -3.2 224 -2.1 0 0.0 280 -0.5 13 60
279 A 328 GLY G E E BBE - 223 264 -83.3 126.0 -178.8 -161.5 15.3 136.7 264 -2.9 264 -2.2 277 -0.8 0 0.0 14 64
280 A 329 LEU L h > > T - 0 0 -100.9 171.7 -179.1 -89.1 36.4 118.1 222 -2.0 284 -1.5 278 -0.5 283 -1.1 14 54
281 A 330 PRO P H H > 3 TS+ 0 0 -48.1 -42.8 -179.7 57.1 123.6 30.2 0 0.0 285 -2.0 0 0.0 0 0.0 10 50
282 A 331 ASN N H H > 3 TS+ 0 0 -61.8 -29.9 176.9 55.3 103.0 35.5 221 -0.6 286 -1.7 0 0.0 0 0.0 13 56
283 A 332 PHE F H H > < TS+ 0 0 -66.8 -46.4 179.2 48.9 107.5 20.1 280 -1.1 287 -1.7 222 -0.9 0 0.0 11 61
284 A 333 TYR Y H H X TS+ 0 0 -59.7 -36.7 179.0 58.4 106.0 26.7 280 -1.5 288 -0.7 0 0.0 0 0.0 10 50
285 A 334 THR T H H < > TS+ 0 0 -60.4 -38.5 178.7 53.0 102.7 25.3 281 -2.0 288 -1.1 0 0.0 0 0.0 12 52
286 A 335 ILE I H H X > TS+ 0 0 -63.6 -38.4 -179.5 57.3 103.2 23.6 282 -1.7 289 -2.1 0 0.0 290 -0.7 10 60
287 A 336 THR T H H < 3 TS+ 0 0 -66.8 -15.0 177.3 74.2 89.7 47.7 283 -1.7 0 0.0 0 0.0 0 0.0 13 44
288 A 337 ARG R T h < < TS+ 0 0 -69.3 -16.7 177.1 51.8 95.5 47.1 285 -1.1 0 0.0 284 -0.7 0 0.0 8 46
289 A 338 TYR Y T T 4 < TS- 0 0 -84.8 -34.2 178.5 -1.5 135.8 36.4 286 -2.1 0 0.0 0 0.0 0 0.0 6 58
290 A 339 ASN N S t < TS- 0 0 -158.8 116.7 -176.8 -123.7 78.3 149.0 286 -0.7 292 -2.4 0 0.0 0 0.0 8 42
291 A 340 HIS H S S S+ 0 0 -67.0 75.7 -178.5 106.6 71.8 111.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
292 A 341 SER S h > T - 0 0 -159.2 130.9 177.7 -148.9 61.0 163.7 290 -2.4 296 -2.3 0 0.0 0 0.0 8 37
293 A 342 THR T H H > TS+ 0 0 -61.5 -46.9 179.7 48.9 106.4 22.0 0 0.0 297 -2.4 0 0.0 0 0.0 10 53
294 A 343 HIS H H H > TS+ 0 0 -60.6 -45.2 179.1 51.1 110.4 23.1 0 0.0 298 -2.4 0 0.0 0 0.0 9 52
295 A 344 TYR Y H H > TS+ 0 0 -56.9 -52.2 -177.5 45.2 112.3 17.9 0 0.0 299 -2.7 0 0.0 0 0.0 10 52
296 A 345 ALA A H H X TS+ 0 0 -62.8 -38.5 179.2 49.1 113.7 27.4 292 -2.3 300 -2.4 0 0.0 0 0.0 12 57
297 A 346 MET M H H X TS+ 0 0 -68.9 -36.0 179.5 48.7 112.6 28.6 293 -2.4 301 -2.8 0 0.0 0 0.0 8 63
298 A 347 ALA A H H X TS+ 0 0 -69.9 -41.6 178.5 49.9 111.0 25.1 294 -2.4 302 -2.4 0 0.0 0 0.0 14 58
299 A 348 VAL V H H X TS+ 0 0 -60.0 -48.8 -179.0 43.8 115.4 17.7 295 -2.7 303 -2.0 0 0.0 0 0.0 13 60
300 A 349 TRP W H H X TS+ 0 0 -62.7 -52.7 -179.2 43.4 117.0 18.8 296 -2.4 304 -2.2 0 0.0 0 0.0 11 62
301 A 350 GLN Q H H X TS+ 0 0 -67.0 -32.8 177.5 54.5 111.1 34.3 297 -2.8 305 -2.6 0 0.0 0 0.0 10 53
302 A 351 LEU L H H X TS+ 0 0 -64.8 -44.2 179.2 48.6 109.8 19.3 298 -2.4 306 -2.3 0 0.0 0 0.0 14 53
303 A 352 GLY G H H X TS+ 0 0 -61.1 -40.8 178.7 48.6 112.2 25.3 299 -2.0 307 -2.3 0 0.0 0 0.0 14 57
304 A 353 GLN Q H H X TS+ 0 0 -65.6 -41.1 179.7 51.7 109.9 24.8 300 -2.2 308 -2.1 0 0.0 0 0.0 9 45
305 A 354 ALA A H H X TS+ 0 0 -62.7 -40.2 178.7 47.1 111.6 27.8 301 -2.6 309 -2.2 0 0.0 0 0.0 10 42
306 A 355 VAL V H H X TS+ 0 0 -67.8 -43.6 179.1 54.1 108.9 23.4 302 -2.3 310 -1.5 0 0.0 0 0.0 13 46
307 A 356 ALA A H H X TS+ 0 0 -57.2 -40.7 179.5 44.9 112.4 26.5 303 -2.3 311 -0.8 0 0.0 0 0.0 10 41
308 A 357 LEU L H H X > TS+ 0 0 -70.5 -42.3 -179.8 54.3 109.2 25.4 304 -2.1 312 -1.3 0 0.0 311 -0.8 8 30
