Secondary structure calculation program - copyright by David Keith Smith, 1989
1jtaA.pdb
1JTA LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 361
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 1 ALA A 0 0 999.9 172.5 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 28
2 A 2 GLU E - 0 0 -78.9 148.0 178.5 -120.9 999.9 117.5 0 0.0 4 -0.9 0 0.0 0 0.0 7 27
3 A 3 LEU L + 0 0 -89.4 107.4 -179.6 179.4 30.3 143.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
4 A 4 VAL V + 0 0 -72.3 -49.6 -178.6 49.3 69.3 18.5 2 -0.9 6 -0.6 0 0.0 0 0.0 5 31
5 A 5 SER S g > T - 0 0 -99.0 120.8 178.8 -168.9 57.6 145.5 0 0.0 8 -1.0 0 0.0 0 0.0 6 38
6 A 6 ASP D G G > TS+ 0 0 -75.3 -20.7 179.6 71.2 89.7 43.8 4 -0.6 9 -1.4 0 0.0 0 0.0 7 32
7 A 7 LYS K G G > TS+ 0 0 -66.9 -17.3 -179.4 78.7 79.6 46.8 0 0.0 10 -1.4 0 0.0 0 0.0 5 39
8 A 8 ALA A G G < TS+ 0 0 -63.2 -26.7 -178.9 58.9 85.1 39.7 5 -1.0 0 0.0 0 0.0 0 0.0 10 55
9 A 9 LEU L G G < TS+ 0 0 -81.3 -7.6 -179.3 114.8 81.0 56.6 6 -1.4 0 0.0 0 0.0 0 0.0 9 45
10 A 10 GLU E g < T - 0 0 -66.5 143.2 178.9 -145.6 55.6 109.5 7 -1.4 0 0.0 0 0.0 0 0.0 8 46
11 A 11 SER S - 0 0 -99.1 177.6 179.8 -67.4 37.9 116.1 0 0.0 0 0.0 0 0.0 0 0.0 9 51
12 A 12 ALA A - 0 0 -64.1 153.5 -179.9 -95.2 63.1 105.4 24 -2.6 0 0.0 0 0.0 0 0.0 11 57
13 A 13 PRO P - 0 0 -66.9 162.1 179.6 -109.2 29.8 100.0 0 0.0 0 0.0 0 0.0 0 0.0 6 47
14 A 14 THR T S S S+ 0 0 -60.5 -31.4 179.5 78.2 103.5 32.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
15 A 15 VAL V S S S+ 0 0 -80.6 136.5 178.0 46.0 79.3 126.7 0 0.0 0 0.0 0 0.0 0 0.0 8 46
16 A 16 GLY G S g > TS- 0 0 114.2 149.3 -180.0 -88.0 86.9 95.0 0 0.0 19 -1.7 0 0.0 0 0.0 13 55
17 A 17 TRP W G G > TS+ 0 0 -63.4 -21.9 179.7 74.3 113.7 44.7 196 -0.5 20 -1.8 0 0.0 0 0.0 13 56
18 A 18 ALA A G G 3 TS+ 0 0 -69.9 -3.7 179.9 48.3 99.3 56.5 0 0.0 0 0.0 0 0.0 0 0.0 17 58
19 A 19 SER S G G < TS+ 0 0 -120.1 17.2 178.6 94.9 94.2 82.7 16 -1.7 0 0.0 0 0.0 0 0.0 14 44
20 A 20 GLN Q S g < TS+ 0 0 -110.0 144.4 -179.8 12.0 89.7 150.5 17 -1.8 0 0.0 0 0.0 0 0.0 10 41
21 A 21 ASN N S S S- 0 0 58.8 37.6 -178.9 -12.7 142.0 28.7 0 0.0 0 0.0 0 0.0 0 0.0 5 34
22 A 22 GLY G S S S- 0 0 123.0 166.7 -179.6 -82.5 88.4 120.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
23 A 23 PHE F - 0 0 -107.8 158.0 177.6 -134.2 21.5 135.6 0 0.0 25 -0.7 0 0.0 0 0.0 11 41
24 A 24 THR T + 0 0 -111.2 103.0 -179.2 148.8 41.5 157.3 0 0.0 12 -2.6 0 0.0 0 0.0 14 56
25 A 25 THR T t > T - 0 0 -112.1 -6.4 -179.5 -163.0 31.6 64.5 23 -0.7 28 -1.8 0 0.0 0 0.0 13 53
26 A 26 GLY G T T 3 T - 0 0 58.8 -130.9 -179.6 -23.0 67.2 109.8 0 0.0 0 0.0 0 0.0 0 0.0 15 59
27 A 27 GLY G T T > TS+ 0 0 -102.3 25.9 -179.5 129.3 91.8 86.3 0 0.0 30 -2.6 0 0.0 0 0.0 15 55
28 A 28 ALA A T T < TS+ 0 0 -49.8 -27.5 -178.7 55.7 72.0 42.5 25 -1.8 0 0.0 0 0.0 0 0.0 13 48
29 A 29 ALA A T T 3 TS+ 0 0 -92.7 12.3 -179.1 138.7 80.5 74.7 0 0.0 0 0.0 0 0.0 0 0.0 7 37
30 A 30 ALA A t < T - 0 0 -60.6 144.5 177.8 -128.8 50.1 102.1 27 -2.6 0 0.0 0 0.0 0 0.0 12 45
31 A 31 THR T g > T - 0 0 -85.8 164.1 -179.3 -98.3 34.8 118.4 54 -0.5 34 -2.3 0 0.0 0 0.0 8 28
32 A 32 SER S G G > TS+ 0 0 -52.4 -36.2 179.7 60.0 125.7 32.1 0 0.0 35 -1.5 0 0.0 0 0.0 7 28
33 A 33 ASP D G G 3 TS+ 0 0 -65.7 -19.1 -179.5 50.4 105.1 45.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
34 A 34 ASN N G e < TS+ 0 0 -109.9 26.1 176.8 95.7 86.3 88.9 31 -2.3 56 -2.5 0 0.0 36 -0.5 14 42
35 A 35 ILE I E E Aa < T - 56 0 -115.0 119.5 -177.2 -178.0 58.9 169.1 32 -1.5 0 0.0 0 0.0 0 0.0 14 47
36 A 36 TYR Y E E Aa - 57 0 -124.4 161.6 176.2 -155.3 31.8 146.1 56 -3.1 58 -2.8 34 -0.5 0 0.0 13 48
37 A 37 ILE I E E Aa - 58 0 -130.4 112.6 -178.3 -171.5 26.5 168.8 0 0.0 0 0.0 0 0.0 0 0.0 10 47
38 A 38 VAL V E E Aa + 59 0 -116.1 139.7 -178.7 174.2 23.2 156.2 58 -2.8 60 -2.6 0 0.0 0 0.0 11 45
39 A 39 THR T + 0 0 -118.8 -2.3 178.9 29.0 68.9 67.3 0 0.0 0 0.0 0 0.0 0 0.0 11 37
40 A 40 ASN N S h > TS- 0 0 -151.6 169.9 -178.2 -98.1 85.2 162.8 0 0.0 44 -2.0 0 0.0 0 0.0 10 38
41 A 41 ILE I H H > TS+ 0 0 -61.9 -35.3 179.9 56.6 117.7 31.3 0 0.0 45 -2.5 0 0.0 0 0.0 12 43
42 A 42 SER S H H > TS+ 0 0 -63.1 -45.8 180.0 44.1 109.6 20.3 0 0.0 46 -1.8 0 0.0 0 0.0 7 35
43 A 43 GLU E H H > TS+ 0 0 -65.9 -35.2 -179.9 55.7 112.3 28.9 0 0.0 47 -2.3 0 0.0 0 0.0 9 35
44 A 44 PHE F H H X TS+ 0 0 -63.0 -50.5 -179.9 41.7 110.2 18.9 40 -2.0 48 -2.2 0 0.0 0 0.0 11 54
45 A 45 THR T H H X TS+ 0 0 -68.2 -29.3 178.9 56.7 112.4 34.6 41 -2.5 49 -1.0 0 0.0 0 0.0 9 45
46 A 46 SER S H H < > TS+ 0 0 -65.6 -46.0 179.8 45.1 109.2 20.3 42 -1.8 49 -0.6 0 0.0 0 0.0 8 35
