Secondary structure calculation program - copyright by David Keith Smith, 1989
1g55A.pdb
1G55 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 311
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 2 GLU E 0 0 999.9 152.9 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 15
2 A 3 PRO P - 0 0 -65.7 145.6 178.9 -98.1 999.9 108.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
3 A 4 LEU L E E Aa - 26 0 -62.4 142.0 179.0 -127.1 31.6 109.0 25 -2.6 27 -2.3 0 0.0 5 -0.7 10 39
4 A 5 ARG R E E Aa - 27 0 -96.5 112.5 -177.4 -156.2 29.0 150.0 0 0.0 70 -3.0 0 0.0 71 -1.4 13 39
5 A 6 VAL V E E Aab - 28 71 -99.7 125.7 177.0 -157.8 10.9 145.5 27 -3.1 29 -2.5 3 -0.7 30 -1.4 14 56
6 A 7 LEU L E E Aab - 30 72 -98.2 123.9 -179.9 -160.7 9.6 155.0 71 -2.6 73 -2.3 0 0.0 8 -0.7 14 63
7 A 8 GLU E E E Aab> T - 31 73 -110.3 101.4 -178.5 -169.2 10.7 152.2 30 -3.4 32 -2.8 0 0.0 10 -0.5 15 66
8 A 9 LEU L E E Aab3 T + 32 74 -93.3 145.9 -179.7 14.0 70.0 133.4 73 -2.0 75 -0.9 6 -0.7 0 0.0 13 69
9 A 10 TYR Y T e 3 TS+ 0 0 58.2 46.8 -175.4 178.7 82.9 21.4 32 -1.5 0 0.0 0 0.0 0 0.0 11 59
10 A 11 SER S t X T + 0 0 -54.8 -36.3 -179.7 167.5 6.8 44.0 32 -1.7 13 -2.3 7 -0.5 0 0.0 14 64
11 A 12 GLY G T T 3 TS- 0 0 56.7 -128.9 177.6 -15.0 77.2 108.1 0 0.0 0 0.0 0 0.0 0 0.0 13 64
12 A 13 VAL V T T 3 TS- 0 0 -86.2 4.0 177.3 -99.1 107.0 70.3 0 0.0 0 0.0 0 0.0 0 0.0 11 68
13 A 14 GLY G h > < T + 0 0 86.7 32.1 178.2 154.8 66.3 37.0 10 -2.3 17 -2.6 0 0.0 0 0.0 9 72
14 A 15 GLY G H H > TS+ 0 0 -56.5 -39.9 179.6 51.9 78.2 28.0 0 0.0 18 -2.3 0 0.0 0 0.0 13 74
15 A 16 MET M H H > TS+ 0 0 -63.8 -42.6 179.0 49.1 109.5 25.8 0 0.0 19 -2.3 0 0.0 0 0.0 13 73
16 A 17 HIS H H H > TS+ 0 0 -63.1 -45.5 177.8 49.5 110.9 20.5 0 0.0 20 -2.2 0 0.0 0 0.0 9 69
17 A 18 HIS H H H X TS+ 0 0 -59.7 -38.7 178.6 49.5 112.0 25.6 13 -2.6 21 -2.0 0 0.0 0 0.0 11 63
18 A 19 ALA A H H X TS+ 0 0 -66.3 -39.7 179.0 54.6 107.6 29.4 14 -2.3 22 -2.1 0 0.0 0 0.0 13 62
19 A 20 LEU L H H X >TS+ 0 0 -61.2 -43.0 178.6 48.0 108.7 25.9 15 -2.3 23 -0.6 0 0.0 24 -0.5 13 59
20 A 21 ARG R H H < >5TS+ 0 0 -65.4 -41.2 179.2 49.5 112.0 22.4 16 -2.2 23 -0.9 0 0.0 0 0.0 9 44
21 A 22 GLU E H H < 35TS+ 0 0 -66.7 -35.7 180.0 64.8 100.1 32.2 17 -2.0 0 0.0 0 0.0 0 0.0 9 37
22 A 23 SER S H H < 35TS- 0 0 -59.3 -24.4 179.2 -143.8 94.7 43.2 18 -2.1 0 0.0 0 0.0 0 0.0 10 37
23 A 24 A CYS C T h < <5T + 0 0 72.4 5.6 -179.1 145.9 47.1 58.0 20 -0.9 0 0.0 19 -0.6 0 0.0 7 30
24 A 25 ILE I t T - 0 0 -63.2 109.2 -178.7 -161.7 55.7 117.6 0 0.0 39 -2.4 0 0.0 0 0.0 8 35
36 A 37 THR T H H > TS+ 0 0 -64.3 -27.8 178.8 53.6 89.3 39.8 34 -0.6 40 -1.4 0 0.0 0 0.0 8 32
37 A 38 VAL V H H > TS+ 0 0 -72.9 -45.0 178.2 45.4 110.3 21.1 0 0.0 41 -1.3 0 0.0 0 0.0 7 40
38 A 39 ALA A H H > TS+ 0 0 -61.4 -42.3 -179.0 54.6 112.0 20.6 0 0.0 42 -2.6 0 0.0 0 0.0 11 54
39 A 40 ASN N H H X TS+ 0 0 -62.3 -36.2 178.5 54.7 102.2 36.5 35 -2.4 43 -2.9 0 0.0 0 0.0 14 47
40 A 41 GLU E H H X TS+ 0 0 -66.0 -35.8 179.7 44.9 112.7 30.6 36 -1.4 44 -1.7 0 0.0 0 0.0 9 40
41 A 42 VAL V H H X TS+ 0 0 -72.7 -44.2 178.8 49.2 113.7 25.2 37 -1.3 45 -1.7 0 0.0 0 0.0 12 54
42 A 43 TYR Y H H X TS+ 0 0 -58.2 -55.1 -179.7 44.5 114.3 13.6 38 -2.6 46 -2.9 0 0.0 0 0.0 13 54
43 A 44 LYS K H H < TS+ 0 0 -57.5 -41.9 179.0 58.6 108.7 29.2 39 -2.9 0 0.0 0 0.0 0 0.0 11 41
44 A 45 TYR Y H H < TS+ 0 0 -55.8 -42.8 -178.5 30.5 118.0 25.9 40 -1.7 0 0.0 0 0.0 0 0.0 9 34
45 A 46 ASN N H H < TS+ 0 0 -88.6 -28.4 -179.2 35.4 131.6 40.1 41 -1.7 0 0.0 0 0.0 0 0.0 9 40
46 A 47 PHE F h < > T + 0 0 -125.7 69.2 -179.2 161.0 66.0 128.4 42 -2.9 49 -1.4 0 0.0 0 0.0 7 40
47 A 48 PRO P T T 3 TS+ 0 0 -65.7 -18.5 -177.9 50.9 74.6 45.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
48 A 49 HIS H T T 3 TS+ 0 0 -106.4 16.8 179.9 98.0 88.3 79.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
