Secondary structure calculation program - copyright by David Keith Smith, 1989
1ebmA.pdb
1EBM LYASE/DNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 314
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 9 GLY G 0 0 999.9 -59.3 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
2 A 10 SER S + 0 0 -91.9 12.4 -178.8 82.4 999.9 75.6 0 0.0 0 0.0 0 0.0 0 0.0 4 27
3 A 11 GLU E S S S+ 0 0 -118.1 153.6 179.3 11.7 79.9 148.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
4 A 12 GLY G S S S- 0 0 77.3 -179.9 179.8 -23.0 105.7 94.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
5 A 13 HIS H S S S- 0 0 -66.8 131.6 -179.5 -121.9 73.4 116.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
6 A 14 ARG R - 0 0 -74.3 158.3 177.9 -158.5 21.5 107.4 0 0.0 0 0.0 0 0.0 0 0.0 9 47
7 A 15 THR T t > T - 0 0 -133.3 151.9 -178.3 -115.9 29.2 161.9 0 0.0 11 -1.7 0 0.0 0 0.0 8 42
8 A 16 LEU L T T 4 TS+ 0 0 -56.8 -36.4 -179.0 45.0 116.1 31.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
9 A 17 ALA A T T 4 TS+ 0 0 -79.0 -31.0 -177.8 51.8 111.4 36.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
10 A 18 SER S T T 4 TS+ 0 0 -80.5 -29.5 179.9 19.2 124.1 38.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
11 A 19 THR T g < > T + 0 0 -139.6 57.2 -179.7 166.5 69.2 108.2 7 -1.7 14 -2.8 0 0.0 0 0.0 11 32
12 A 20 PRO P G G > TS+ 0 0 -37.9 -47.5 -178.5 60.5 72.7 40.5 0 0.0 15 -1.7 0 0.0 0 0.0 7 29
13 A 21 ALA A G G 3 TS+ 0 0 -66.8 -5.7 -179.2 62.8 97.5 55.7 0 0.0 0 0.0 0 0.0 0 0.0 6 25
14 A 22 LEU L G G < TS+ 0 0 -100.6 3.2 179.6 84.6 88.5 65.4 11 -2.8 0 0.0 0 0.0 0 0.0 10 39
15 A 23 TRP W g < T - 0 0 -111.2 145.9 178.5 -169.7 51.8 146.4 12 -1.7 0 0.0 0 0.0 0 0.0 12 42
16 A 24 ALA A E E AA - 67 0 -127.3 146.0 -178.0 -134.9 18.1 163.3 67 -2.3 67 -2.9 0 0.0 0 0.0 9 41
17 A 25 SER S E E AA - 66 0 -105.6 163.2 178.0 -160.2 10.7 127.5 0 0.0 0 0.0 0 0.0 0 0.0 8 42
18 A 26 ILE I E E AA - 65 0 -138.9 122.3 179.7 -109.6 36.1 170.1 65 -0.9 65 -1.9 0 0.0 0 0.0 9 43
19 A 27 PRO P E E AA + 64 0 -54.6 122.4 -179.4 140.4 61.6 110.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
20 A 28 CYS C e - 0 0 -171.2 106.4 179.9 -143.8 40.5 130.8 63 -2.2 0 0.0 0 0.0 0 0.0 9 39
21 A 29 PRO P t > > T - 0 0 -74.8 149.4 -179.9 -115.9 28.1 116.3 0 0.0 24 -2.5 0 0.0 25 -1.0 10 33
22 A 30 ARG R T T 4 3 TS+ 0 0 -52.5 -33.5 -180.0 64.6 115.7 34.6 62 -1.9 0 0.0 0 0.0 0 0.0 13 37
23 A 31 SER S T T 4 3 TS+ 0 0 -64.5 -19.2 -179.7 44.6 105.6 45.1 0 0.0 118 -1.0 0 0.0 0 0.0 9 38
24 A 32 GLU E T T 4 < TS+ 0 0 -97.9 -19.0 179.7 14.3 129.0 50.2 21 -2.5 0 0.0 0 0.0 0 0.0 13 45
25 A 33 LEU L t < T - 0 0 -163.0 129.6 177.6 -175.2 48.8 154.3 21 -1.0 0 0.0 0 0.0 0 0.0 11 57
26 A 34 ARG R h > > T - 0 0 -125.1 100.4 -178.5 -165.6 10.6 157.0 118 -2.0 29 -1.6 0 0.0 30 -0.8 11 51
27 A 35 LEU L H H > > TS+ 0 0 -53.4 -41.2 -178.7 57.4 88.4 30.3 0 0.0 31 -1.9 0 0.0 30 -0.9 9 60
28 A 36 ASP D H H 4 3 TS+ 0 0 -66.8 -17.7 179.8 46.2 109.3 46.9 0 0.0 0 0.0 0 0.0 0 0.0 7 51
29 A 37 LEU L H H 4 < TS+ 0 0 -101.6 -8.4 -179.8 34.8 120.8 57.6 26 -1.6 0 0.0 0 0.0 0 0.0 11 52
30 A 38 VAL V H H < X>TS+ 0 0 -109.1 -53.1 -176.4 53.2 108.8 35.1 27 -0.9 33 -1.2 26 -0.8 35 -0.5 13 56