47 A 47 ALA A H H < > TS+ 0 0 -64.2 -40.9 -179.7 56.7 108.7 25.8 43 -2.3 50 -1.5 0 0.0 0 0.0 10 44
48 A 48 LEU L H H < > TS+ 0 0 -63.3 -22.0 -179.2 78.6 87.9 41.8 44 -2.2 51 -1.6 0 0.0 0 0.0 10 51
49 A 49 SER S T h < < T + 0 0 -68.0 1.7 179.1 88.8 67.1 61.9 45 -1.0 0 0.0 46 -0.6 0 0.0 6 34
50 A 50 ALA A T T X TS- 0 0 -75.5 -4.5 178.7 -164.3 79.7 57.8 47 -1.5 53 -1.6 0 0.0 0 0.0 9 39
51 A 51 GLY G T T < T - 0 0 62.7 -129.3 -178.9 -7.3 59.2 109.1 48 -1.6 0 0.0 0 0.0 0 0.0 7 42
52 A 52 ALA A T T 3 TS+ 0 0 -81.7 -3.6 178.5 118.0 100.9 60.9 0 0.0 0 0.0 0 0.0 0 0.0 9 43
53 A 53 GLU E S t < TS- 0 0 -64.8 133.3 178.6 -97.7 82.7 116.7 50 -1.6 0 0.0 0 0.0 0 0.0 11 37
54 A 54 ALA A + 0 0 -51.6 129.7 -178.7 172.8 59.0 106.7 0 0.0 31 -0.5 0 0.0 0 0.0 14 44
55 A 55 LYS K E E A b - 0 89 -148.8 145.2 178.0 -153.3 32.4 179.8 88 -2.0 90 -2.0 0 0.0 57 -0.5 17 56
56 A 56 ILE I E E Aab - 35 90 -118.9 117.5 -179.0 -168.2 15.4 167.9 34 -2.5 36 -3.1 0 0.0 58 -0.6 16 60
57 A 57 ILE I E E Aab - 36 91 -112.6 110.9 -179.1 -158.3 5.7 158.1 90 -3.2 92 -2.3 55 -0.5 59 -0.6 15 71
58 A 58 GLN Q E E Aab - 37 92 -92.8 120.0 -178.6 -145.0 9.9 143.0 36 -2.8 38 -2.8 56 -0.6 60 -0.5 12 64
59 A 59 ILE I E E Aab - 38 93 -90.4 123.6 179.5 -169.1 13.0 137.6 92 -2.3 94 -2.9 57 -0.6 61 -0.6 16 59
60 A 60 LYS K e - 0 0 -115.5 115.4 179.2 -33.8 54.5 160.8 38 -2.6 0 0.0 58 -0.5 0 0.0 14 45
61 A 61 GLY G S e S- 0 0 78.3 -157.7 -179.1 -19.0 105.6 110.8 59 -0.6 99 -2.6 0 0.0 0 0.0 9 37
62 A 62 THR T E E Bc - 99 0 -94.1 130.4 179.1 -156.6 52.9 139.2 0 0.0 64 -0.7 0 0.0 0 0.0 12 45
63 A 63 ILE I E E Bc - 100 0 -107.0 111.8 179.6 -153.5 7.2 156.6 99 -3.5 101 -2.0 0 0.0 65 -1.0 13 50
64 A 64 ASP D E E Bc > T - 101 0 -88.5 104.5 -178.9 -164.3 3.5 138.9 62 -0.7 67 -2.2 0 0.0 0 0.0 12 43
65 A 65 ILE I T e 3 TS+ 0 0 -59.5 -24.9 179.3 60.3 88.7 39.2 101 -2.3 0 0.0 63 -1.0 0 0.0 12 53
66 A 66 SER S T T > TS- 0 0 -79.2 -8.7 179.9 -135.0 101.6 55.4 0 0.0 69 -2.0 0 0.0 0 0.0 13 44
67 A 67 GLY G T T < T - 0 0 62.0 20.2 179.5 -57.5 67.7 43.1 64 -2.2 0 0.0 0 0.0 0 0.0 8 34
68 A 68 GLY G T T 3 TS+ 0 0 91.2 -0.8 180.0 107.7 117.5 64.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
69 A 69 THR T t < T - 0 0 -114.2 109.3 179.9 -132.6 67.6 157.3 66 -2.0 0 0.0 0 0.0 0 0.0 5 27
70 A 70 PRO P - 0 0 -58.3 147.3 -179.7 -98.4 33.6 103.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
71 A 71 TYR Y - 0 0 -69.3 132.5 -177.8 -157.7 28.3 120.0 0 0.0 0 0.0 0 0.0 0 0.0 9 32
72 A 72 THR T - 0 0 -85.3 -21.7 179.3 -22.9 66.4 46.6 0 0.0 0 0.0 0 0.0 0 0.0 7 23
73 A 73 ASP D S h > TS- 0 0 -170.6 -178.6 -179.5 -73.3 79.8 163.0 0 0.0 77 -2.6 0 0.0 0 0.0 8 27
74 A 74 PHE F H H > TS+ 0 0 -56.8 -51.3 -179.3 51.6 125.3 21.7 0 0.0 78 -3.2 0 0.0 0 0.0 11 34
75 A 75 ALA A H H > TS+ 0 0 -54.1 -43.9 -179.8 47.2 112.6 25.5 0 0.0 79 -2.3 0 0.0 0 0.0 6 24
76 A 76 ASP D H H > TS+ 0 0 -65.0 -48.3 -180.0 46.4 113.4 19.8 0 0.0 80 -2.0 0 0.0 0 0.0 9 29
77 A 77 GLN Q H H X TS+ 0 0 -62.9 -38.0 179.2 49.1 114.4 26.2 73 -2.6 81 -2.4 0 0.0 0 0.0 13 40
78 A 78 LYS K H H < TS+ 0 0 -66.7 -38.9 -178.6 47.4 113.4 27.1 74 -3.2 0 0.0 0 0.0 0 0.0 8 36
79 A 79 ALA A H H < TS+ 0 0 -74.6 -27.3 -177.4 22.5 126.9 40.7 75 -2.3 0 0.0 0 0.0 0 0.0 7 29
80 A 80 ARG R H H < TS+ 0 0 -115.9 -21.4 -175.2 56.9 113.9 47.3 76 -2.0 0 0.0 0 0.0 0 0.0 9 38
81 A 81 SER S S h < TS+ 0 0 -94.4 -9.8 -179.0 87.7 79.1 55.0 77 -2.4 104 -2.5 0 0.0 83 -0.9 11 50
82 A 82 GLN Q E E Cd - 104 0 -96.1 105.7 -178.1 -168.4 58.1 142.9 0 0.0 84 -0.7 0 0.0 0 0.0 11 53
83 A 83 ILE I E E Cd - 105 0 -99.9 114.4 -179.1 -145.8 10.3 145.8 104 -2.6 106 -3.3 81 -0.9 0 0.0 10 54
84 A 84 ASN N E E Cd - 106 0 -80.7 132.7 178.0 -152.1 2.8 125.9 82 -0.7 0 0.0 0 0.0 0 0.0 9 55
85 A 85 ILE I e - 0 0 -104.2 118.4 -179.6 -144.2 21.0 158.0 106 -3.2 0 0.0 0 0.0 0 0.0 12 63
86 A 86 PRO P - 0 0 -77.9 174.8 -179.4 -67.9 30.7 99.6 0 0.0 0 0.0 0 0.0 0 0.0 13 56
87 A 87 ALA A S S S+ 0 0 -61.1 154.2 178.2 21.7 112.1 98.5 0 0.0 0 0.0 0 0.0 0 0.0 14 52
88 A 88 ASN N S e S+ 0 0 53.4 53.7 -179.3 144.4 89.9 22.5 114 -2.1 55 -2.0 0 0.0 0 0.0 15 56
89 A 89 THR T E E Abe - 55 116 -125.9 140.8 175.7 -164.6 37.9 162.7 115 -1.0 117 -2.7 0 0.0 91 -0.5 17 68
90 A 90 THR T E E Abe - 56 117 -122.5 114.8 177.5 -170.8 6.0 170.0 55 -2.0 57 -3.2 0 0.0 92 -0.7 15 72
91 A 91 VAL V E E Abe + 57 118 -104.9 111.8 -178.1 173.9 18.8 161.5 117 -3.2 119 -3.4 89 -0.5 0 0.0 11 87
92 A 92 ILE I E E Abe - 58 119 -128.3 133.1 -179.1 -129.2 26.8 168.1 57 -2.3 59 -2.3 90 -0.7 0 0.0 14 72
93 A 93 GLY G E E Ab - 59 0 -80.0 143.4 178.2 -134.1 17.5 121.5 119 -2.6 0 0.0 0 0.0 0 0.0 16 57