49 A 50 THR T S t < TS- 0 0 -108.6 131.4 178.2 -113.8 80.4 152.6 46 -1.4 0 0.0 0 0.0 0 0.0 10 38
50 A 51 GLN Q e - 0 0 -65.6 120.6 -178.6 -166.9 35.2 119.2 0 0.0 31 -2.5 0 0.0 0 0.0 8 40
51 A 52 LEU L E E Ac - 31 0 -114.7 125.5 -179.7 -158.9 8.2 162.3 0 0.0 53 -0.7 0 0.0 0 0.0 10 44
52 A 53 LEU L E E Ac - 32 0 -109.4 106.4 178.8 -161.0 3.7 155.3 31 -3.0 54 -1.9 0 0.0 33 -1.7 9 43
53 A 54 ALA A + 0 0 -83.1 73.7 -177.0 114.3 53.6 123.0 51 -0.7 0 0.0 0 0.0 0 0.0 10 34
54 A 55 LYS K S S S- 0 0 -141.9 159.9 176.7 -93.1 75.8 157.8 52 -1.9 0 0.0 0 0.0 0 0.0 9 34
55 A 56 THR T g > T - 0 0 -73.4 137.1 -179.5 -138.2 30.7 127.5 0 0.0 58 -0.6 0 0.0 0 0.0 10 34
56 A 57 ILE I G G > TS+ 0 0 -66.8 -27.6 179.8 60.0 103.0 36.7 0 0.0 59 -1.0 0 0.0 0 0.0 12 42
57 A 58 GLU E G G 3 TS+ 0 0 -69.9 -31.7 -179.9 55.6 100.8 38.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
58 A 59 GLY G G G < TS+ 0 0 -82.0 -3.3 179.2 107.3 79.5 64.3 55 -0.6 0 0.0 0 0.0 0 0.0 6 26
59 A 60 ILE I g < T - 0 0 -79.2 125.1 -179.3 -141.0 64.5 132.8 56 -1.0 0 0.0 0 0.0 0 0.0 9 38
60 A 61 THR T h > T - 0 0 -80.9 165.2 179.6 -108.8 22.3 111.4 0 0.0 64 -1.9 0 0.0 0 0.0 6 30
61 A 62 LEU L H H > TS+ 0 0 -61.5 -34.4 -178.6 58.4 119.2 32.2 0 0.0 65 -2.7 0 0.0 0 0.0 9 30
62 A 63 GLU E H H > TS+ 0 0 -63.0 -43.3 179.0 49.0 105.1 25.8 0 0.0 66 -2.4 0 0.0 0 0.0 6 24
63 A 64 GLU E H H > TS+ 0 0 -62.3 -44.5 178.9 47.1 113.1 23.3 0 0.0 67 -1.0 0 0.0 0 0.0 8 33
64 A 65 PHE F H H X TS+ 0 0 -64.6 -38.0 179.4 51.1 112.1 28.1 60 -1.9 68 -1.0 0 0.0 0 0.0 11 46
65 A 66 ASP D H H < > TS+ 0 0 -66.5 -39.2 179.8 55.0 105.4 27.1 61 -2.7 68 -0.6 0 0.0 0 0.0 11 29
66 A 67 ARG R H H < 3 TS+ 0 0 -66.1 -23.3 178.5 56.3 103.7 42.4 62 -2.4 0 0.0 0 0.0 0 0.0 6 27
67 A 68 LEU L H H < 3 TS- 0 0 -78.0 -27.9 177.4 -163.3 87.5 39.6 63 -1.0 0 0.0 0 0.0 0 0.0 10 43
68 A 69 SER S h < < T - 0 0 42.4 62.2 -177.8 -170.5 17.0 25.0 64 -1.0 0 0.0 65 -0.6 0 0.0 8 39
69 A 70 PHE F - 0 0 -89.9 143.8 179.0 -168.2 30.0 125.8 0 0.0 0 0.0 0 0.0 0 0.0 15 46
70 A 71 ASP D S e S+ 0 0 -102.2 -8.4 -179.1 34.1 77.1 64.8 4 -3.0 96 -2.0 0 0.0 95 -1.1 13 46
71 A 72 MET M E E Abd - 5 96 -149.9 138.4 176.1 -154.7 62.2 171.6 4 -1.4 6 -2.6 0 0.0 0 0.0 13 66
72 A 73 ILE I E E Abd - 6 97 -115.8 130.7 176.7 -175.3 9.8 169.4 96 -2.3 98 -2.4 0 0.0 0 0.0 14 66
73 A 74 LEU L E E Abd + 7 98 -121.8 123.2 -177.1 164.0 21.8 176.1 6 -2.3 8 -2.0 0 0.0 0 0.0 12 70
74 A 75 MET M E E Abd - 8 99 -149.7 149.0 177.0 -170.9 38.8 174.7 98 -2.3 100 -2.3 0 0.0 0 0.0 12 62
75 A 76 SER S e - 0 0 -131.8 71.2 180.0 -165.2 25.1 129.0 8 -0.9 0 0.0 0 0.0 0 0.0 10 60
76 A 77 PRO P 0 0 -59.6 137.8 -179.2 999.9 999.9 111.4 0 0.0 0 0.0 0 0.0 0 0.0 9 51
77!A 78 PRO P 0 0 -47.6 999.9 999.9 999.9 999.9 96.4 0 0.0 0 0.0 0 0.0 0 0.0 4 45
78!A 97 ASN N h > T 0 0 999.9 -76.5 176.8 999.9 999.9 999.9 0 0.0 82 -2.7 0 0.0 0 0.0 5 25
79 A 98 SER S H H > T + 0 0 -56.5 -43.5 180.0 45.6 999.9 18.3 0 0.0 83 -1.9 0 0.0 0 0.0 8 34
80 A 99 PHE F H H > TS+ 0 0 -66.0 -43.9 179.2 50.2 111.2 23.8 0 0.0 84 -2.2 0 0.0 0 0.0 9 48
81 A 100 LEU L H H > TS+ 0 0 -63.3 -32.3 178.3 55.0 108.6 27.6 0 0.0 85 -1.9 0 0.0 0 0.0 7 36
82 A 101 HIS H H H X TS+ 0 0 -64.6 -45.1 178.6 50.7 105.5 23.8 78 -2.7 86 -2.6 0 0.0 0 0.0 10 35
83 A 102 A ILE I H H X TS+ 0 0 -57.1 -46.1 179.3 48.9 111.8 22.4 79 -1.9 87 -2.2 0 0.0 0 0.0 10 53
84 A 103 LEU L H H < TS+ 0 0 -63.9 -31.8 179.6 48.4 112.0 35.0 80 -2.2 0 0.0 0 0.0 0 0.0 10 45
85 A 104 ASP D H H < TS+ 0 0 -76.3 -33.8 -179.3 50.5 111.6 31.3 81 -1.9 0 0.0 0 0.0 0 0.0 8 33
86 A 105 ILE I H H X > TS+ 0 0 -70.7 -42.1 -177.5 76.3 92.5 28.3 82 -2.6 89 -2.5 0 0.0 90 -0.9 9 40
87 A 106 LEU L G h < > TS+ 0 0 -40.9 -54.7 -179.7 45.5 94.9 32.8 83 -2.2 90 -1.1 0 0.0 0 0.0 8 52
88 A 107 PRO P G G 4 3 TS+ 0 0 -73.4 -0.4 -179.2 51.9 114.2 60.3 0 0.0 0 0.0 0 0.0 0 0.0 7 34