31 A 39 LEU L T h < 35TS+ 0 0 -61.0 -32.9 179.9 35.1 116.5 38.4 27 -1.9 0 0.0 0 0.0 0 0.0 11 57
32 A 40 PRO P T T 35TS+ 0 0 -104.1 11.3 -175.9 93.2 94.2 70.0 0 0.0 0 0.0 0 0.0 0 0.0 11 49
33 A 41 SER S T T <5TS- 0 0 -92.1 19.3 178.6 -91.4 105.5 80.0 30 -1.2 0 0.0 0 0.0 0 0.0 10 51
34 A 42 GLY G T T 5TS+ 0 0 84.4 20.3 176.4 100.2 101.7 41.8 0 0.0 0 0.0 0 0.0 0 0.0 8 67
35 A 43 GLN Q S t TS- 46 0 -132.9 144.8 -179.6 -76.6 112.9 166.5 46 -1.2 46 -2.9 0 0.0 0 0.0 8 31
44 A 52 PRO P T T 3 TS- 0 0 -48.1 126.4 -179.7 -1.6 117.1 99.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
45 A 53 ALA A T T 3 TS+ 0 0 68.5 9.2 179.1 106.7 112.2 58.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
46 A 54 HIS H E E AB < T - 43 0 -122.2 116.4 -179.2 -164.7 51.8 164.4 43 -2.9 43 -1.2 0 0.0 0 0.0 11 43
47 A 55 TRP W E E A*C - 0 58 -105.4 127.3 180.0 -168.8 4.9 150.5 58 -3.0 58 -2.7 0 0.0 0 0.0 13 49
48 A 56 SER S E E ABC + 40 57 -115.7 143.9 -179.9 122.5 23.4 153.7 40 -3.0 40 -2.3 0 0.0 0 0.0 13 56
49 A 57 GLY G E E A C - 0 56 -176.3 -179.1 -179.9 -68.4 58.7 167.4 56 -2.0 56 -2.2 0 0.0 0 0.0 11 64
50 A 58 VAL V E E A C + 0 55 -95.6 129.2 -179.2 172.3 44.7 142.1 0 0.0 0 0.0 0 0.0 0 0.0 13 57
51 A 59 LEU L e - 0 0 -139.9 118.0 -179.5 -10.2 69.3 164.2 54 -3.4 0 0.0 0 0.0 0 0.0 10 53
52 A 60 ALA A S S S- 0 0 59.2 53.1 178.8 -50.0 130.8 17.5 0 0.0 0 0.0 0 0.0 0 0.0 5 49
53 A 61 ASP D S S S+ 0 0 61.1 20.9 175.0 78.8 123.9 48.7 0 0.0 0 0.0 0 0.0 0 0.0 6 41
54 A 62 GLN Q S e S- 0 0 -151.7 160.8 -178.0 -97.1 80.9 171.0 0 0.0 51 -3.4 0 0.0 0 0.0 11 47
55 A 63 VAL V E E ACD + 50 70 -82.4 145.1 179.2 176.7 38.6 122.9 70 -0.9 70 -2.1 0 0.0 0 0.0 14 54
56 A 64 TRP W E E ACD - 49 69 -141.8 155.8 175.0 -151.5 21.4 164.4 49 -2.2 49 -2.0 0 0.0 0 0.0 12 62
57 A 65 THR T E E ACD - 48 68 -127.9 134.6 -178.0 -167.6 21.0 173.3 68 -1.6 68 -1.3 0 0.0 0 0.0 13 64
58 A 66 LEU L E E ACD + 47 67 -130.5 140.3 179.7 160.7 14.8 169.2 47 -2.7 47 -3.0 0 0.0 0 0.0 11 64
59 A 67 THR T E E A D - 0 66 -152.0 150.1 -178.9 -144.7 20.5 169.4 66 -2.0 66 -2.9 0 0.0 0 0.0 12 55
60 A 68 GLN Q E E A D - 0 65 -128.4 153.9 177.3 -166.8 10.2 154.7 0 0.0 0 0.0 0 0.0 0 0.0 11 45
61 A 69 THR T e - 0 0 -109.0 -159.2 -178.8 -71.8 57.0 105.2 64 -2.5 0 0.0 0 0.0 0 0.0 8 33
62 A 70 GLU E S S S+ 0 0 -70.3 -41.6 -179.3 8.7 127.4 24.3 0 0.0 22 -1.9 0 0.0 0 0.0 6 24
63 A 71 GLU E S e S+ 0 0 -120.4 5.5 -178.0 70.2 120.3 68.0 0 0.0 20 -2.2 0 0.0 0 0.0 9 24
64 A 72 GLN Q E E AA - 19 0 -132.2 149.0 176.8 -149.6 57.0 159.9 0 0.0 61 -2.5 0 0.0 66 -0.6 12 32
65 A 73 LEU L E E AAD - 18 60 -110.9 109.9 -178.9 -153.4 26.0 161.5 18 -1.9 18 -0.9 0 0.0 0 0.0 13 52
66 A 74 HIS H E E AAD - 17 59 -90.3 132.4 -178.0 -174.6 15.2 137.2 59 -2.9 59 -2.0 64 -0.6 0 0.0 13 50
67 A 75 CYS C E E AAD - 16 58 -128.9 149.7 178.8 -179.6 12.2 158.7 16 -2.9 16 -2.3 0 0.0 0 0.0 14 60
68 A 76 THR T E E A D - 0 57 -146.6 141.7 -178.9 -149.7 13.1 173.2 57 -1.3 57 -1.6 0 0.0 0 0.0 13 58
69 A 77 VAL V E E A D - 0 56 -119.8 143.4 178.5 -154.9 5.7 157.0 0 0.0 71 -0.6 0 0.0 0 0.0 11 54
70 A 78 TYR Y E E A D 0 55 -115.2 105.7 -179.6 999.9 999.9 158.2 55 -2.1 55 -0.9 0 0.0 0 0.0 8 50