94 A 94 LEU L e > T - 0 0 -94.6 135.1 178.4 -28.6 63.8 142.7 59 -2.9 97 -0.5 0 0.0 0 0.0 14 49
95 A 95 GLY G T T 3 TS- 0 0 65.1 -151.2 -177.0 -40.8 104.9 100.0 0 0.0 0 0.0 0 0.0 0 0.0 7 36
96 A 96 THR T T T 3 TS+ 0 0 -92.5 -15.7 -175.6 46.1 127.0 52.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
97 A 97 ASP D t < T + 0 0 -125.8 32.4 177.9 142.7 57.4 87.7 94 -0.5 0 0.0 0 0.0 0 0.0 13 38
98 A 98 ALA A e + 0 0 -69.9 127.4 -176.3 169.7 35.9 126.2 0 0.0 122 -2.0 0 0.0 0 0.0 17 48
99 A 99 LYS K E E Bcf - 62 122 -148.6 150.8 177.4 -155.6 33.9 172.3 61 -2.6 63 -3.5 0 0.0 0 0.0 14 57
100 A 100 PHE F E E Bcf + 63 123 -121.6 140.3 177.4 179.3 19.7 164.5 122 -2.7 124 -2.4 0 0.0 0 0.0 13 66
101 A 101 ILE I E E Bc + 64 0 -139.4 158.1 178.0 19.9 55.4 163.4 63 -2.0 65 -2.3 0 0.0 0 0.0 13 57
102 A 102 ASN N S S S+ 0 0 58.1 33.5 179.6 59.5 107.8 42.3 0 0.0 0 0.0 0 0.0 0 0.0 12 56
103 A 103 GLY G S S S- 0 0 -167.8 -177.9 -179.8 -106.7 72.1 165.3 0 0.0 0 0.0 0 0.0 0 0.0 16 65
104 A 104 SER S E E Cd - 82 0 -126.8 143.9 176.5 -137.2 18.7 163.0 81 -2.5 83 -2.6 0 0.0 106 -0.6 14 64
105 A 105 LEU L E E Cdg - 83 146 -100.1 119.6 -177.2 -159.9 28.2 155.2 145 -2.3 147 -2.1 0 0.0 107 -0.5 11 70
106 A 106 ILE I E E Cdg - 84 147 -110.1 125.7 178.0 -170.7 19.7 153.4 83 -3.3 85 -3.2 104 -0.6 108 -0.8 12 64
107 A 107 ILE I E E C g + 0 148 -112.1 91.7 -176.3 179.0 21.8 149.7 147 -3.1 149 -2.4 105 -0.5 109 -0.6 15 61
108 A 108 ASP D E E C g>>T - 0 149 -103.3 110.7 -179.3 -167.3 22.7 149.7 106 -0.8 111 -0.9 0 0.0 113 -0.7 16 48
109 A 109 GLY G G e >5T + 0 0 -77.7 8.2 -179.4 102.7 65.0 68.3 149 -2.8 112 -2.1 107 -0.6 0 0.0 14 42
110 A 110 THR T G G 35TS+ 0 0 -62.9 -20.9 179.0 38.8 90.5 42.7 0 0.0 0 0.0 0 0.0 0 0.0 9 28
111 A 111 ASP D G G <5TS- 0 0 -113.8 19.2 178.9 -89.0 133.7 84.2 108 -0.9 0 0.0 0 0.0 0 0.0 5 29
112 A 112 GLY G T g <5T + 0 0 90.8 -0.6 -179.4 170.8 66.8 65.6 109 -2.1 0 0.0 0 0.0 0 0.0 9 33
113 A 113 THR T e DJ > T - 138 0 -114.5 123.1 -179.8 -115.7 24.0 161.4 138 -2.9 137 -2.8 0 0.0 138 -2.4 8 21
135 A 135 LYS K T T 4 3 TS+ 0 0 -57.3 107.5 179.3 8.7 104.2 111.6 133 -0.5 0 0.0 0 0.0 0 0.0 5 12
136 A 136 GLY G T T 4 3 TS+ 0 0 101.7 -0.9 -179.7 55.7 129.5 65.7 0 0.0 0 0.0 0 0.0 0 0.0 4 11
137 A 137 ASP D T T 4 < TS- 0 0 -134.0 -21.7 179.9 -140.8 88.4 58.2 134 -2.8 0 0.0 0 0.0 0 0.0 7 21
138 A 138 GLY G E E T + 108 0 -142.3 -180.0 178.9 37.6 29.1 143.8 107 -2.4 109 -2.8 147 -0.6 152 -1.5 16 58
150 A 150 ASN N T T 3 TS- 0 0 41.6 52.0 177.1 -44.4 124.3 34.9 0 0.0 0 0.0 0 0.0 0 0.0 11 46
151 A 151 GLY G T T 3 TS+ 0 0 80.1 8.3 178.5 158.9 85.7 55.1 191 -2.1 0 0.0 190 -0.6 0 0.0 13 48
152 A 152 ALA A e < T - 0 0 -61.8 144.8 -179.2 -177.6 20.1 112.9 149 -1.5 194 -1.7 0 0.0 0 0.0 17 58
153 A 153 HIS H E E Ahl + 114 194 -148.7 158.1 -178.5 39.2 41.8 170.6 113 -0.6 115 -2.1 0 0.0 0 0.0 13 62
154 A 154 HIS H E E A** + 0 0 64.2 75.3 -179.5 160.5 67.1 3.4 194 -1.6 116 -1.9 195 -0.8 0 0.0 16 63
155 A 155 VAL V E E Ahl - 116 196 -129.3 131.9 179.5 -162.3 25.1 173.1 195 -1.6 197 -2.2 0 0.0 157 -0.5 15 75
156 A 156 TRP W E E Ahl - 117 197 -120.8 117.2 179.3 -171.0 2.7 164.8 116 -2.5 118 -2.4 0 0.0 158 -0.6 15 75
157 A 157 ILE I E E Ahl + 118 198 -106.3 113.8 -177.7 171.0 19.5 159.6 197 -2.8 199 -2.7 155 -0.5 0 0.0 13 78
158 A 158 ASP D E E Ahl - 119 199 -133.8 136.5 -179.9 -7.0 56.4 170.7 118 -2.3 120 -2.2 156 -0.6 0 0.0 12 67
159 A 159 HIS H S e S+ 0 0 49.8 48.4 178.2 148.1 88.5 24.0 199 -1.9 0 0.0 0 0.0 0 0.0 17 58
160 A 160 VAL V e - 0 0 -110.9 147.0 177.3 -154.2 35.4 149.3 0 0.0 202 -2.8 0 0.0 0 0.0 17 68
161 A 161 THR T E E Bim - 122 202 -122.7 131.0 177.3 -175.1 9.2 171.5 121 -2.0 123 -3.4 0 0.0 0 0.0 14 68
162 A 162 ILE I E E Bim + 123 203 -124.6 126.4 -178.5 151.8 19.9 176.0 202 -2.4 204 -2.6 0 0.0 0 0.0 13 69
163 A 163 SER S E E Bim - 124 204 -152.5 154.6 177.7 -122.3 57.2 171.8 123 -1.4 125 -2.1 0 0.0 0 0.0 13 62
164 A 164 ASP D e > T + 0 0 -69.3 -18.5 177.8 166.4 59.5 43.7 205 -1.7 167 -2.0 204 -1.0 0 0.0 13 53
165 A 165 GLY G T T 3 T + 0 0 48.6 -117.5 -178.2 17.4 58.7 99.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
166 A 166 ASN N T T 3 TS+ 0 0 -63.1 -14.7 -179.3 48.2 130.1 54.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
167 A 167 PHE F S t < TS- 0 0 -133.6 94.9 179.6 -179.7 72.3 145.8 164 -2.0 0 0.0 0 0.0 0 0.0 6 35
168 A 168 THR T g > T - 0 0 -92.3 159.2 -177.1 -103.6 42.2 124.5 0 0.0 171 -2.5 0 0.0 0 0.0 10 44
169 A 169 ASP D G G > TS+ 0 0 -55.3 -24.0 179.0 68.9 115.2 46.6 0 0.0 172 -1.7 0 0.0 0 0.0 11 44