89 A 108 ARG R G G 4 < TS+ 0 0 -109.9 -10.5 178.5 114.8 80.4 60.2 86 -2.5 0 0.0 0 0.0 0 0.0 7 28
90 A 109 LEU L g < < T - 0 0 -63.3 139.0 178.4 -135.0 67.9 112.3 87 -1.1 0 0.0 86 -0.9 0 0.0 10 34
91 A 110 GLN Q S S S+ 0 0 -61.3 -36.7 178.2 28.8 100.0 30.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
92 A 111 LYS K S S S- 0 0 -130.0 115.0 179.0 -139.8 84.0 166.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
93 A 112 LEU L - 0 0 -69.3 142.4 178.9 -110.2 30.4 117.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
94 A 113 PRO P - 0 0 -72.3 142.7 179.4 -144.4 17.4 123.6 0 0.0 0 0.0 0 0.0 0 0.0 10 55
95 A 114 LYS K S e S+ 0 0 -76.7 -25.1 -177.9 43.3 81.2 37.0 70 -1.1 149 -2.9 0 0.0 0 0.0 9 48
96 A 115 TYR Y E E AdE + 71 148 -128.7 144.9 176.6 179.0 57.0 162.3 70 -2.0 72 -2.3 0 0.0 0 0.0 12 61
97 A 116 ILE I E E AdE + 72 147 -140.7 132.7 177.3 179.7 0.6 178.3 147 -2.2 147 -2.4 0 0.0 0 0.0 12 68
98 A 117 LEU L E E AdE - 73 146 -135.2 122.8 180.0 -177.5 8.9 171.0 72 -2.4 74 -2.3 0 0.0 0 0.0 13 72
99 A 118 LEU L E E AdE - 74 145 -124.3 140.8 178.8 -162.4 9.2 168.9 145 -2.6 145 -2.3 0 0.0 0 0.0 12 73
100 A 119 GLU E E E A E + 0 144 -121.0 138.9 177.6 146.1 23.4 159.0 74 -2.3 0 0.0 0 0.0 0 0.0 11 66
101 A 120 ASN N E E A E - 0 143 -152.9 -171.1 -178.5 -73.4 43.5 148.2 143 -2.1 143 -2.8 0 0.0 0 0.0 11 52
102 A 121 VAL V E E A E> T - 0 142 -97.6 161.3 178.4 -82.0 54.8 123.2 0 0.0 105 -2.0 0 0.0 0 0.0 8 42
103 A 122 LYS K T e 3 TS+ 0 0 -55.3 133.9 -179.2 37.5 118.0 111.1 141 -0.5 0 0.0 0 0.0 0 0.0 9 33
104 A 123 GLY G T g > TS+ 0 0 108.9 -29.8 179.7 98.1 85.9 93.7 0 0.0 107 -1.8 0 0.0 0 0.0 7 29
105 A 124 PHE F G G X TS+ 0 0 -57.8 -34.7 -177.9 72.3 70.1 28.3 102 -2.0 108 -2.0 0 0.0 0 0.0 10 33
106 A 125 GLU E G G 3 TS+ 0 0 -59.0 -12.3 -179.1 39.8 103.1 52.9 0 0.0 0 0.0 0 0.0 0 0.0 9 37
107 A 126 VAL V G G < TS+ 0 0 -116.5 -0.7 -178.0 111.7 96.2 65.1 104 -1.8 0 0.0 0 0.0 0 0.0 7 26
108 A 127 SER S S h > < TS- 0 0 -76.6 163.5 179.8 -121.5 74.5 101.0 105 -2.0 112 -1.5 0 0.0 0 0.0 8 25
109 A 128 SER S H H > TS+ 0 0 -69.9 -38.9 179.5 57.7 113.5 26.6 0 0.0 113 -1.9 0 0.0 0 0.0 6 20
110 A 129 THR T H H > TS+ 0 0 -56.7 -41.4 178.0 50.7 105.8 28.2 0 0.0 114 -2.2 0 0.0 0 0.0 7 33
111 A 130 ARG R H H > TS+ 0 0 -63.1 -41.1 179.5 55.4 106.0 29.4 0 0.0 115 -2.6 0 0.0 0 0.0 10 44
112 A 131 ASP D H H X TS+ 0 0 -61.7 -38.4 177.8 47.4 109.2 28.4 108 -1.5 116 -2.0 0 0.0 0 0.0 9 29
113 A 132 LEU L H H X TS+ 0 0 -66.7 -48.0 179.5 51.7 110.5 21.5 109 -1.9 117 -2.9 0 0.0 0 0.0 8 30
114 A 133 LEU L H H X TS+ 0 0 -54.1 -51.6 -179.8 45.6 112.3 20.4 110 -2.2 118 -2.8 0 0.0 0 0.0 9 48
115 A 134 ILE I H H X TS+ 0 0 -62.7 -43.1 178.0 50.6 112.4 27.3 111 -2.6 119 -2.6 0 0.0 0 0.0 8 45
116 A 135 GLN Q H H X TS+ 0 0 -59.7 -48.3 179.9 47.9 112.4 16.2 112 -2.0 120 -2.8 0 0.0 0 0.0 8 31
117 A 136 THR T H H < TS+ 0 0 -56.6 -54.2 -177.7 42.8 115.7 17.1 113 -2.9 0 0.0 0 0.0 0 0.0 8 36
118 A 137 ILE I H H < TS+ 0 0 -67.1 -33.4 176.3 51.5 113.0 33.0 114 -2.8 122 -2.6 0 0.0 0 0.0 9 44
119 A 138 GLU E H H < T 0 0 -65.7 -45.9 179.1 999.9 999.9 17.2 115 -2.6 0 0.0 0 0.0 0 0.0 8 36
120!A 139 ASN N h < T 0 0 -59.2 999.9 999.9 999.9 999.9 41.8 116 -2.8 0 0.0 0 0.0 0 0.0 6 27
121!A 141 GLY G e 0 0 999.9 18.8 178.7 999.9 999.9 999.9 0 0.0 150 -1.0 0 0.0 0 0.0 8 31
122 A 142 PHE F E E AF - 149 0 -87.8 138.5 173.7 -147.9 999.9 131.4 118 -2.6 0 0.0 0 0.0 0 0.0 11 42
123 A 143 GLN Q E E AF + 148 0 -95.5 135.7 -178.2 174.1 33.3 149.0 148 -2.8 148 -2.9 0 0.0 0 0.0 13 43
124 A 144 TYR Y E E AF - 147 0 -142.0 172.1 178.2 -161.6 27.9 154.5 0 0.0 0 0.0 0 0.0 0 0.0 11 55
125 A 145 GLN Q E E AF - 146 0 -155.1 133.4 177.9 -143.4 16.1 162.6 146 -1.8 146 -2.2 0 0.0 0 0.0 14 55
126 A 146 GLU E E E AFg - 145 162 -101.6 150.6 -178.0 -174.8 19.6 144.8 161 -0.6 163 -2.6 0 0.0 0 0.0 12 57