71!A 79 ARG R 0 0 -94.6 999.9 999.9 999.9 999.9 126.7 69 -0.6 0 0.0 0 0.0 0 0.0 7 40
72!A 83 SER S 0 0 999.9 8.3 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 15
73 A 84 GLN Q - 0 0 -67.9 132.5 -179.4 -101.3 999.9 118.2 0 0.0 0 0.0 0 0.0 0 0.0 3 16
74 A 85 ALA A + 0 0 -55.8 136.6 178.6 154.7 57.0 103.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
75 A 86 SER S - 0 0 -158.6 164.9 -179.9 -79.6 45.3 168.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
76 A 87 ARG R - 0 0 -66.7 154.0 180.0 -84.9 62.0 105.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
77 A 88 PRO P - 0 0 -61.2 140.7 179.3 -124.9 46.4 109.2 0 0.0 0 0.0 0 0.0 0 0.0 12 39
78 A 89 THR T h > T - 0 0 -83.6 162.7 179.8 -107.2 22.6 114.8 0 0.0 82 -2.9 0 0.0 0 0.0 6 29
79 A 90 PRO P H H > TS+ 0 0 -55.8 -39.4 178.7 51.9 122.5 29.6 0 0.0 83 -1.5 0 0.0 0 0.0 6 23
80 A 91 ASP D H H > TS+ 0 0 -63.3 -44.1 -179.7 45.8 111.9 24.8 0 0.0 84 -0.8 0 0.0 0 0.0 6 23
81 A 92 GLU E H H > > TS+ 0 0 -68.2 -38.6 179.3 55.7 108.7 27.3 0 0.0 85 -0.9 0 0.0 84 -0.9 8 35
82 A 93 LEU L H H X 3 TS+ 0 0 -63.0 -31.5 179.4 60.7 99.9 32.8 78 -2.9 86 -2.0 0 0.0 0 0.0 11 42
83 A 94 GLU E H H X 3 TS+ 0 0 -64.5 -28.9 179.3 61.8 95.7 34.9 79 -1.5 87 -2.3 0 0.0 0 0.0 8 34
84 A 95 ALA A H H X < TS+ 0 0 -62.5 -38.3 179.6 47.3 105.4 27.5 81 -0.9 88 -1.5 80 -0.8 0 0.0 10 37
85 A 96 VAL V H H X TS+ 0 0 -69.3 -45.4 -179.9 51.7 109.2 23.4 81 -0.9 89 -1.9 0 0.0 0 0.0 9 54
86 A 97 ARG R H H < >TS+ 0 0 -59.2 -41.2 179.5 48.9 111.0 24.7 82 -2.0 91 -2.2 0 0.0 0 0.0 10 43
87 A 98 LYS K H H < >5TS+ 0 0 -65.6 -38.4 180.0 54.6 107.5 29.8 83 -2.3 90 -0.7 0 0.0 0 0.0 9 33
88 A 99 TYR Y H H < 35TS+ 0 0 -63.2 -38.5 179.8 36.8 117.0 30.5 84 -1.5 123 -2.6 0 0.0 0 0.0 11 51
89 A 100 PHE F T h < 35TS- 0 0 -96.2 6.1 179.2 -130.3 106.2 72.1 85 -1.9 0 0.0 0 0.0 0 0.0 10 59
90 A 101 GLN Q T T X5T + 0 0 43.2 55.4 -177.5 177.3 36.9 25.2 87 -0.7 93 -1.5 0 0.0 0 0.0 10 46
91 A 102 LEU L T T 3 > T - 0 0 -87.5 109.0 -179.2 -166.5 13.5 139.3 92 -0.5 98 -1.3 0 0.0 97 -0.6 8 33
95 A 106 LEU L H H > 3 TS+ 0 0 -63.3 -32.6 180.0 64.5 85.3 33.6 93 -0.8 99 -3.0 0 0.0 0 0.0 10 46
96 A 107 ALA A H H > 3 TS+ 0 0 -59.4 -38.7 179.0 49.2 102.0 28.5 0 0.0 100 -2.0 0 0.0 0 0.0 8 36
97 A 108 GLN Q H H > < TS+ 0 0 -68.2 -39.4 179.3 47.8 112.6 28.4 94 -0.6 101 -2.1 0 0.0 0 0.0 7 34
98 A 109 LEU L H H X TS+ 0 0 -67.6 -47.1 -180.0 49.4 110.7 20.6 94 -1.3 102 -2.8 0 0.0 0 0.0 8 46
99 A 110 TYR Y H H X TS+ 0 0 -58.3 -42.2 179.1 54.1 109.9 24.2 95 -3.0 103 -3.1 0 0.0 0 0.0 11 45
100 A 111 HIS H H H X TS+ 0 0 -54.8 -57.2 -180.0 43.3 111.8 15.4 96 -2.0 104 -2.3 0 0.0 0 0.0 8 37
101 A 112 HIS H H H X TS+ 0 0 -55.9 -56.2 -179.9 44.4 116.8 18.2 97 -2.1 105 -1.3 0 0.0 0 0.0 8 35
102 A 113 TRP W H H X > TS+ 0 0 -57.2 -43.3 179.8 52.2 113.7 22.8 98 -2.8 106 -0.9 0 0.0 105 -0.6 12 43
103 A 114 GLY G H H < > TS+ 0 0 -59.6 -37.1 -178.7 55.2 106.2 27.6 99 -3.1 106 -0.5 0 0.0 0 0.0 12 35
104 A 115 SER S H H < 3 TS+ 0 0 -67.3 -29.8 -178.2 35.5 115.5 39.6 100 -2.3 0 0.0 0 0.0 0 0.0 8 24
105 A 116 VAL V H H < < TS+ 0 0 -106.7 3.4 -178.3 41.8 123.2 68.6 101 -1.3 0 0.0 102 -0.6 0 0.0 8 28