170 A 170 ASP D G G 3 TS+ 0 0 -70.6 -10.6 179.7 60.9 95.0 50.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
171 A 171 MET M G G < TS+ 0 0 -95.8 3.9 178.6 121.0 77.1 69.9 168 -2.5 0 0.0 0 0.0 0 0.0 6 28
172 A 172 TYR Y g < T - 0 0 -65.5 148.8 176.8 -149.9 51.3 111.3 169 -1.7 0 0.0 0 0.0 0 0.0 10 37
173 A 173 THR T e - 0 0 -104.3 -170.2 178.8 -111.0 16.4 111.3 0 0.0 180 -2.6 0 0.0 0 0.0 6 26
174 A 174 THR T E E EN - 179 0 -126.8 147.5 178.8 -166.5 23.7 161.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
175 A 175 LYS K E E EN > TS- 178 0 -136.6 131.6 -179.7 -7.8 73.8 175.9 178 -2.8 178 -1.7 0 0.0 0 0.0 7 23
176 A 176 ASP D T T 3 TS- 0 0 54.5 31.7 178.5 -54.8 131.2 36.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
177 A 177 GLY G T T 3 TS+ 0 0 81.5 11.9 179.7 101.5 118.0 54.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
178 A 178 GLU E E E EN < TS- 175 0 -128.9 148.9 178.9 -93.1 84.6 162.0 175 -1.7 175 -2.8 0 0.0 0 0.0 8 25
179 A 179 THR T E E EN - 174 0 -60.0 121.8 -178.1 -131.6 40.0 114.9 0 0.0 181 -1.8 0 0.0 0 0.0 10 32
180 A 180 TYR Y e - 0 0 -81.0 79.2 -179.8 -160.6 24.5 123.1 173 -2.6 0 0.0 0 0.0 0 0.0 10 32
181 A 181 VAL V + 0 0 -65.5 116.6 -178.9 168.9 20.8 118.0 179 -1.8 0 0.0 0 0.0 0 0.0 11 44
182 A 182 GLN Q + 0 0 -111.6 0.5 177.6 77.1 53.3 66.8 0 0.0 128 -3.1 0 0.0 0 0.0 13 52
183 A 183 HIS H + 0 0 -109.6 142.2 177.1 179.0 53.7 152.8 0 0.0 141 -0.5 0 0.0 0 0.0 14 61
184 A 184 ASP D - 0 0 -110.8 -134.9 178.5 -28.8 51.9 87.1 143 -0.9 0 0.0 0 0.0 0 0.0 11 64
185 A 185 GLY G - 0 0 -76.7 170.9 179.8 -144.4 46.3 102.7 0 0.0 0 0.0 0 0.0 0 0.0 13 58
186 A 186 ALA A S e S+ 0 0 -100.4 -60.0 179.6 6.2 82.9 32.8 209 -2.5 146 -1.8 0 0.0 145 -1.6 14 72
187 A 187 LEU L E E Cko S- 146 210 -131.5 119.6 179.9 -173.6 70.7 170.0 209 -2.3 211 -0.9 0 0.0 0 0.0 11 74
188 A 188 ASP D E E Cko - 147 211 -116.6 140.7 178.4 -175.3 9.4 157.5 146 -2.4 148 -2.7 0 0.0 0 0.0 15 70
189 A 189 ILE I E E Cko + 148 212 -132.5 119.4 -175.7 132.7 32.3 170.6 211 -2.1 213 -2.8 0 0.0 0 0.0 13 71
190 A 190 LYS K e > T + 0 0 -154.7 -175.6 178.0 53.9 24.9 150.4 148 -2.9 193 -0.9 0 0.0 151 -0.6 16 62
191 A 191 ARG R T T 3 TS- 0 0 43.1 68.2 177.3 -38.3 120.4 26.0 0 0.0 151 -2.1 0 0.0 0 0.0 12 49
192 A 192 GLY G T T 3 TS+ 0 0 70.3 7.5 178.5 149.1 93.0 56.1 0 0.0 0 0.0 0 0.0 0 0.0 12 50
193 A 193 SER S t < T + 0 0 -68.1 161.1 -177.8 175.5 22.6 108.6 190 -0.9 226 -2.1 0 0.0 0 0.0 16 60
194 A 194 ASP D E E Al + 153 0 -161.9 168.4 177.8 42.9 35.2 169.9 152 -1.7 154 -1.6 0 0.0 0 0.0 12 62
195 A 195 TYR Y E E A* + 0 0 52.1 74.5 -179.1 160.0 64.6 14.2 0 0.0 155 -1.6 0 0.0 154 -0.8 16 65
196 A 196 VAL V E E Alp - 155 228 -126.6 144.0 177.6 -165.4 25.0 161.5 227 -2.2 229 -2.3 0 0.0 17 -0.5 16 75
197 A 197 THR T E E Alp - 156 229 -131.0 128.1 179.2 -169.3 0.6 176.8 155 -2.2 157 -2.8 0 0.0 199 -0.5 14 72
198 A 198 ILE I E E Alp + 157 230 -118.8 113.0 -178.0 165.5 21.9 165.0 229 -3.4 231 -1.9 0 0.0 0 0.0 13 73
199 A 199 SER S E E Alp + 158 231 -133.9 154.4 177.1 0.7 51.1 159.5 157 -2.7 159 -1.9 197 -0.5 0 0.0 12 68
200 A 200 ASN N S e S+ 0 0 45.5 35.8 -178.7 136.8 92.0 41.1 231 -1.5 357 -2.0 0 0.0 0 0.0 15 55
201 A 201 SER S e - 0 0 -110.4 167.9 -179.4 -145.0 44.5 128.6 0 0.0 234 -2.5 0 0.0 0 0.0 16 68
202 A 202 LEU L E E Bmq - 161 234 -135.5 129.3 175.5 -171.4 8.4 174.8 160 -2.8 162 -2.4 0 0.0 204 -0.5 15 64
203 A 203 ILE I E E Bmq - 162 235 -117.6 120.6 -176.8 -177.7 23.1 173.0 234 -2.4 236 -2.6 0 0.0 0 0.0 13 68
204 A 204 ASP D E E Bmq - 163 236 -130.0 132.9 178.6 -3.4 47.1 168.5 162 -2.6 164 -1.0 202 -0.5 0 0.0 13 61
205 A 205 GLN Q E E B * S+ 0 0 55.8 87.9 179.7 124.6 84.1 12.3 236 -2.4 164 -1.7 0 0.0 0 0.0 12 57
206 A 206 HIS H E E B q - 0 238 -167.1 153.5 -179.9 -144.7 47.7 163.9 237 -1.8 239 -2.4 0 0.0 0 0.0 15 62
207 A 207 ASP D E E B * S+ 0 0 -87.8 -95.1 179.9 27.4 88.6 31.9 0 0.0 240 -1.8 0 0.0 209 -1.2 9 65
208 A 208 LYS K E E B q S+ 0 240 -74.7 100.7 -173.2 166.6 82.4 126.9 0 0.0 0 0.0 0 0.0 0 0.0 12 59
209 A 209 THR T e + 0 0 -86.8 -75.5 -177.2 11.0 44.0 7.0 240 -2.1 186 -2.5 207 -1.2 187 -2.3 15 67
210 A 210 MET M E E Co - 187 0 -121.9 108.6 179.7 -179.7 54.4 154.9 241 -3.2 244 -2.4 0 0.0 212 -0.6 14 73
211 A 211 LEU L E E Cor - 188 244 -107.5 118.0 179.2 -170.8 5.1 156.1 187 -0.9 189 -2.1 0 0.0 213 -0.6 16 66
212 A 212 ILE I E E Cor + 189 245 -109.7 112.9 -177.9 14.6 67.8 160.6 244 -2.7 246 -2.3 210 -0.6 0 0.0 13 70
213 A 213 GLY G S e S- 0 0 92.2 123.6 -179.4 -135.3 77.8 62.1 189 -2.8 0 0.0 211 -0.6 0 0.0 14 61
214 A 214 HIS H - 0 0 -114.0 147.7 -179.5 -103.8 25.1 149.6 0 0.0 216 -1.8 0 0.0 0 0.0 9 52