127 A 147 PHE F E E AFg - 144 163 -141.4 156.4 172.8 -154.9 26.4 158.5 144 -3.1 144 -2.5 0 0.0 0 0.0 11 52
128 A 148 LEU L E E AF + 143 0 -130.9 103.1 -176.3 168.8 38.7 161.2 163 -2.2 0 0.0 0 0.0 0 0.0 13 44
129 A 149 LEU L E E AF - 142 0 -125.7 149.8 177.9 -162.4 24.6 160.1 142 -2.1 142 -2.2 0 0.0 0 0.0 15 52
130 A 150 SER S g > T - 0 0 -125.5 149.6 -179.8 -116.3 33.8 158.7 0 0.0 133 -2.1 0 0.0 0 0.0 12 50
131 A 151 PRO P G G >>TS+ 0 0 -57.9 -20.0 179.4 77.5 107.2 42.7 0 0.0 134 -2.3 0 0.0 136 -1.7 15 53
132 A 152 THR T G G >5TS+ 0 0 -61.8 -23.3 178.7 67.0 82.0 37.4 0 0.0 135 -1.6 0 0.0 0 0.0 12 39
133 A 153 SER S G G <5TS+ 0 0 -69.9 -16.7 177.8 47.1 103.0 48.1 130 -2.1 0 0.0 0 0.0 0 0.0 10 41
134 A 154 LEU L G G <5TS- 0 0 -108.7 18.5 179.2 -97.5 126.8 84.1 131 -2.3 0 0.0 0 0.0 0 0.0 10 39
135 A 155 GLY G T g <5TS+ 0 0 76.0 18.1 177.8 140.2 78.4 43.5 132 -1.6 172 -2.8 0 0.0 0 0.0 10 36
136 A 156 ILE I t T - 0 0 -67.8 144.1 -179.1 -117.1 42.8 122.5 0 0.0 157 -1.8 0 0.0 0 0.0 8 40
155 A 175 PRO P T T 3 TS+ 0 0 -52.8 -38.0 -177.9 45.9 112.6 34.7 0 0.0 0 0.0 0 0.0 0 0.0 4 28
156 A 176 PHE F T T 3 TS+ 0 0 -91.3 7.5 -178.5 144.6 83.8 77.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
157 A 177 GLN Q t < T - 0 0 -56.2 140.2 178.5 -170.3 31.6 104.4 154 -1.8 0 0.0 0 0.0 0 0.0 8 32
158 A 178 ALA A t > T - 0 0 -132.5 90.5 -179.1 -136.6 24.7 150.6 0 0.0 161 -1.6 0 0.0 0 0.0 8 25
159 A 179 PRO P T T 3 TS+ 0 0 -52.8 134.1 178.8 7.1 83.3 99.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
160 A 180 GLY G T T 3 TS+ 0 0 65.9 20.1 179.8 106.5 112.3 46.0 0 0.0 0 0.0 0 0.0 0 0.0 4 24
161 A 181 GLN Q e < T - 0 0 -136.1 150.3 177.8 -138.8 64.3 166.9 158 -1.6 126 -0.6 0 0.0 163 -0.5 7 31
162 A 182 VAL V E E Ag - 126 0 -102.9 121.0 179.9 -132.5 30.7 153.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
163 A 183 LEU L E E Ag - 127 0 -80.7 131.6 -178.2 -164.6 14.5 132.6 126 -2.6 128 -2.2 161 -0.5 0 0.0 11 38
164 A 184 MET M S S S+ 0 0 -93.4 -3.0 179.2 40.5 71.6 67.0 0 0.0 0 0.0 0 0.0 0 0.0 7 37
165 A 185 GLU E S S S- 0 0 -139.1 166.6 177.8 -89.8 93.7 156.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
166 A 186 PHE F - 0 0 -77.4 137.7 179.4 -104.2 52.4 127.2 0 0.0 0 0.0 0 0.0 0 0.0 8 41
167 A 187 PRO P 0 0 -66.3 130.0 -176.1 999.9 999.9 120.4 0 0.0 0 0.0 0 0.0 0 0.0 4 38
168!A 188 LYS K 0 0 -6.7 999.9 999.9 999.9 999.9 66.5 0 0.0 0 0.0 0 0.0 0 0.0 2 22
169!A 248 LEU L 0 0 999.9 -41.1 -178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
170 A 249 SER S - 0 0 49.0 85.1 -176.5 -130.7 999.9 12.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17
171 A 250 VAL V - 0 0 -73.2 128.8 179.1 -129.7 12.2 116.0 0 0.0 0 0.0 0 0.0 0 0.0 10 25
172 A 251 LYS K - 0 0 -69.8 158.5 178.8 -106.2 27.7 109.1 135 -2.8 0 0.0 0 0.0 0 0.0 9 30
173 A 252 MET M g > T - 0 0 -84.4 155.9 179.1 -116.6 24.0 122.9 0 0.0 176 -1.3 0 0.0 0 0.0 11 35
174 A 253 LEU L G G > > TS+ 0 0 -61.4 -26.9 -178.5 77.2 106.9 39.3 0 0.0 177 -2.2 0 0.0 178 -0.5 12 47
175 A 254 LYS K G G 4 > TS+ 0 0 -53.9 -35.7 -179.3 63.0 84.8 32.3 206 -2.2 178 -1.3 0 0.0 0 0.0 7 38
176 A 255 ASP D G G 4 < TS+ 0 0 -67.0 -11.2 -178.8 45.6 105.2 52.4 173 -1.3 0 0.0 0 0.0 0 0.0 6 37
177 A 256 PHE F G G 4 < TS+ 0 0 -110.9 -3.2 -179.5 104.5 89.8 63.9 174 -2.2 0 0.0 0 0.0 0 0.0 9 45
178 A 257 LEU L g < < T - 0 0 -82.4 148.6 -179.0 -123.1 69.3 119.9 175 -1.3 0 0.0 174 -0.5 0 0.0 10 45
179 A 258 GLU E t > T - 0 0 -96.4 130.5 179.9 -148.4 5.2 144.3 0 0.0 182 -1.5 0 0.0 0 0.0 7 35
180 A 259 ASP D T T 3 TS+ 0 0 -59.0 -42.9 -178.0 53.8 98.8 32.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
181 A 260 ASP D T T 3 TS+ 0 0 -79.1 7.4 179.8 136.0 76.3 71.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