106 A 117 ASP D h X < T - 0 0 -154.6 96.0 -178.5 -169.9 57.7 136.2 102 -0.9 110 -1.8 103 -0.5 0 0.0 10 35
107 A 118 SER S H H > TS+ 0 0 -60.7 -25.5 179.0 58.7 90.1 41.3 0 0.0 111 -1.6 0 0.0 0 0.0 8 26
108 A 119 HIS H H H > TS+ 0 0 -70.1 -41.7 179.6 49.4 105.0 20.3 0 0.0 112 -2.0 0 0.0 0 0.0 8 35
109 A 120 PHE F H H > TS+ 0 0 -60.3 -39.4 -179.4 56.8 107.2 26.9 0 0.0 113 -3.5 0 0.0 0 0.0 10 48
110 A 121 GLN Q H H X TS+ 0 0 -59.5 -41.0 -179.5 50.1 105.6 25.8 106 -1.8 114 -1.0 0 0.0 0 0.0 12 33
111 A 122 GLU E H H < TS+ 0 0 -63.8 -46.7 -179.9 39.0 117.3 21.4 107 -1.6 0 0.0 0 0.0 0 0.0 8 26
112 A 123 VAL V H H X > TS+ 0 0 -68.6 -45.2 -179.5 60.1 110.4 22.7 108 -2.0 115 -1.7 0 0.0 116 -1.5 10 40
113 A 124 ALA A H H < 3 TS+ 0 0 -56.5 -23.5 179.7 66.1 93.8 45.9 109 -3.5 0 0.0 0 0.0 0 0.0 11 44
114 A 125 GLN Q T h < 3 TS+ 0 0 -70.2 -30.0 -179.3 33.1 111.8 34.1 110 -1.0 0 0.0 0 0.0 0 0.0 7 34
115 A 126 LYS K T T 4 < TS+ 0 0 -100.1 -17.9 -179.9 50.5 119.5 51.3 112 -1.7 0 0.0 0 0.0 0 0.0 6 32
116 A 127 PHE F S t < TS+ 0 0 -124.0 75.3 179.7 162.4 71.4 128.8 112 -1.5 0 0.0 0 0.0 0 0.0 10 45
117 A 128 GLN Q + 0 0 -86.7 163.3 178.0 35.8 53.9 115.5 0 0.0 0 0.0 0 0.0 0 0.0 11 48
118 A 129 GLY G + 0 0 72.7 15.2 178.2 144.4 66.5 51.6 23 -1.0 26 -2.0 0 0.0 120 -1.1 11 56
119 A 130 VAL V + 0 0 -88.7 102.4 179.7 160.9 25.1 139.2 0 0.0 0 0.0 0 0.0 0 0.0 13 60
120 A 131 ARG R - 0 0 -112.1 -178.9 -178.8 -98.3 39.1 123.4 118 -1.1 0 0.0 0 0.0 0 0.0 12 61
121 A 132 LEU L - 0 0 -107.3 135.1 179.0 -136.5 26.3 148.8 0 0.0 0 0.0 0 0.0 0 0.0 11 67
122 A 133 LEU L - 0 0 -84.1 147.5 177.1 -133.6 13.4 125.9 0 0.0 124 -0.8 0 0.0 0 0.0 10 61
123 A 134 ARG R - 0 0 -102.5 104.5 -177.1 -171.3 38.2 153.2 88 -2.6 0 0.0 0 0.0 0 0.0 11 50
124 A 135 GLN Q - 0 0 -99.4 166.9 178.3 -93.8 28.5 118.5 246 -2.8 0 0.0 122 -0.8 0 0.0 10 52
125 A 136 ASP D h > T - 0 0 -75.3 134.5 -179.7 -129.6 34.1 125.2 0 0.0 129 -2.6 0 0.0 0 0.0 7 49
126 A 137 PRO P H H > TS+ 0 0 -52.2 -47.9 -178.7 47.4 104.0 28.0 0 0.0 130 -2.5 0 0.0 0 0.0 11 55
127 A 138 ILE I H H > TS+ 0 0 -64.3 -49.0 -179.9 44.7 114.3 19.8 0 0.0 131 -2.1 0 0.0 0 0.0 9 63
128 A 139 GLU E H H > TS+ 0 0 -61.3 -43.5 -178.9 48.6 115.9 20.8 0 0.0 132 -2.2 0 0.0 0 0.0 10 65
129 A 140 CYS C H H X TS+ 0 0 -64.0 -42.0 -179.4 52.8 109.4 25.4 125 -2.6 133 -2.1 0 0.0 0 0.0 13 67
130 A 141 LEU L H H X TS+ 0 0 -61.3 -50.5 -178.6 36.3 116.1 19.6 126 -2.5 134 -1.1 0 0.0 0 0.0 10 73
131 A 142 PHE F H H X TS+ 0 0 -76.9 -27.8 178.5 56.5 113.6 35.2 127 -2.1 135 -1.2 0 0.0 0 0.0 9 75
132 A 143 SER S H H < TS+ 0 0 -67.4 -45.7 -179.7 42.2 112.6 19.0 128 -2.2 0 0.0 0 0.0 0 0.0 12 71
133 A 144 PHE F H H X TS+ 0 0 -74.7 -19.5 176.0 62.7 105.0 42.4 129 -2.1 137 -0.6 0 0.0 0 0.0 11 67
134 A 145 ILE I H H < > TS+ 0 0 -68.3 -30.5 179.5 49.0 106.1 28.9 130 -1.1 137 -0.5 0 0.0 0 0.0 13 65
135 A 146 CYS C T h < 3 TS+ 0 0 -79.1 -14.5 -177.0 67.0 101.7 49.3 131 -1.2 0 0.0 0 0.0 0 0.0 12 60
136 A 147 SER S T T 4 > T + 0 0 -83.8 -16.4 -177.7 112.5 68.3 50.4 0 0.0 139 -1.1 0 0.0 0 0.0 10 54
137 A 148 SER S T T < < TS- 0 0 -64.7 133.6 177.7 -4.2 93.2 110.4 133 -0.6 0 0.0 134 -0.5 0 0.0 7 47