309 A 358 ALA A H H < 3 TS+ 0 0 -64.6 -22.8 178.8 56.1 105.4 42.0 305 -2.2 0 0.0 0 0.0 0 0.0 10 29
310 A 359 ARG R H H < 3 TS+ 0 0 -76.2 -33.1 -178.8 56.4 101.7 41.0 306 -1.5 0 0.0 0 0.0 0 0.0 7 29
311 A 360 VAL V H H < < T 0 0 -67.2 -39.9 -178.6 999.9 999.9 31.5 307 -0.8 0 0.0 308 -0.8 0 0.0 5 19
312 A 361 GLN Q h < T 0 0 -55.8 999.9 999.9 999.9 999.9 111.1 308 -1.3 0 0.0 0 0.0 0 0.0 4 15
1qusA.pdb
1QUS HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT STTTT HHHHHHHHHHHHHH HHHHHHHHTT HHHHHHHH S HHHHHHTTT SHHHHHHHHHHHHHTHHHHHHHHHHH Kabs/Sand
chirality -+-+++++--+-++++-+++++++++++++-+--++++++++++----++++++++ +-+++++++++++-++++++++++++++++++++++++-+ chirality
bends SS SSSSS SSSSSSSSSSSSSS SSSSSSSSSS SSSSSSSS S SSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >3><3< >>3<< >33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXX<<<< >>>>XX<<<< >>>>XX<<<< >>>><>>>XXXXXXX<<>>XXXXX<<<< 4-turns
summary tTTt tTTTThHHHHHHHHHHHHHHh hHHHHHHHHhTt hHHHHHHHHh ShHHHHHHhTTthHHHHHHHHHHHHHhHHHHHHHHHHHh summary
sequence MVEPQHNVMQMGGDFANNPNAQQFIDKMVNKHGFDRQQLQEILSQAKRLDSVLRLMDNQGPNGAWLRYRKKFITPDNVQNGVVFWNQYEDALNRAWQVYG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHTTTT EEHHHHHHHHHHS GGGHHHHHHHHHHHHHHHHHTT GGG EE TT BTTTTB HHHHHHH SSSS TTSH Kabs/Sand
chirality --++++++++++----+++--+--+++++++++++-++++++++++++++++++++-+--+++-+--+-+---+----+++++++--++-+-+-+-++-+ chirality
bends SSSSSSSSSSSSSSSS S SSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SSS SS SSS SSSSSSS SSSS SSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33< >33< >>3<< >33< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AA AA A A bridge-1
sheets AA AA sheets
4-turns >>>>XXXXXX<>>>XXXX<<<<>44>X>>XXXXXXXXXXX<<<< >444< >>>>X<<<< >> 4-turns
summary hHHHHHHHHHHHHhTTTt EEHHHHHHHHHHhgGGhHHHHHHHHHHHHHHHHHhTtgGGGeEEtTTt BTTTTBhHHHHHHHh SSSS tTThH summary
sequence VPPEIIVGIIGVETRWGRVMGKTRILDALATLSFNYPRRAEYFSGELETFLLMARDEQDDPLNLKGSFAGAMGYGQFMPSSYKQYAVDFSGDGHINLWDP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHTT TT SEEEEES TTS EEEEEEEHHHHHHTT EESS TT EEEEEEEE SSSEEEEEE HHHHHHHTTSS HHHHHHHH Kabs/Sand
chirality +++++++++++++-+--++-------+--+++--+-++-+--++++++-++--+----++++------+-+---------++++++++--+-++++++++ chirality
bends SSSSSSSSSSSSSS SS S SS SS SSS SSSSSSSS SS S SSS SSSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTT TTTT TTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 EEEEEE EEEEEE bridge-2
bridge-1 BBBCC D****DD CC DD*D BBB bridge-1
sheets BBBBB BBBBBBB BB BBBBBBBB BBBBBB sheets
4-turns >>XXXXXXXX<<<< >>>><<<< >>>>X>>>XXXXX 4-turns
summary HHHHHHHHHHHHHhTttTTt eEEEEES tTTt EEEEEEEHHHHHHhTtEEeS tTTteEEEEEEEEeSSeEEEEEEhHHHHHHHhTtShHHHHHHHH summary
sequence VDAIGSVANYFKAHGWVKGDQVAVMANGQAPGLPNGFKTKYSISQLAAAGLTPQQPLGNHQQASLLRLDVGTGYQYWYGLPNFYTITRYNHSTHYAMAVW sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHH Kabs/Sand
chirality ++++++++++ chirality
bends SSSSSSSSSS bends
turns TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHh summary
sequence QLGQAVALARVQ sequence
310
Messages
chain break between 59(A 98 ) and 60(A 109 )