182 A 261 THR T t < T - 0 0 -60.5 127.6 177.8 -132.2 58.0 111.2 179 -1.5 184 -1.4 0 0.0 0 0.0 7 30
183 A 262 ASP D h > > T - 0 0 -81.9 90.6 -179.0 -168.1 23.3 135.7 0 0.0 187 -1.1 0 0.0 186 -0.6 6 24
184 A 263 VAL V H H > > TS+ 0 0 -47.2 -52.9 -179.1 56.1 80.6 26.0 182 -1.4 187 -1.0 0 0.0 188 -0.9 7 32
185 A 264 ASN N H H 4 > TS+ 0 0 -50.4 -42.6 -179.8 55.9 103.5 29.4 0 0.0 188 -0.8 0 0.0 0 0.0 5 27
186 A 265 GLN Q H H 4 < TS+ 0 0 -60.3 -36.2 -178.3 40.0 113.5 33.6 183 -0.6 0 0.0 0 0.0 0 0.0 5 29
187 A 266 TYR Y H H < < TS+ 0 0 -97.9 -0.2 178.7 124.7 81.0 64.5 183 -1.1 262 -2.2 184 -1.0 0 0.0 10 44
188 A 267 LEU L B h < A < TS- 261 0 -60.0 135.5 177.6 -107.9 71.7 109.5 184 -0.9 0 0.0 185 -0.8 0 0.0 10 42
189 A 268 LEU L - 0 0 -64.0 135.6 179.9 -111.9 41.8 118.8 260 -2.4 0 0.0 0 0.0 0 0.0 10 48
190 A 269 PRO P h > T - 0 0 -70.4 155.3 -179.2 -107.2 24.0 110.6 0 0.0 194 -1.9 0 0.0 0 0.0 6 37
191 A 270 PRO P H H > TS+ 0 0 -46.8 -54.5 -179.1 48.0 114.7 34.0 0 0.0 195 -2.2 0 0.0 0 0.0 9 34
192 A 271 LYS K H H > TS+ 0 0 -62.3 -36.6 178.6 50.6 112.1 29.6 0 0.0 196 -2.4 0 0.0 0 0.0 7 30
193 A 272 SER S H H > TS+ 0 0 -67.6 -38.4 178.6 52.2 109.0 28.5 0 0.0 197 -2.2 0 0.0 0 0.0 10 39
194 A 273 LEU L H H X TS+ 0 0 -61.9 -48.9 -179.7 43.4 113.5 21.2 190 -1.9 198 -1.0 0 0.0 0 0.0 12 45
195 A 274 LEU L H H < TS+ 0 0 -63.8 -51.7 -179.6 44.4 116.7 19.5 191 -2.2 0 0.0 0 0.0 0 0.0 11 37
196 A 275 ARG R H H < TS+ 0 0 -59.9 -48.3 -177.1 28.5 127.7 17.9 192 -2.4 0 0.0 0 0.0 0 0.0 6 30
197 A 276 TYR Y H H < > TS+ 0 0 -97.8 6.3 -179.8 121.6 84.0 68.4 193 -2.2 200 -2.5 0 0.0 0 0.0 10 36
198 A 277 ALA A G h < > TS+ 0 0 -34.2 -55.1 -178.2 38.1 80.4 38.5 194 -1.0 201 -0.8 0 0.0 0 0.0 9 49
199 A 278 LEU L G G 3 TS+ 0 0 -82.0 -5.4 -177.6 58.0 113.6 58.9 0 0.0 0 0.0 0 0.0 0 0.0 4 36
200 A 279 LEU L G G < TS+ 0 0 -109.1 11.3 -179.4 111.3 80.2 77.5 197 -2.5 0 0.0 0 0.0 0 0.0 6 28
201 A 280 LEU L g < T - 0 0 -87.3 151.8 174.9 -141.3 60.3 122.1 198 -0.8 203 -0.7 0 0.0 0 0.0 10 46
202 A 281 ASP D e - 0 0 -110.4 101.4 -178.1 -164.8 28.4 159.5 0 0.0 227 -2.6 0 0.0 0 0.0 9 48
203 A 282 ILE I E E Bh + 227 0 -93.8 129.9 179.4 179.4 10.1 141.5 201 -0.7 0 0.0 0 0.0 0 0.0 9 52
204 A 283 VAL V E E Bh - 228 0 -127.7 152.9 178.6 -143.5 17.1 155.8 227 -2.3 229 -2.8 0 0.0 0 0.0 10 46
205 A 284 GLN Q - 0 0 -108.6 160.4 -179.6 -101.9 35.9 141.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
206 A 285 PRO P 0 0 -54.0 -29.3 -179.5 999.9 999.9 39.2 0 0.0 175 -2.2 0 0.0 0 0.0 9 45
207!A 286 THR T 0 0 -81.7 999.9 999.9 999.9 999.9 59.8 0 0.0 0 0.0 0 0.0 0 0.0 6 29
208!A 288 ARG R 0 0 999.9 38.3 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
209 A 289 ARG R + 0 0 -160.4 157.4 176.8 173.5 999.9 165.9 0 0.0 0 0.0 0 0.0 0 0.0 11 42
210 A 290 SER S - 0 0 -165.6 148.7 -178.6 -101.3 36.0 158.2 0 0.0 139 -2.2 0 0.0 0 0.0 11 52
211 A 291 A VAL V - 0 0 -75.3 161.7 179.4 -79.9 52.3 110.2 0 0.0 226 -0.5 0 0.0 0 0.0 11 45
212 A 292 CYS C - 0 0 -60.5 133.5 179.3 -130.1 44.9 112.6 0 0.0 0 0.0 0 0.0 0 0.0 10 54
213 A 293 PHE F - 0 0 -89.7 129.0 179.3 -163.9 24.7 142.6 0 0.0 0 0.0 0 0.0 0 0.0 11 58
214 A 294 THR T t > T - 0 0 -103.6 175.3 179.6 -98.0 37.3 123.8 224 -1.9 217 -1.7 0 0.0 0 0.0 10 48
215 A 295 LYS K T T 3 TS+ 0 0 -67.3 -18.6 179.0 60.8 121.0 40.7 0 0.0 0 0.0 0 0.0 0 0.0 11 41
216 A 296 GLY G T T > > TS+ 0 0 -85.0 -6.4 -179.7 128.1 74.2 57.1 0 0.0 220 -2.5 0 0.0 219 -2.1 10 33
217 A 297 TYR Y T T 4 < TS+ 0 0 -51.6 137.3 -179.4 25.0 71.9 100.9 214 -1.7 0 0.0 0 0.0 0 0.0 13 49
218 A 298 GLY G T T 4 3 TS+ 0 0 89.7 -10.5 179.6 48.7 127.2 71.5 0 0.0 0 0.0 0 0.0 0 0.0 8 49
219 A 299 SER S T T 4 < TS+ 0 0 -122.2 -53.7 177.3 40.2 111.6 53.3 216 -2.1 0 0.0 0 0.0 0 0.0 6 41
220 A 300 TYR Y t < T - 0 0 -102.7 134.1 -176.6 -161.1 69.6 155.9 216 -2.5 0 0.0 0 0.0 0 0.0 7 39