215 A 215 ASN N + 0 0 -71.6 88.1 -179.9 158.7 61.6 120.0 0 0.0 0 0.0 0 0.0 0 0.0 5 35
216 A 216 ASP D t > T - 0 0 -109.7 164.2 -179.3 -110.1 52.9 133.9 214 -1.8 219 -1.1 0 0.0 0 0.0 5 27
217 A 217 THR T T T 3 TS+ 0 0 -59.2 -46.3 -178.9 34.5 116.1 26.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
218 A 218 ASN N T g > TS+ 0 0 -106.8 45.8 -178.7 141.6 74.4 105.1 0 0.0 221 -1.6 0 0.0 0 0.0 5 21
219 A 219 SER S G G X T + 0 0 -60.9 -20.8 -180.0 86.0 49.8 48.7 216 -1.1 222 -3.3 0 0.0 0 0.0 10 32
220 A 220 ALA A G G > TS+ 0 0 -54.1 -20.8 180.0 70.4 78.5 41.7 0 0.0 223 -1.3 0 0.0 0 0.0 5 29
221 A 221 GLN Q G G < TS+ 0 0 -75.2 -4.0 178.0 65.5 86.3 58.8 218 -1.6 0 0.0 0 0.0 0 0.0 7 32
222 A 222 ASP D G G X TS+ 0 0 -89.2 -14.4 -178.8 120.5 75.0 52.5 219 -3.3 225 -2.0 0 0.0 0 0.0 14 43
223 A 223 LYS K T g < TS+ 0 0 -55.1 130.6 178.8 6.9 82.3 103.8 220 -1.3 0 0.0 0 0.0 0 0.0 9 39
224 A 224 GLY G T T 3 TS+ 0 0 72.5 15.9 179.8 86.7 117.9 49.4 247 -0.5 0 0.0 0 0.0 0 0.0 8 42
225 A 225 LYS K t < T + 0 0 -125.2 -160.1 179.0 69.9 46.9 115.3 222 -2.0 0 0.0 0 0.0 0 0.0 12 50
226 A 226 LEU L e + 0 0 49.6 48.2 177.9 176.2 58.1 26.9 193 -2.1 249 -1.3 0 0.0 228 -0.6 17 68
227 A 227 HIS H E E A s + 0 249 -83.8 121.2 -179.7 178.9 6.3 139.1 0 0.0 196 -2.2 0 0.0 0 0.0 12 66
228 A 228 VAL V E E Aps - 196 250 -131.6 133.2 178.5 -161.9 18.6 171.4 249 -2.0 251 -2.5 226 -0.6 0 0.0 16 76
229 A 229 THR T E E Aps - 197 251 -111.2 132.6 178.7 -176.0 9.3 158.9 196 -2.3 198 -3.4 0 0.0 0 0.0 13 70
230 A 230 LEU L E E Aps + 198 252 -130.9 122.2 179.0 160.7 11.8 170.4 251 -2.9 253 -2.0 0 0.0 0 0.0 14 74
231 A 231 PHE F E E Aps + 199 253 -145.6 146.2 -179.5 8.0 57.7 178.4 198 -1.9 200 -1.5 0 0.0 0 0.0 11 65
232 A 232 ASN N S e S+ 0 0 58.1 34.7 178.6 138.0 88.5 37.3 254 -1.3 0 0.0 253 -0.9 0 0.0 13 62
233 A 233 ASN N e - 0 0 -104.3 164.0 178.3 -137.2 46.8 131.1 0 0.0 256 -3.2 0 0.0 0 0.0 17 67
234 A 234 VAL V E E Bqt - 202 256 -124.7 129.9 178.2 -168.2 9.8 170.6 201 -2.5 203 -2.4 0 0.0 236 -0.6 17 64
235 A 235 PHE F E E Bqt + 203 257 -118.5 101.4 -176.6 179.0 21.2 160.3 256 -2.8 258 -2.7 0 0.0 0 0.0 13 68
236 A 236 ASN N E E Bqt - 204 258 -114.1 129.0 179.9 -9.4 60.8 157.2 203 -2.6 205 -2.4 234 -0.6 0 0.0 11 62
237 A 237 ARG R E E B* S+ 0 0 54.9 45.9 178.9 152.1 88.2 22.3 258 -2.3 206 -1.8 0 0.0 239 -0.5 14 51
238 A 238 VAL V E E Bq - 206 0 -111.3 122.6 -177.4 -153.6 38.3 161.8 0 0.0 0 0.0 0 0.0 0 0.0 17 61
239 A 239 THR T E E B* - 0 0 -59.8 -51.2 -178.1 -28.6 63.1 22.7 206 -2.4 269 -2.7 237 -0.5 270 -1.1 13 56
240 A 240 GLU E E E Bq S+ 208 0 -162.8 169.3 178.8 58.3 97.0 169.6 207 -1.8 209 -2.1 0 0.0 0 0.0 15 55
241 A 241 ARG R + 0 0 66.2 81.9 -179.2 170.7 37.6 4.0 0 0.0 210 -3.2 0 0.0 0 0.0 13 58
242 A 242 ALA A S S S- 0 0 -137.1 50.3 0.1 -24.5 99.7 104.8 271 -3.4 0 0.0 0 0.0 0 0.0 12 77
243 A 243 PRO P S e S- 0 0 -110.0 173.4 174.0 -169.2 76.1 52.8 0 0.0 273 -2.2 0 0.0 245 -0.6 12 76
244 A 244 ARG R E E Cru - 211 273 -104.4 122.1 -176.8 -168.5 32.5 164.6 210 -2.4 212 -2.7 0 0.0 0 0.0 14 61
245 A 245 VAL V E E Cru - 212 274 -127.1 143.1 176.5 -176.6 25.9 159.0 273 -2.9 275 -2.7 243 -0.6 0 0.0 17 67
246 A 246 ARG R S e S- 0 0 -130.8 133.4 -178.9 -11.7 80.6 174.8 212 -2.3 248 -1.9 0 0.0 0 0.0 14 55
247 A 247 TYR Y S S S+ 0 0 71.1 -40.4 -179.3 106.6 108.2 97.5 276 -2.1 224 -0.5 0 0.0 0 0.0 15 54
248 A 248 GLY G e - 0 0 -66.2 167.1 179.4 -129.3 68.2 94.8 246 -1.9 279 -2.2 0 0.0 250 -0.5 17 68
249 A 249 SER S E E Asv - 227 279 -122.6 110.0 -177.2 -163.6 26.4 163.4 226 -1.3 228 -2.0 0 0.0 0 0.0 13 67
250 A 250 ILE I E E Asv - 228 280 -102.6 134.8 176.6 -169.7 15.5 142.7 279 -3.2 281 -2.9 248 -0.5 252 -0.6 13 74
251 A 251 HIS H E E Asv + 229 281 -120.3 104.9 -178.0 175.4 15.5 160.4 228 -2.5 230 -2.9 0 0.0 253 -0.6 11 67
252 A 252 SER S E E Asv + 230 282 -116.2 106.5 179.9 161.7 8.8 157.0 281 -2.5 283 -2.3 250 -0.6 0 0.0 13 74
253 A 253 PHE F E E Asv + 231 283 -132.3 147.9 -178.8 1.7 55.2 164.4 230 -2.0 232 -0.9 251 -0.6 0 0.0 13 58
254 A 254 ASN N S e S+ 0 0 48.0 54.3 177.6 143.3 85.0 24.0 283 -2.3 232 -1.3 0 0.0 0 0.0 14 59
255 A 255 ASN N e - 0 0 -113.4 163.3 179.2 -127.7 46.9 139.8 0 0.0 286 -2.8 0 0.0 0 0.0 16 71
256 A 256 VAL V E E Btw - 234 286 -118.3 126.5 178.4 -171.3 18.5 165.1 233 -3.2 235 -2.8 0 0.0 258 -0.5 15 64
257 A 257 PHE F E E Btw + 235 287 -116.7 117.5 -179.6 178.7 10.1 167.3 286 -3.4 288 -3.1 0 0.0 0 0.0 13 74
258 A 258 LYS K E E Btw + 236 288 -125.2 128.1 -179.7 117.3 19.6 168.1 235 -2.7 237 -2.3 256 -0.5 0 0.0 11 61