138 A 149 ASN N T T 3 TS+ 0 0 53.3 45.5 -176.7 103.9 117.7 26.0 0 0.0 0 0.0 0 0.0 0 0.0 4 33
139 A 150 ASN N t < T - 0 0 -147.0 172.0 178.2 -111.2 69.8 152.2 136 -1.1 0 0.0 0 0.0 0 0.0 8 34
140 A 151 ASN N h > T - 0 0 -114.1 147.8 -177.8 -117.5 28.2 151.0 0 0.0 144 -2.9 0 0.0 0 0.0 7 33
141 A 152 ILE I H H > TS+ 0 0 -50.1 -38.2 179.2 56.2 112.7 36.3 0 0.0 145 -2.2 0 0.0 0 0.0 10 38
142 A 153 ALA A H H > TS+ 0 0 -61.1 -50.9 -179.4 38.4 114.3 16.0 0 0.0 146 -1.3 0 0.0 0 0.0 6 32
143 A 154 ARG R H H > TS+ 0 0 -66.4 -45.7 179.0 55.7 113.2 23.5 0 0.0 147 -2.4 0 0.0 0 0.0 8 35
144 A 155 ILE I H H X TS+ 0 0 -52.6 -46.3 -179.7 55.7 104.2 23.1 140 -2.9 148 -2.6 0 0.0 0 0.0 13 45
145 A 156 THR T H H X TS+ 0 0 -55.2 -43.3 179.8 46.5 108.8 25.8 141 -2.2 149 -1.7 0 0.0 0 0.0 10 45
146 A 157 GLY G H H X TS+ 0 0 -65.3 -47.2 179.5 51.1 111.0 20.4 142 -1.3 150 -2.6 0 0.0 0 0.0 8 42
147 A 158 MET M H H X TS+ 0 0 -55.9 -47.4 -179.5 49.2 110.2 24.7 143 -2.4 151 -2.4 0 0.0 0 0.0 12 51
148 A 159 VAL V H H X TS+ 0 0 -63.4 -35.7 179.2 51.1 110.7 31.0 144 -2.6 152 -1.8 0 0.0 0 0.0 12 59
149 A 160 GLU E H H X TS+ 0 0 -67.8 -44.6 180.0 44.9 112.3 23.9 145 -1.7 153 -2.3 0 0.0 0 0.0 9 51
150 A 161 ARG R H H X TS+ 0 0 -68.9 -32.7 179.0 55.6 110.9 30.9 146 -2.6 154 -2.2 0 0.0 0 0.0 9 45
151 A 162 LEU L H H X TS+ 0 0 -66.3 -39.5 179.3 43.0 111.6 26.4 147 -2.4 155 -1.9 0 0.0 0 0.0 12 59
152 A 163 CYS C H H X TS+ 0 0 -74.4 -37.9 179.8 52.0 112.5 29.3 148 -1.8 156 -2.4 0 0.0 0 0.0 13 57
153 A 164 GLN Q H H < TS+ 0 0 -63.8 -41.6 -179.1 42.7 115.5 23.3 149 -2.3 0 0.0 0 0.0 0 0.0 11 40
154 A 165 ALA A H H < TS+ 0 0 -74.3 -38.2 -177.8 13.2 134.2 31.7 150 -2.2 0 0.0 0 0.0 0 0.0 6 42
155 A 166 PHE F H H < TS+ 0 0 -122.8 1.0 -179.7 90.0 105.4 63.8 151 -1.9 0 0.0 0 0.0 0 0.0 11 44
156 A 167 GLY G S h < TS- 0 0 -102.2 158.5 179.9 -89.4 82.3 130.9 152 -2.4 0 0.0 0 0.0 0 0.0 13 42
157 A 168 PRO P e - 0 0 -62.3 136.1 179.3 -116.8 43.2 110.7 0 0.0 169 -3.3 0 0.0 0 0.0 10 33
158 A 169 ARG R E E BE + 168 0 -77.4 125.3 -179.8 174.2 38.3 129.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
159 A 170 LEU L E E B* - 0 0 -97.3 -99.2 178.2 -40.2 45.8 41.3 167 -3.3 0 0.0 0 0.0 0 0.0 10 34
160 A 171 ILE I E E B* - 0 0 -131.8 168.2 -178.4 -123.1 48.1 150.7 0 0.0 167 -2.6 0 0.0 0 0.0 10 38
161 A 172 GLN Q E E BE - 166 0 -117.7 131.2 178.9 -175.2 18.2 160.5 0 0.0 0 0.0 0 0.0 0 0.0 8 30
162 A 173 LEU L E E BE > T - 165 0 -124.9 120.1 -176.5 -41.4 68.8 170.2 165 -2.7 165 -2.4 0 0.0 0 0.0 9 35
163 A 174 ASP D T T 3 TS- 0 0 60.1 -125.6 179.5 -26.8 125.7 118.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
164 A 175 ASP D T T 3 TS+ 0 0 -104.1 17.1 -179.9 101.1 118.1 78.4 0 0.0 166 -0.6 0 0.0 0 0.0 5 19
165 A 176 VAL V E E BE < T - 162 0 -106.6 121.5 177.9 -163.9 53.0 153.5 162 -2.4 162 -2.7 0 0.0 167 -0.6 6 36
166 A 177 THR T E E BE - 161 0 -104.2 116.5 179.8 -144.4 15.9 156.6 164 -0.6 0 0.0 0 0.0 0 0.0 9 38
167 A 178 TYR Y E E B* - 0 0 -83.5 141.1 179.8 -166.6 15.3 126.6 160 -2.6 159 -3.3 165 -0.6 0 0.0 12 46
168 A 179 HIS H E E BE - 158 0 -126.2 146.2 177.1 -121.8 19.7 160.7 0 0.0 0 0.0 0 0.0 0 0.0 12 43
169 A 180 GLY G e - 0 0 -75.9 168.5 179.0 -83.2 49.0 109.7 157 -3.3 0 0.0 0 0.0 0 0.0 12 48