221 A 301 ILE I t > T + 0 0 -80.9 -59.7 -175.8 76.5 59.3 13.6 0 0.0 224 -1.2 0 0.0 0 0.0 11 41
222 A 302 GLU E T T 3 TS- 0 0 -68.1 127.8 178.2 -6.7 109.8 112.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
223 A 303 GLY G T T 3 TS+ 0 0 71.3 13.9 -177.5 101.9 102.7 59.4 0 0.0 0 0.0 0 0.0 0 0.0 4 30
224 A 304 THR T S t < TS- 0 0 -107.4 -1.5 -179.2 -53.0 90.5 61.7 221 -1.2 214 -1.9 0 0.0 0 0.0 13 42
225 A 305 GLY G - 0 0 144.4 159.4 179.7 -65.7 64.8 134.4 0 0.0 0 0.0 0 0.0 0 0.0 13 51
226 A 306 SER S - 0 0 -72.2 158.0 177.6 -139.0 39.3 108.8 211 -0.5 0 0.0 0 0.0 0 0.0 14 60
227 A 307 VAL V E E Bh - 203 0 -118.5 147.0 -175.7 -121.4 20.2 155.8 202 -2.6 204 -2.3 0 0.0 0 0.0 12 64
228 A 308 LEU L E E BhI - 204 261 -99.1 125.6 176.4 -142.5 6.7 143.2 261 -3.1 261 -2.4 0 0.0 0 0.0 12 62
229 A 309 GLN Q E E B I + 0 260 -80.0 114.1 179.1 171.1 24.2 133.7 204 -2.8 0 0.0 0 0.0 0 0.0 13 49
230 A 310 THR T e + 0 0 -99.8 -13.0 179.3 99.9 45.9 53.3 259 -1.5 0 0.0 258 -0.7 0 0.0 10 40
231 A 311 ALA A - 0 0 -76.8 129.7 179.0 -152.0 61.7 125.6 258 -1.8 0 0.0 0 0.0 0 0.0 9 34
232 A 312 GLU E S S S+ 0 0 -99.0 159.9 178.8 30.8 70.2 130.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
233 A 313 ASP D S S S+ 0 0 63.0 36.4 176.5 96.2 98.4 32.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
234 A 314 A VAL V - 0 0 -149.4 143.2 179.7 -140.6 63.1 164.9 0 0.0 0 0.0 0 0.0 0 0.0 9 26
235 A 315 GLN Q h > T - 0 0 -113.6 138.1 179.6 -139.0 12.6 158.4 0 0.0 239 -1.8 0 0.0 0 0.0 7 28
236 A 316 VAL V H H > TS+ 0 0 -54.5 -47.0 -178.8 57.5 105.0 22.4 0 0.0 240 -2.8 0 0.0 0 0.0 7 37
237 A 317 GLU E H H > TS+ 0 0 -54.0 -40.7 -179.9 47.1 106.8 31.2 0 0.0 241 -1.9 0 0.0 0 0.0 6 29
238 A 318 ASN N H H > TS+ 0 0 -72.8 -34.6 179.0 49.2 112.3 32.3 0 0.0 242 -1.3 0 0.0 0 0.0 8 26
239 A 319 ILE I H H < TS+ 0 0 -69.9 -41.4 180.0 46.8 113.6 26.0 235 -1.8 0 0.0 0 0.0 0 0.0 12 34
240 A 320 TYR Y H H < > TS+ 0 0 -71.1 -30.9 176.8 56.5 107.1 32.9 236 -2.8 243 -1.0 0 0.0 0 0.0 9 36
241 A 321 LYS K H H < > TS+ 0 0 -64.5 -38.7 -179.1 57.6 103.0 28.4 237 -1.9 244 -0.6 0 0.0 0 0.0 7 23
242 A 322 SER S T h < 3 TS+ 0 0 -67.8 -12.3 -175.8 77.1 89.8 54.5 238 -1.3 0 0.0 0 0.0 0 0.0 10 27
243 A 323 LEU L T T X T + 0 0 -72.0 -38.7 -179.2 88.3 67.5 31.2 240 -1.0 246 -1.9 0 0.0 0 0.0 9 29
244 A 324 THR T T T < TS+ 0 0 -65.6 119.9 -179.3 16.7 100.3 118.4 241 -0.6 0 0.0 0 0.0 0 0.0 6 21
245 A 325 ASN N T T 3 TS+ 0 0 99.3 -2.2 178.5 115.3 99.2 64.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
246 A 326 LEU L t < T - 0 0 -100.2 154.0 178.4 -109.2 69.3 134.9 243 -1.9 0 0.0 0 0.0 0 0.0 9 19
247 A 327 SER S h > > T - 0 0 -75.4 155.6 179.7 -104.9 36.9 119.3 0 0.0 251 -2.5 0 0.0 250 -1.0 6 21
248 A 328 GLN Q H H > 3 TS+ 0 0 -50.0 -40.1 178.9 50.8 124.5 31.9 0 0.0 252 -2.1 0 0.0 0 0.0 7 25
249 A 329 GLU E H H > 3 TS+ 0 0 -67.0 -33.0 179.4 49.0 111.9 31.1 0 0.0 253 -1.7 0 0.0 0 0.0 7 23
250 A 330 GLU E H H > < TS+ 0 0 -72.5 -37.6 178.0 52.3 108.4 31.0 247 -1.0 254 -1.8 0 0.0 0 0.0 8 25
251 A 331 GLN Q H H X TS+ 0 0 -64.4 -40.7 178.2 51.5 108.7 25.8 247 -2.5 255 -2.9 0 0.0 0 0.0 12 33
252 A 332 ILE I H H X TS+ 0 0 -61.4 -45.1 179.0 53.0 107.0 22.4 248 -2.1 256 -2.5 0 0.0 0 0.0 12 34
253 A 333 THR T H H X TS+ 0 0 -57.0 -42.9 179.0 44.6 112.8 27.6 249 -1.7 257 -0.8 0 0.0 0 0.0 8 35
254 A 334 LYS K H H < > TS+ 0 0 -67.8 -44.8 -179.5 51.5 112.5 23.8 250 -1.8 257 -0.7 0 0.0 0 0.0 11 40
255 A 335 LEU L H H < > TS+ 0 0 -63.7 -35.2 179.1 58.9 102.6 32.6 251 -2.9 258 -0.9 0 0.0 0 0.0 14 48
256 A 336 LEU L H H < > TS+ 0 0 -64.9 -27.3 179.9 72.7 90.8 36.1 252 -2.5 259 -1.8 0 0.0 0 0.0 10 48
257 A 337 A ILE I T h < < TS+ 0 0 -56.4 -34.3 179.8 62.8 86.7 36.8 253 -0.8 0 0.0 254 -0.7 0 0.0 8 39
258 A 338 LEU L T T < TS- 0 0 -67.2 -15.6 -179.8 -143.1 96.0 49.6 255 -0.9 231 -1.8 0 0.0 230 -0.7 14 48