259 A 259 GLY G E E B w - 0 289 -164.8 -172.1 -179.3 -110.9 50.0 158.6 288 -2.7 290 -2.9 0 0.0 0 0.0 13 51
260 A 260 ASP D E E B w> T - 0 290 -142.1 123.6 -179.6 -147.5 11.3 169.0 0 0.0 263 -2.1 0 0.0 268 -1.8 12 40
261 A 261 ALA A T e 3 TS+ 0 0 -65.7 -10.1 179.4 43.4 108.3 53.1 290 -3.0 0 0.0 0 0.0 0 0.0 11 38
262 A 262 LYS K T T 3 TS+ 0 0 -121.2 21.0 178.7 149.3 79.3 85.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
263 A 263 ASP D t < T - 0 0 -55.0 133.5 -179.7 -140.1 45.8 109.2 260 -2.1 0 0.0 0 0.0 0 0.0 10 30
264 A 264 PRO P S S S+ 0 0 -75.2 -12.3 -179.3 20.0 94.7 51.4 0 0.0 0 0.0 0 0.0 0 0.0 5 25
265 A 265 VAL V S S S+ 0 0 -122.0 -47.5 179.7 28.2 135.3 45.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
266 A 266 TYR Y S S S- 0 0 -120.4 70.4 -179.0 -166.5 76.6 127.9 0 0.0 0 0.0 0 0.0 0 0.0 12 46
267 A 267 ARG R - 0 0 -62.4 112.7 -179.2 -115.7 27.8 115.4 0 0.0 0 0.0 0 0.0 0 0.0 13 38
268 A 268 TYR Y + 0 0 -54.3 125.4 179.1 164.6 43.5 104.4 260 -1.8 0 0.0 0 0.0 0 0.0 14 49
269 A 269 GLN Q - 0 0 -107.0 -51.6 179.7 -44.8 61.0 38.4 239 -2.7 0 0.0 0 0.0 0 0.0 9 49
270 A 270 TYR Y - 0 0 -173.0 166.4 179.3 -140.7 34.7 163.4 239 -1.1 0 0.0 0 0.0 0 0.0 12 58
271 A 271 SER S S S S+ 0 0 -104.8 -59.7 -179.6 46.5 85.0 33.6 300 -2.1 242 -3.4 0 0.0 0 0.0 13 73
272 A 272 PHE F E E C x - 0 301 -93.6 126.7 179.0 -164.3 64.5 139.9 300 -2.5 302 -3.4 0 0.0 274 -0.6 14 74
273 A 273 GLY G E E Cux - 244 302 -110.6 120.5 -178.2 -154.2 7.2 160.2 243 -2.2 245 -2.9 0 0.0 275 -1.0 14 57
274 A 274 ILE I E E Cux + 245 303 -99.3 94.0 -179.6 169.9 26.8 139.8 302 -3.2 304 -2.6 272 -0.6 306 -1.8 19 54
275 A 275 GLY G e > T - 0 0 -95.0 -178.6 -179.3 -37.8 45.4 106.9 245 -2.7 278 -2.6 273 -1.0 0 0.0 14 49
276 A 276 THR T T T 3 TS- 0 0 -43.5 119.7 178.8 -15.7 125.0 95.2 0 0.0 247 -2.1 0 0.0 0 0.0 11 43
277 A 277 SER S T T 3 TS+ 0 0 57.0 17.5 179.6 138.4 103.3 50.5 0 0.0 0 0.0 0 0.0 0 0.0 12 48
278 A 278 GLY G e < T - 0 0 -92.9 151.7 179.6 -164.3 34.4 129.4 275 -2.6 308 -0.7 0 0.0 307 -0.6 15 60
279 A 279 SER S E E Avy - 249 308 -136.9 143.5 180.0 -168.4 5.4 173.3 248 -2.2 250 -3.2 0 0.0 0 0.0 16 57
280 A 280 VAL V E E Avy - 250 309 -136.2 128.3 177.1 -165.3 8.7 173.3 308 -1.2 310 -2.2 0 0.0 282 -0.7 14 69
281 A 281 LEU L E E Avy - 251 310 -111.4 106.8 -179.3 -170.2 17.2 161.5 250 -2.9 252 -2.5 0 0.0 0 0.0 12 62
282 A 282 SER S E E Avy + 252 311 -102.0 126.7 -179.6 176.0 7.9 151.1 310 -3.4 312 -2.0 280 -0.7 0 0.0 13 71
283 A 283 GLU E E E Avy - 253 312 -139.0 130.1 178.8 -18.3 58.4 169.7 252 -2.3 254 -2.3 0 0.0 0 0.0 13 55
284 A 284 GLY G S e S+ 0 0 49.4 43.5 178.5 161.7 82.1 31.4 312 -2.9 0 0.0 0 0.0 0 0.0 16 50
285 A 285 ASN N e - 0 0 -92.4 155.0 179.9 -132.3 34.7 128.3 0 0.0 315 -2.3 0 0.0 287 -0.5 15 67
286 A 286 SER S E E Bwz - 256 315 -111.0 122.1 178.7 -172.2 19.0 159.4 255 -2.8 257 -3.4 0 0.0 288 -0.5 14 62
287 A 287 PHE F E E Bwz + 257 316 -116.0 118.2 177.6 175.8 8.6 163.4 315 -3.0 317 -3.1 285 -0.5 289 -0.6 11 68
288 A 288 THR T E E Bw + 258 0 -121.2 91.8 -178.6 166.1 14.5 149.8 257 -3.1 259 -2.7 286 -0.5 290 -0.6 11 55
289 A 289 ILE I E E Bw > T - 259 0 -114.3 108.6 179.1 -139.2 29.4 156.6 287 -0.6 292 -1.2 0 0.0 0 0.0 13 50
290 A 290 ALA A E E Bw 3 TS+ 260 0 -62.8 144.0 178.9 15.7 87.2 109.7 259 -2.9 261 -3.0 288 -0.6 0 0.0 9 38
291 A 291 ASN N T T 3 TS+ 0 0 62.4 29.3 177.1 120.9 95.0 39.3 0 0.0 0 0.0 0 0.0 0 0.0 7 30
292 A 292 LEU L t < T - 0 0 -124.3 116.9 -179.3 -139.6 56.3 169.2 289 -1.2 0 0.0 0 0.0 0 0.0 9 34
293 A 293 SER S g > T - 0 0 -76.5 150.1 179.1 -124.2 17.4 114.9 0 0.0 296 -2.1 0 0.0 0 0.0 6 29
294 A 294 ALA A G G > TS+ 0 0 -63.8 -18.0 179.7 66.9 112.7 45.5 0 0.0 297 -1.0 0 0.0 0 0.0 8 29
295 A 295 SER S G G 3 TS+ 0 0 -77.2 -13.0 -179.6 44.5 103.2 51.2 0 0.0 0 0.0 0 0.0 0 0.0 4 26
296 A 296 LYS K G G X TS+ 0 0 -119.4 29.9 -178.8 129.7 71.1 94.1 293 -2.1 299 -2.2 0 0.0 0 0.0 7 33
297 A 297 ALA A G G X T + 0 0 -56.5 -29.1 -179.9 71.9 61.7 38.8 294 -1.0 300 -1.8 0 0.0 0 0.0 11 48
298 A 298 CYS C G G > TS+ 0 0 -62.4 -15.1 -179.4 81.8 77.2 47.7 0 0.0 301 -1.7 0 0.0 0 0.0 8 48
299 A 299 LYS K G G < TS+ 0 0 -66.9 -11.5 179.3 74.9 72.5 51.2 296 -2.2 0 0.0 0 0.0 0 0.0 8 52
300 A 300 VAL V G e < TS+ 0 0 -73.5 -15.8 179.0 48.9 99.9 47.3 297 -1.8 272 -2.5 0 0.0 271 -2.1 9 68
301 A 301 VAL V E E Cx < TS- 272 0 -126.4 137.0 -178.6 -160.6 73.5 168.1 298 -1.7 0 0.0 0 0.0 0 0.0 10 65
302 A 302 LYS K E E Cx - 273 0 -123.2 129.7 -179.7 -139.8 11.0 166.1 272 -3.4 274 -3.2 0 0.0 0 0.0 11 47
303 A 303 LYS K E E Cx + 274 0 -89.9 128.2 177.4 159.4 29.5 136.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