170 A 181 PHE F - 0 0 -74.1 140.5 -179.8 -97.9 55.0 121.0 0 0.0 0 0.0 0 0.0 0 0.0 9 51
171 A 182 PRO P - 0 0 -57.3 150.6 178.9 -121.3 36.6 99.8 0 0.0 0 0.0 0 0.0 0 0.0 12 52
172 A 183 SER S h > T - 0 0 -87.1 168.4 179.0 -109.7 22.7 113.8 0 0.0 176 -2.2 0 0.0 0 0.0 9 44
173 A 184 LEU L H H > TS+ 0 0 -62.5 -47.2 179.7 54.5 119.5 19.4 0 0.0 177 -2.0 0 0.0 0 0.0 11 48
174 A 185 GLN Q H H 4 TS+ 0 0 -54.4 -42.1 -179.1 45.9 110.3 28.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
175 A 186 ALA A H H 4 > TS+ 0 0 -70.2 -43.3 -179.6 48.8 111.9 25.1 0 0.0 178 -1.4 0 0.0 0 0.0 9 41
176 A 187 LEU L H H < 3 TS+ 0 0 -67.8 -23.9 179.6 54.5 110.2 39.6 172 -2.2 0 0.0 0 0.0 0 0.0 12 54
177 A 188 ALA A T h < 3 TS+ 0 0 -88.4 2.3 -178.7 119.5 89.4 65.4 173 -2.0 0 0.0 0 0.0 0 0.0 12 44
178 A 189 GLY G S t X TS- 0 0 -65.6 170.4 179.9 -75.6 74.3 90.6 175 -1.4 181 -1.1 0 0.0 0 0.0 8 31
179 A 190 PRO P T T 3 TS+ 0 0 -70.7 135.1 179.3 2.0 110.4 116.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
180 A 191 GLU E T h > 3 TS+ 0 0 64.2 21.1 179.4 134.7 84.0 46.8 0 0.0 184 -1.6 0 0.0 0 0.0 6 25
181 A 192 VAL V H H > < T + 0 0 -65.1 -41.1 179.8 54.6 69.1 23.9 178 -1.1 185 -2.8 0 0.0 0 0.0 11 40
182 A 193 GLU E H H > TS+ 0 0 -56.7 -52.2 -179.7 48.2 107.4 19.6 0 0.0 186 -2.3 0 0.0 0 0.0 10 41
183 A 194 ALA A H H > TS+ 0 0 -57.2 -39.4 -179.4 50.0 112.6 28.8 0 0.0 187 -1.6 0 0.0 0 0.0 8 28
184 A 195 HIS H H H X TS+ 0 0 -65.1 -48.2 179.9 49.4 110.2 19.5 180 -1.6 188 -0.9 0 0.0 0 0.0 8 35
185 A 196 LEU L H H < >TS+ 0 0 -60.7 -36.5 178.7 56.0 106.5 33.4 181 -2.8 190 -2.0 0 0.0 0 0.0 12 44
186 A 197 ARG R H H < >5TS+ 0 0 -64.0 -41.0 178.4 50.3 106.1 23.4 182 -2.3 189 -1.9 0 0.0 0 0.0 11 32
187 A 198 LYS K H H < 35TS+ 0 0 -67.4 -20.3 179.0 57.2 106.6 43.0 183 -1.6 0 0.0 0 0.0 0 0.0 7 26
188 A 199 LEU L T h < 35TS- 0 0 -90.6 6.1 177.5 -109.4 123.8 72.1 184 -0.9 0 0.0 0 0.0 0 0.0 9 32
189 A 200 GLY G T T <5TS+ 0 0 76.4 27.8 -179.8 135.1 75.2 42.8 186 -1.9 0 0.0 0 0.0 0 0.0 7 33
190 A 201 LEU L t > T - 0 0 61.0 -153.4 -179.4 -18.0 62.6 103.1 0 0.0 194 -2.1 0 0.0 0 0.0 7 34
192 A 203 TYR Y T h > > TS+ 0 0 -60.2 -16.7 -179.9 77.3 126.2 48.4 0 0.0 195 -1.0 0 0.0 196 -1.0 7 33
193 A 204 ARG R H H > < TS+ 0 0 -68.1 -17.0 178.5 76.9 76.3 43.2 190 -1.3 197 -2.2 0 0.0 0 0.0 10 47
194 A 205 ALA A H H > < TS+ 0 0 -56.6 -41.7 179.6 47.8 95.3 26.4 191 -2.1 198 -1.9 0 0.0 0 0.0 13 52
195 A 206 ARG R H H > < TS+ 0 0 -67.1 -40.0 179.8 56.0 107.8 26.7 192 -1.0 199 -3.1 0 0.0 0 0.0 8 40
196 A 207 TYR Y H H X TS+ 0 0 -59.8 -41.3 -179.8 48.4 107.5 28.6 192 -1.0 200 -2.3 0 0.0 0 0.0 11 49
197 A 208 VAL V H H X TS+ 0 0 -65.3 -50.8 179.9 41.5 116.4 17.7 193 -2.2 201 -1.7 0 0.0 0 0.0 14 63
198 A 209 SER S H H X TS+ 0 0 -60.5 -54.7 -179.5 48.4 117.2 12.2 194 -1.9 202 -1.9 0 0.0 0 0.0 13 51
199 A 210 ALA A H H X TS+ 0 0 -55.0 -42.0 -179.8 48.0 112.0 31.9 195 -3.1 203 -2.0 0 0.0 0 0.0 10 45
200 A 211 SER S H H X TS+ 0 0 -72.8 -30.5 179.5 55.6 107.0 35.6 196 -2.3 204 -1.8 0 0.0 0 0.0 11 54
201 A 212 ALA A H H X TS+ 0 0 -66.1 -44.1 -179.5 44.2 111.9 19.3 197 -1.7 205 -2.1 0 0.0 0 0.0 12 54