259 A 339 LYS K e < T - 0 0 48.5 48.7 178.0 -170.8 25.8 23.6 256 -1.8 230 -1.5 0 0.0 0 0.0 11 45
260 A 340 LEU L E E BI + 229 0 -68.3 132.1 177.0 177.9 7.4 122.2 0 0.0 189 -2.4 0 0.0 0 0.0 13 54
261 A 341 ARG R E E BIA - 228 188 -135.4 161.7 178.3 -105.4 30.7 156.4 228 -2.4 228 -3.1 0 0.0 0 0.0 12 56
262 A 342 TYR Y - 0 0 -80.4 147.4 172.8 -109.8 38.9 124.9 187 -2.2 0 0.0 0 0.0 0 0.0 11 67
263 A 343 PHE F - 0 0 -68.5 146.3 179.4 -115.0 45.9 124.3 0 0.0 0 0.0 0 0.0 0 0.0 11 65
264 A 344 THR T h > T - 0 0 -82.7 161.7 179.6 -106.2 20.2 116.6 0 0.0 268 -2.2 0 0.0 0 0.0 8 59
265 A 345 PRO P H H > TS+ 0 0 -53.4 -40.9 178.3 51.7 124.0 25.1 0 0.0 269 -2.7 0 0.0 0 0.0 10 62
266 A 346 LYS K H H > TS+ 0 0 -63.7 -37.1 179.3 50.6 108.5 31.1 0 0.0 270 -2.0 0 0.0 0 0.0 8 56
267 A 347 GLU E H H > TS+ 0 0 -70.0 -34.9 177.3 49.4 109.9 33.2 0 0.0 271 -2.2 0 0.0 0 0.0 11 58
268 A 348 ILE I H H X TS+ 0 0 -67.8 -43.8 178.0 51.0 110.4 18.3 264 -2.2 272 -2.0 0 0.0 0 0.0 11 67
269 A 349 ALA A H H < >TS+ 0 0 -59.1 -39.2 177.6 51.2 109.7 27.7 265 -2.7 274 -2.9 0 0.0 0 0.0 11 63
270 A 350 ASN N H H < >5TS+ 0 0 -61.8 -48.4 179.0 47.8 110.2 21.0 266 -2.0 273 -1.4 0 0.0 0 0.0 12 55
271 A 351 LEU L H H < 35TS+ 0 0 -62.4 -28.2 179.0 55.5 109.0 38.0 267 -2.2 0 0.0 0 0.0 0 0.0 12 64
272 A 352 LEU L T h < 35TS- 0 0 -82.7 -4.9 178.9 -109.6 121.8 58.8 268 -2.0 299 -2.8 0 0.0 300 -0.6 10 67
273 A 353 GLY G T T <5T + 0 0 88.4 12.7 178.9 158.5 60.9 49.7 270 -1.4 0 0.0 0 0.0 0 0.0 9 55
274 A 354 PHE F t T - 0 0 -65.3 162.4 179.9 -102.2 32.6 102.6 0 0.0 278 -1.9 0 0.0 0 0.0 7 44
276 A 356 PRO P T T 3 TS+ 0 0 -49.9 -42.1 -178.4 51.5 119.5 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
277 A 357 GLU E T T 3 TS+ 0 0 -77.7 -10.8 -179.2 122.1 79.1 58.7 0 0.0 0 0.0 0 0.0 0 0.0 4 31
278 A 358 PHE F t < T + 0 0 -56.2 131.7 179.9 145.0 37.7 111.0 275 -1.9 0 0.0 0 0.0 0 0.0 8 46
279 A 359 GLY G - 0 0 -156.5 -179.8 -179.3 -110.6 41.7 158.0 0 0.0 0 0.0 0 0.0 0 0.0 7 45
280 A 360 PHE F - 0 0 -122.4 152.0 178.7 -99.1 36.3 149.9 0 0.0 0 0.0 0 0.0 0 0.0 9 43
281 A 361 PRO P t > T - 0 0 -65.9 145.9 -178.9 -114.3 39.5 115.8 0 0.0 284 -2.1 0 0.0 0 0.0 8 29
282 A 362 GLU E T T 3 TS+ 0 0 -49.7 -36.6 -179.1 61.0 114.1 34.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
283 A 363 LYS K T T 3 TS+ 0 0 -67.3 -21.1 -179.5 97.7 79.7 49.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
284 A 364 ILE I S t < TS- 0 0 -75.4 121.8 -178.2 -130.3 76.5 129.7 281 -2.1 0 0.0 0 0.0 0 0.0 9 31
285 A 365 THR T h > T - 0 0 -70.3 159.6 179.2 -113.6 16.5 104.9 0 0.0 289 -2.4 0 0.0 0 0.0 7 29
286 A 366 VAL V H H > TS+ 0 0 -59.1 -37.8 179.9 53.8 120.3 25.5 0 0.0 290 -2.3 0 0.0 0 0.0 7 37
287 A 367 LYS K H H > TS+ 0 0 -64.1 -42.0 178.6 47.9 108.2 28.6 0 0.0 291 -1.9 0 0.0 0 0.0 8 37
288 A 368 GLN Q H H > TS+ 0 0 -65.9 -37.9 179.8 55.5 109.4 27.5 0 0.0 292 -3.0 0 0.0 0 0.0 8 40
289 A 369 ARG R H H X TS+ 0 0 -61.3 -46.5 178.1 44.7 109.4 23.7 285 -2.4 293 -2.4 0 0.0 0 0.0 11 52
290 A 370 TYR Y H H X TS+ 0 0 -64.5 -39.4 179.3 51.4 113.8 31.0 286 -2.3 294 -1.9 0 0.0 0 0.0 13 48
291 A 371 ARG R H H X TS+ 0 0 -63.5 -46.9 178.9 45.4 112.3 20.8 287 -1.9 295 -1.0 0 0.0 0 0.0 12 46
292 A 372 LEU L H H X TS+ 0 0 -64.8 -44.7 178.5 46.6 114.9 27.3 288 -3.0 296 -0.6 0 0.0 0 0.0 12 57
293 A 373 LEU L H H < > TS+ 0 0 -66.7 -33.6 178.4 59.1 106.8 28.8 289 -2.4 296 -0.8 0 0.0 0 0.0 13 61
294 A 374 GLY G H H < 3 TS+ 0 0 -63.4 -29.5 178.8 45.3 108.4 37.0 290 -1.9 0 0.0 0 0.0 0 0.0 12 57
295 A 375 ASN N H H < 3 TS+ 0 0 -87.4 -14.2 -178.1 85.2 103.8 56.6 291 -1.0 0 0.0 0 0.0 0 0.0 9 52
296 A 376 SER S S h < < TS- 0 0 -77.6 -169.0 -176.4 -124.8 70.8 86.4 293 -0.8 0 0.0 292 -0.6 0 0.0 10 72
297 A 377 LEU L - 0 0 -133.6 175.2 178.1 -84.0 30.2 138.7 0 0.0 299 -0.8 0 0.0 0 0.0 10 71