304 A 304 PHE F S e S- 0 0 -110.6 -116.3 178.7 -41.7 75.8 71.4 274 -2.6 0 0.0 0 0.0 0 0.0 9 40
305 A 305 ASN N S S S+ 0 0 -100.8 12.9 179.3 85.2 118.5 72.7 0 0.0 0 0.0 0 0.0 0 0.0 8 29
306 A 306 GLY G - 0 0 -100.7 -177.0 -179.0 -169.3 52.3 111.8 274 -1.8 0 0.0 0 0.0 0 0.0 12 40
307 A 307 SER S + 0 0 -144.1 -29.9 -176.4 102.5 48.7 57.0 278 -0.6 329 -2.7 0 0.0 309 -0.6 14 40
308 A 308 ILE I E E Aya + 279 329 -77.4 112.2 178.0 132.6 38.4 122.9 278 -0.7 280 -1.2 0 0.0 0 0.0 13 46
309 A 309 PHE F E E Ay + 280 0 -157.8 129.7 178.6 176.3 21.4 157.5 329 -2.6 0 0.0 307 -0.6 0 0.0 13 56
310 A 310 SER S E E Ay - 281 0 -136.6 141.1 177.6 -166.6 7.2 174.3 280 -2.2 282 -3.4 0 0.0 0 0.0 13 50
311 A 311 ASP D E E Ay - 282 0 -129.2 141.9 179.3 -175.3 3.3 170.0 0 0.0 0 0.0 0 0.0 0 0.0 12 53
312 A 312 ASN N E E Ay - 283 0 -138.8 119.9 177.1 -13.6 67.9 167.1 282 -2.0 284 -2.9 0 0.0 0 0.0 8 45
313 A 313 GLY G S S S+ 0 0 69.2 20.2 179.3 150.2 81.7 49.8 0 0.0 344 -0.6 0 0.0 0 0.0 12 40
314 A 314 SER S e - 0 0 -81.9 163.4 -178.9 -146.4 31.2 114.1 0 0.0 321 -2.2 0 0.0 0 0.0 15 52
315 A 315 VAL V E E BzA - 286 320 -132.7 143.0 178.5 -157.9 7.2 168.8 285 -2.3 287 -3.0 0 0.0 0 0.0 13 52
316 A 316 LEU L E E BzA> TS- 287 319 -123.1 121.6 179.9 -20.1 78.1 169.7 319 -3.1 319 -1.7 0 0.0 0 0.0 13 50
317 A 317 ASN N T e 3 TS- 0 0 49.3 46.5 177.9 -44.4 130.6 29.7 287 -3.1 0 0.0 0 0.0 0 0.0 10 40
318 A 318 GLY G T T 3 TS+ 0 0 86.7 -6.8 -179.8 94.5 121.1 69.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
319 A 319 SER S E E BA < TS- 316 0 -124.5 139.9 179.5 -110.2 77.2 163.7 316 -1.7 316 -3.1 0 0.0 0 0.0 6 31
320 A 320 ALA A E E BA - 315 0 -60.3 146.7 179.1 -149.0 35.6 105.1 0 0.0 0 0.0 0 0.0 0 0.0 8 36
321 A 321 VAL V e - 0 0 -122.0 154.5 178.5 -151.2 12.8 151.8 314 -2.2 323 -0.5 0 0.0 0 0.0 10 37
322 A 322 ASP D + 0 0 -123.6 107.5 -178.1 169.7 19.2 163.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
323 A 323 LEU L t > T + 0 0 -101.7 7.2 -179.0 107.3 46.9 70.5 321 -0.5 326 -2.4 0 0.0 0 0.0 9 45
324 A 324 SER S T T 3 TS+ 0 0 -55.8 -27.2 -179.4 51.3 81.1 38.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
325 A 325 GLY G T T 3 TS+ 0 0 -96.3 15.1 -179.3 101.2 77.9 75.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
326 A 326 CYS C S t < TS- 0 0 -77.1 -4.0 178.3 -96.8 102.3 60.3 323 -2.4 0 0.0 0 0.0 0 0.0 6 35
327 A 327 GLY G S S S+ 0 0 99.3 23.5 -180.0 125.6 79.5 44.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
328 A 328 PHE F - 0 0 -115.9 163.3 179.0 -115.9 55.9 138.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
329 A 329 SER S B B a - 308 0 -92.7 152.0 -177.9 -89.8 44.6 129.8 307 -2.7 309 -2.6 0 0.0 0 0.0 8 34
330 A 330 ALA A - 0 0 -66.5 144.2 176.4 -126.6 25.5 103.9 0 0.0 332 -0.8 0 0.0 0 0.0 7 33
331 A 331 TYR Y + 0 0 -87.3 114.6 -177.4 163.2 41.1 145.9 0 0.0 0 0.0 0 0.0 0 0.0 10 40
332 A 332 THR T + 0 0 -110.7 -24.4 179.4 107.7 30.7 46.1 330 -0.8 0 0.0 0 0.0 0 0.0 4 27
333 A 333 SER S S S S- 0 0 -57.1 134.0 -178.7 -116.2 74.9 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 31
334 A 334 LYS K - 0 0 -80.5 132.0 178.3 -120.1 18.6 126.0 0 0.0 0 0.0 0 0.0 0 0.0 4 29
335 A 335 ILE I - 0 0 -69.0 120.8 -179.3 -151.3 22.0 124.9 0 0.0 0 0.0 0 0.0 0 0.0 5 42
336 A 336 PRO P + 0 0 -68.4 -25.8 -179.6 68.3 69.0 45.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
337 A 337 TYR Y S S S- 0 0 -99.6 157.5 178.1 -110.7 85.7 129.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
338 A 338 ILE I + 0 0 -79.7 140.3 179.0 177.6 44.2 128.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
339 A 339 TYR Y - 0 0 -150.5 147.4 -178.5 -131.4 30.3 176.3 0 0.0 341 -0.8 0 0.0 0 0.0 5 34
340 A 340 ASP D - 0 0 -101.9 100.4 178.3 -175.4 21.6 146.2 0 0.0 342 -0.7 0 0.0 0 0.0 4 30
341 A 341 VAL V - 0 0 -97.1 114.8 -179.2 -159.7 13.1 148.8 339 -0.8 0 0.0 0 0.0 0 0.0 8 38
342 A 342 GLN Q - 0 0 -93.1 153.5 179.5 -92.1 29.9 126.9 340 -0.7 0 0.0 0 0.0 0 0.0 6 34
343 A 343 PRO P - 0 0 -62.4 137.5 -178.9 -114.8 45.0 114.5 0 0.0 345 -1.3 0 0.0 0 0.0 7 36
344 A 344 MET M + 0 0 -81.5 94.4 -179.7 164.6 51.0 128.0 313 -0.6 0 0.0 0 0.0 0 0.0 13 43
345 A 345 THR T h > T - 0 0 -102.1 171.8 179.3 -102.1 53.6 120.5 343 -1.3 349 -2.4 0 0.0 0 0.0 6 34
346 A 346 THR T H H > TS+ 0 0 -59.7 -41.7 -179.5 50.0 123.6 25.5 0 0.0 350 -1.9 0 0.0 0 0.0 7 31
347 A 347 GLU E H H > TS+ 0 0 -66.6 -39.0 179.6 49.6 109.3 31.1 0 0.0 351 -2.5 0 0.0 0 0.0 6 26
348 A 348 LEU L H H > TS+ 0 0 -66.7 -45.8 179.5 50.6 110.3 19.6 0 0.0 352 -2.9 0 0.0 0 0.0 9 39
349 A 349 ALA A H H X TS+ 0 0 -57.3 -41.4 179.9 47.8 112.6 26.0 345 -2.4 353 -2.0 0 0.0 0 0.0 12 46