202 A 213 ARG R H H X TS+ 0 0 -66.9 -42.2 179.9 54.3 109.6 25.7 198 -1.9 206 -4.2 0 0.0 0 0.0 11 40
203 A 214 ALA A H H X >TS+ 0 0 -58.2 -44.2 -179.1 45.2 112.3 22.3 199 -2.0 208 -2.2 0 0.0 207 -2.1 10 37
204 A 215 ILE I H H < 5TS+ 0 0 -65.8 -43.0 -178.7 37.6 121.5 24.7 200 -1.8 210 -2.1 0 0.0 0 0.0 14 42
205 A 216 LEU L H H < 5TS+ 0 0 -76.9 -42.6 -177.7 29.1 129.5 25.2 201 -2.1 0 0.0 0 0.0 0 0.0 13 33
206 A 217 GLU E H H < 5TS+ 0 0 -98.5 -11.7 -179.9 19.9 134.2 53.9 202 -4.2 0 0.0 0 0.0 0 0.0 8 25
207 A 218 GLU E T h < 5TS+ 0 0 -126.9 -32.5 -177.4 45.7 120.5 47.6 203 -2.1 0 0.0 0 0.0 0 0.0 8 24
208 A 219 GLN Q S t T - 0 0 90.2 38.2 178.1 -94.3 59.8 29.7 0 0.0 213 -0.7 0 0.0 0 0.0 9 24
210 A 221 GLY G H H > > TS- 0 0 56.0 -164.2 -179.0 -23.7 76.9 82.5 204 -2.1 213 -1.5 0 0.0 214 -0.8 10 30
211 A 222 LEU L H H > > TS+ 0 0 -47.9 -45.6 -179.1 66.6 126.5 32.7 0 0.0 215 -2.5 0 0.0 214 -0.8 9 37
212 A 223 ALA A H H > 3 TS+ 0 0 -49.2 -38.1 179.9 58.2 95.6 34.1 0 0.0 216 -2.1 0 0.0 0 0.0 7 29
213 A 224 TRP W H H X < TS+ 0 0 -60.2 -44.9 -179.7 41.7 110.4 24.6 210 -1.5 217 -0.7 209 -0.7 0 0.0 10 38
214 A 225 LEU L H H < X TS+ 0 0 -67.9 -52.9 -179.1 49.3 115.2 15.4 210 -0.8 217 -1.2 211 -0.8 0 0.0 11 50
215 A 226 GLN Q H H < > TS+ 0 0 -57.6 -33.0 -179.2 61.3 103.0 37.1 211 -2.5 218 -1.2 0 0.0 0 0.0 8 39
216 A 227 GLN Q H H X > TS+ 0 0 -66.3 -26.9 -179.7 76.0 87.1 38.6 212 -2.1 219 -2.2 0 0.0 220 -0.8 8 31
217 A 228 LEU L T h < < TS+ 0 0 -56.2 -26.0 -179.4 71.9 78.8 41.7 214 -1.2 0 0.0 213 -0.7 0 0.0 11 44
218 A 229 ARG R T T 4 < TS+ 0 0 -65.2 -21.2 178.9 41.3 103.2 42.8 215 -1.2 0 0.0 0 0.0 0 0.0 12 39
219 A 230 GLU E T T 4 < TS+ 0 0 -97.6 -17.0 179.2 87.7 103.3 52.1 216 -2.2 0 0.0 0 0.0 0 0.0 5 25
220 A 231 SER S S t < TS- 0 0 -74.0 172.2 -179.7 -89.3 89.8 100.6 216 -0.8 0 0.0 0 0.0 0 0.0 8 30
221 A 232 SER S h > T - 0 0 -84.7 153.8 179.2 -113.7 30.9 120.6 0 0.0 225 -3.7 0 0.0 0 0.0 9 29
222 A 233 TYR Y H H > TS+ 0 0 -48.2 -51.1 179.9 51.0 119.9 22.1 0 0.0 226 -3.1 0 0.0 0 0.0 9 43
223 A 234 GLU E H H > TS+ 0 0 -53.2 -48.7 180.0 42.3 115.1 24.1 0 0.0 227 -1.6 0 0.0 0 0.0 6 36
224 A 235 GLU E H H > TS+ 0 0 -63.8 -54.0 -179.3 48.6 115.5 15.5 0 0.0 228 -2.8 0 0.0 0 0.0 9 29
225 A 236 ALA A H H X TS+ 0 0 -52.4 -55.9 -179.6 47.3 111.8 20.4 221 -3.7 229 -2.5 0 0.0 0 0.0 12 44
226 A 237 HIS H H H X TS+ 0 0 -54.9 -39.9 179.7 51.6 113.2 27.1 222 -3.1 230 -1.8 0 0.0 0 0.0 12 51
227 A 238 LYS K H H < TS+ 0 0 -61.9 -48.1 -179.8 49.4 109.2 21.1 223 -1.6 0 0.0 0 0.0 0 0.0 8 36
228 A 239 ALA A H H < > TS+ 0 0 -59.9 -43.1 -179.7 50.0 110.5 27.8 224 -2.8 231 -0.9 0 0.0 0 0.0 7 45
229 A 240 LEU L H H < > TS+ 0 0 -67.7 -37.1 -179.4 70.9 93.7 31.9 225 -2.5 232 -1.4 0 0.0 0 0.0 9 59
230 A 241 CYS C T h < 3 TS+ 0 0 -55.9 -15.1 179.7 68.8 88.5 47.6 226 -1.8 0 0.0 0 0.0 0 0.0 11 40
231 A 242 ILE I T T < TS+ 0 0 -69.6 -41.5 -178.9 91.6 80.5 28.0 228 -0.9 0 0.0 0 0.0 0 0.0 7 39
232 A 243 LEU L S t X TS- 0 0 -61.0 137.7 179.8 -100.3 89.4 105.1 229 -1.4 235 -1.8 0 0.0 0 0.0 9 54
233 A 244 PRO P T T 3 TS+ 0 0 -59.3 137.5 -179.7 18.2 107.2 107.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
234 A 245 GLY G T T 3 TS+ 0 0 80.8 -3.0 179.8 116.3 99.5 65.8 0 0.0 236 -0.6 0 0.0 0 0.0 9 43