298 A 378 ASN N h > T - 0 0 -89.5 111.4 -179.6 -158.1 33.4 142.7 0 0.0 302 -1.9 0 0.0 0 0.0 13 70
299 A 379 VAL V H H > TS+ 0 0 -55.1 -42.4 -179.5 55.2 88.2 29.1 272 -2.8 303 -2.4 297 -0.8 0 0.0 14 64
300 A 380 HIS H H H > TS+ 0 0 -61.0 -46.6 179.8 48.3 107.6 26.1 272 -0.6 304 -2.0 0 0.0 0 0.0 12 54
301 A 381 VAL V H H > TS+ 0 0 -61.0 -50.2 179.4 44.1 114.8 17.8 0 0.0 305 -2.1 0 0.0 0 0.0 11 64
302 A 382 VAL V H H X TS+ 0 0 -62.3 -39.2 -179.6 55.3 111.4 24.2 298 -1.9 306 -2.4 0 0.0 0 0.0 11 67
303 A 383 ALA A H H X TS+ 0 0 -60.9 -40.9 179.5 47.9 108.1 28.6 299 -2.4 307 -2.0 0 0.0 0 0.0 13 57
304 A 384 LYS K H H X TS+ 0 0 -68.1 -40.7 178.7 50.5 111.5 23.7 300 -2.0 308 -2.3 0 0.0 0 0.0 9 51
305 A 385 LEU L H H X TS+ 0 0 -65.1 -35.3 179.0 52.3 108.4 29.9 301 -2.1 309 -2.6 0 0.0 0 0.0 10 64
306 A 386 ILE I H H X TS+ 0 0 -66.5 -41.0 178.2 50.9 108.8 23.0 302 -2.4 310 -2.4 0 0.0 0 0.0 12 57
307 A 387 LYS K H H X TS+ 0 0 -59.6 -43.9 179.7 47.9 111.9 21.0 303 -2.0 311 -1.9 0 0.0 0 0.0 11 43
308 A 388 ILE I H H < TS+ 0 0 -62.3 -47.2 -179.5 46.8 113.5 26.8 304 -2.3 0 0.0 0 0.0 0 0.0 7 44
309 A 389 LEU L H H < TS+ 0 0 -63.7 -41.5 -177.1 48.4 113.4 29.7 305 -2.6 0 0.0 0 0.0 0 0.0 10 53
310 A 390 TYR Y H H < T 0 0 -72.8 -42.1 -178.6 999.9 999.9 32.0 306 -2.4 0 0.0 0 0.0 0 0.0 6 48
311 A 391 GLU E h < T 0 0 -120.4 999.9 999.9 999.9 999.9 134.8 307 -1.9 0 0.0 0 0.0 0 0.0 4 33
1g55A.pdb
1G55 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEET TT HHHHHHHHHT SEEEEEEE HHHHHHHHHH TTS EE S GGG HHHHHHH SEEEE HHHHHHHHGGG SS SEEEEE Kabs/Sand
chirality ------+++--+++++++++-+-+--++--+-+-+++++++++++++----+--+++--++++++---+--+-- +++++++++++-+---+++--+ chirality
bends S SS SSSSSSSSS S S SSSSSSSSSS SSS S SSS SSSSSSS S SSSSSSSSSS SS S bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33< >33< >>3<< >33< >>3<< 3-turns
bridge-2 bbbb cc dddd EEEEE bridge-2
bridge-1 aaaaaa aaa*aaa cc bbbb dddd bridge-1
sheets AAAAAA AAAAAAA AA AAAA AAAAA sheets
4-turns >>>>XXX<<<< >>>>XXXX<<<< >>>>X<<<< >>>>XX<5555< 5-turns
3-turns >3>X3<< >>><<< >33<>33< >>><<<>33<>>><<< >>3< 3-turns
bridge-2 EE gg FFFFFFFF bridge-2
bridge-1 FFFFFFFF EEEEEEE gg A bridge-1
sheets AA AAAAAAAA AAAAAAAA AA sheets
4-turns >>>>XXXXX<<<< >444< >>44<< >>>>X<<<< 4-turns
summary EEegGGGhHHHHHHHHHHHheEEEEEEEEgGGGGgtS eEEEEEEEEeSS tTTttTTeEESS gGGGGgtTTthHHHHh hHHHHHHHhGG summary
sequence NVKGFEVSSTRDLLIQTIENGFQYQEFLLSPTSLGIPNSRLRYFLIAKLQSEPLPFQAPGQVLMEFPKLSVKMLKDFLEDDTDVNQYLLPPKSLLRYALL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE TTTTT TTS EEE SS HHHHHHTTTT HHHHHHHHHTT EE HHHHHHHTT TT TTS HHHHHHHHHHS HH Kabs/Sand
chirality --+-- +-----+++++-+-+-----++-++--++++++++++--++++++++++--+----+++++++-+--+++---++--++++++++++---++ chirality
bends SSSSS SSS SS SSSSSSS SS SSSSSSSSSSS SSSSSSSS SS SSS SSSSSSSSSSS SS bends
turns T TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTT turns
5-turns >5555< 5-turns
3-turns < >3><3< >33< >>3X<3<>33< >>><<< >33< >33< >33< >33< 3-turns
bridge-2 II A bridge-2
bridge-1 hh hh II bridge-1
sheets BB BBB BB sheets
4-turns >444< >>>><<<< >>>>XXX<<<< >>>>X<<<< >>>>XXXX<<<< >>> 4-turns
summary geEE tTTTTTttTTt EEEe SS hHHHHHHhTTTthHHHHHHHHHhTeEE hHHHHHHHhTttTTt tTTthHHHHHHHHHHh hHH summary
sequence LDIVQPTRRSVCFTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQEEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLNVH sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHH Kabs/Sand
chirality +++++++++ chirality
bends SSSSSSSSS bends
turns TTTTTTTTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >XXXXXX<<<< 4-turns
summary HHHHHHHHHHh summary
sequence VVAKLIKILYE sequence
310
Messages
chain break between 77(A 78 ) and 78(A 97 )
chain break between 120(A 139 ) and 121(A 141 )
chain break between 168(A 188 ) and 169(A 248 )
chain break between 207(A 286 ) and 208(A 288 )