350 A 350 GLN Q H H X TS+ 0 0 -66.4 -44.1 179.8 50.1 110.9 24.2 346 -1.9 354 -2.6 0 0.0 0 0.0 8 35
351 A 351 SER S H H X TS+ 0 0 -60.7 -45.4 179.7 49.7 110.7 22.6 347 -2.5 355 -1.7 0 0.0 0 0.0 8 34
352 A 352 ILE I H H X TS+ 0 0 -59.5 -44.2 180.0 48.3 112.2 23.4 348 -2.9 356 -1.8 0 0.0 0 0.0 14 48
353 A 353 THR T H H < TS+ 0 0 -63.5 -42.4 -179.8 50.5 110.8 25.6 349 -2.0 0 0.0 0 0.0 0 0.0 10 43
354 A 354 ASP D H H < TS+ 0 0 -67.1 -27.7 -177.4 38.7 118.1 38.7 350 -2.6 0 0.0 0 0.0 0 0.0 6 35
355 A 355 ASN N H H < TS+ 0 0 -99.0 -17.0 -177.6 104.5 92.0 51.3 351 -1.7 0 0.0 0 0.0 0 0.0 8 37
356 A 356 ALA A h < T + 0 0 -73.7 144.3 178.2 25.9 63.5 111.8 352 -1.8 0 0.0 0 0.0 0 0.0 15 45
357 A 357 GLY G S t > TS- 0 0 103.0 175.3 -179.8 -42.3 91.8 108.9 200 -2.0 360 -0.7 0 0.0 0 0.0 16 54
358 A 358 SER S T T 3 TS+ 0 0 -77.7 162.1 179.5 40.2 112.4 109.0 0 0.0 0 0.0 0 0.0 0 0.0 18 54
359 A 359 GLY G T T 3 TS+ 0 0 77.7 7.4 -179.4 86.8 96.2 57.3 0 0.0 0 0.0 0 0.0 0 0.0 13 44
360 A 360 LYS K t < T 0 0 -122.4 15.4 179.5 999.9 999.9 80.8 357 -0.7 0 0.0 0 0.0 0 0.0 9 39
361 A 361 LEU L 0 0 -78.5 999.9 999.9 999.9 999.9 116.2 0 0.0 0 0.0 0 0.0 0 0.0 5 47
1jtaA.pdb
1JTA LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGGG SSSGGGSSS TTTT GGGEEEE SHHHHHHHHTTTTS EEEEE SEEETTTT SHHHHHHHSEEE SSEEEEE TT EE Kabs/Sand
chirality -++-++++----++-++++---+--+++--+++---++-+++++++++--+-+----------+--+-----++++++++-----++--+----+++-+ chirality
bends SSSS SSSSSSSSS SSS SSS SSSSSSSSS S SS S SS S SSSSSSSSS SS SS bends
turns TTTTTT TTTTT TTTTTTTTTTT TTTTTTTTTTTTTT TTTTTT TTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >>><<< >>3<< >3><3<>>3<< >>>3><3< >33< 3-turns
bridge-2 bbbbb eeee ff bridge-2
bridge-1 aaaa aaaa ccc ddd bbbbb cc bridge-1
sheets AAAA AAAAA BBB CCC AAAAA BB sheets
4-turns >>>>XX<<<< >>>>X<<<< 4-turns
summary gGGGGg SSgGGGgSS tTTTTtgGGeEEEE hHHHHHHHHhTTTt EEEEEeeEEEeTTTt hHHHHHHHhEEEe SeEEEEEeTTteEE summary
sequence AELVSDKALESAPTVGWASQNGFTTGGAAATSDNIYIVTNISEFTSALSAGAEAKIIQIKGTIDISGGTPYTDFADQKARSQINIPANTTVIGLGTDAKF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand ESSEEEEEGGGT EEEEEES EEE SS EEETTTEEE SEEEETT EEEEEES EEE TTS GGG EETTEE SEEE TT EEEEEES Kabs/Sand
chirality ++----+-++-++++--+-+--------+-----++-+---+--+--++-+-++--+-+--+-+++--+++-----+---+++--+--++-++++--+++ chirality
bends SS SS S SS SSS S SS S SS SSS SSSS SS SS S bends
turns TTTTTT TTTTT TTTT TTTTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33<>>3<< >33< >33< 3-turns
bridge-2 gggg h*hhhh iii kkk l*llll mmm ooo pppp bridge-2
bridge-1 c ddd eeee ff JJJ JJJ gggg h*hhhh iii NN NN kkk l*llll bridge-1
sheets B CCCCC AAAAAA BBB DDD DDD CCCC AAAAAA BBB EE EE CCC AAAAAA sheets
4-turns >444< 4-turns
summary ESSEEEEEeGGgeEEEEEEeeEEEe SS EEETTTEEE eEEEETTeEEEEEEeeEEEeTTtgGGGgeEETTEEe eEEEeTTtEEEEEEe summary
sequence INGSLIIDGTDGTNNVIIRNVYIQTPIDVEPHYEKGDGWNAEWDAMNITNGAHHVWIDHVTISDGNFTDDMYTTKDGETYVQHDGALDIKRGSDYVTISN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEE EEES TTGGGGTT EEEEES EEEEEEE SSEESS EEEEES EEEEETT SSS SEEE TT EEEEES EEEEET GGGGGGG Kabs/Sand
chirality ----+-+++--+--+-+++++++++++--+++--+-+--++-----+---++++--++--++-++--+--+--+--+----+-+--++-++--+++++++ chirality
bends S SS S SS SSSSS S S S SS SS S SS SSS S SS S SS SSS SSS bends
turns TTTTTTTTTT TTTT TTTT TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3>X>33< >33< >33<>>3XX><< 3-turns
bridge-2 qqq*q*q rr sssss ttt uu vvvvv wwwww xxx yyyyy zz bridge-2
bridge-1 mmm ooo pppp qqq*q*q rr sssss ttt uu vvvvv wwwww bridge-1
sheets BBBBBBB CCC AAAAA BBBBBBB CC AAAAA BBBBB CCC AAAAA BBBBB sheets
4-turns 4-turns
summary eEEEEEEEeEEEe tTgGGGGgTteEEEEEeeEEEEEEE SeEEeSeEEEEEeeEEEEEeTtSSS SEEEeTTeEEEEEeeEEEEETtgGGGGGGe summary
sequence SLIDQHDKTMLIGHNDTNSAQDKGKLHVTLFNNVFNRVTERAPRVRYGSIHSFNNVFKGDAKDPVYRYQYSFGIGTSGSVLSEGNSFTIANLSASKACKV sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEESS EEEEES EETTEE TTSS B S S HHHHHHHHHH STT Kabs/Sand
chirality --+-+-+++---+----+---++++-+---++---+-+-----+-+++++++++++-++ chirality
bends S SS S SSSS SSSS S S SSSSSSSSSS SSS bends
turns T TTTT TTTT TTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns < >33< >33< >33< 3-turns
bridge-2 a AA bridge-2
bridge-1 xxx yyyyy zz AA a bridge-1
sheets CCC AAAAA BB BB sheets
4-turns >>>>XXXX<<<< 4-turns
summary EEEeS EEEEESeEEeTEEe tTTtS B S S hHHHHHHHHHHhtTTt summary
sequence VKKFNGSIFSDNGSVLNGSAVDLSGCGFSAYTSKIPYIYDVQPMTTELAQSITDNAGSGKL sequence
310 320 330 340 350 360
Messages
there are 27 strands. Labels have restarted