235 A 246 VAL V t < T + 0 0 -105.7 118.4 178.7 161.6 35.5 152.5 232 -1.8 0 0.0 0 0.0 0 0.0 12 50
236 A 247 GLY G h > T - 0 0 -114.6 -164.0 -179.6 -69.8 58.1 112.1 234 -0.6 240 -2.3 0 0.0 0 0.0 7 43
237 A 248 THR T H H > TS+ 0 0 -58.3 -41.6 -178.2 44.1 130.7 28.0 0 0.0 241 -1.6 0 0.0 0 0.0 10 47
238 A 249 GLN Q H H > TS+ 0 0 -72.5 -48.4 179.7 46.9 113.4 20.1 0 0.0 242 -2.4 0 0.0 0 0.0 10 63
239 A 250 VAL V H H > TS+ 0 0 -59.6 -43.1 179.7 53.1 112.2 22.1 0 0.0 243 -2.2 0 0.0 0 0.0 13 59
240 A 251 ALA A H H X TS+ 0 0 -58.7 -44.3 178.8 48.1 109.3 26.5 236 -2.3 244 -2.5 0 0.0 0 0.0 12 60
241 A 252 ASP D H H X TS+ 0 0 -64.2 -42.0 178.5 55.7 107.7 25.2 237 -1.6 245 -2.8 0 0.0 0 0.0 12 68
242 A 253 CYS C H H X TS+ 0 0 -55.0 -47.1 -179.8 43.6 111.9 21.4 238 -2.4 246 -2.7 0 0.0 0 0.0 13 70
243 A 254 ILE I H H X >TS+ 0 0 -66.3 -44.2 179.7 51.8 112.3 24.0 239 -2.2 247 -2.7 0 0.0 248 -1.1 13 67
244 A 255 CYS C H H X 5TS+ 0 0 -58.1 -46.3 -179.2 39.8 117.2 22.1 240 -2.5 250 -2.3 0 0.0 248 -0.8 15 65
245 A 256 LEU L H H < 5TS+ 0 0 -70.6 -45.4 -176.4 31.2 126.6 24.4 241 -2.8 0 0.0 0 0.0 0 0.0 14 65
246 A 257 MET M H H < 5TS+ 0 0 -93.1 -17.0 -178.9 18.8 134.6 46.8 242 -2.7 124 -2.8 0 0.0 0 0.0 14 62
247 A 258 ALA A H H < 5TS+ 0 0 -129.5 -11.2 -177.9 46.6 122.3 56.9 243 -2.7 0 0.0 0 0.0 0 0.0 13 59
248 A 259 LEU L S h < T + 0 0 -110.9 78.3 -179.5 176.8 21.3 136.1 244 -2.3 253 -2.1 0 0.0 0 0.0 11 52
251 A 262 PRO P T T 3 TS+ 0 0 -59.0 -13.0 179.2 58.7 74.9 54.0 0 0.0 301 -2.0 0 0.0 302 -0.8 11 54
252 A 263 GLN Q T T 3 TS+ 0 0 -94.7 -6.8 -179.7 112.7 78.0 59.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
253 A 264 ALA A t < T - 0 0 -68.9 132.3 -179.0 -164.1 50.7 120.1 250 -2.1 0 0.0 0 0.0 0 0.0 13 59
254 A 265 VAL V - 0 0 -124.7 103.4 -180.0 -146.3 9.2 154.0 0 0.0 0 0.0 0 0.0 0 0.0 13 60
255 A 266 PRO P - 0 0 -67.1 136.4 179.4 -153.8 11.3 115.0 0 0.0 257 -0.6 0 0.0 0 0.0 13 71
256 A 267 VAL V + 0 0 -119.2 104.5 -179.8 147.3 30.3 155.2 0 0.0 0 0.0 0 0.0 0 0.0 11 61
257 A 268 ASP D h > T - 0 0 -115.7 -167.1 179.4 -75.3 67.3 113.7 255 -0.6 261 -1.6 0 0.0 0 0.0 7 52
258 A 269 VAL V H H > TS+ 0 0 -63.0 -39.0 180.0 55.0 129.2 26.8 0 0.0 262 -2.1 0 0.0 0 0.0 6 40
259 A 270 HIS H H H > TS+ 0 0 -60.5 -50.4 -179.8 44.6 108.8 21.5 0 0.0 263 -2.1 0 0.0 0 0.0 9 45
260 A 271 MET M H H > TS+ 0 0 -67.2 -28.3 178.7 55.5 110.8 36.7 0 0.0 264 -2.4 0 0.0 0 0.0 11 56
261 A 272 TRP W H H X TS+ 0 0 -67.6 -45.1 -179.5 45.5 109.8 20.7 257 -1.6 265 -2.4 0 0.0 0 0.0 11 41
262 A 273 HIS H H H X TS+ 0 0 -64.3 -40.0 179.6 51.8 112.5 28.0 258 -2.1 266 -2.7 0 0.0 0 0.0 8 33
263 A 274 ILE I H H X TS+ 0 0 -62.4 -46.2 179.5 49.1 109.6 21.2 259 -2.1 267 -2.5 0 0.0 0 0.0 10 43
264 A 275 ALA A H H X TS+ 0 0 -57.7 -49.4 -179.3 46.3 114.6 20.1 260 -2.4 270 -2.0 0 0.0 268 -1.3 11 49
265 A 276 GLN Q H H X TS+ 0 0 -62.1 -51.1 -177.8 29.2 122.7 21.9 261 -2.4 269 -0.6 0 0.0 0 0.0 10 31
266 A 277 ARG R H H < TS+ 0 0 -86.3 -26.6 -178.5 39.4 126.9 37.1 262 -2.7 0 0.0 0 0.0 0 0.0 8 22
267 A 278 ASP D H H < TS+ 0 0 -100.2 -9.5 179.1 19.2 133.0 54.3 263 -2.5 0 0.0 0 0.0 0 0.0 8 31
268 A 279 TYR Y H H < TS- 0 0 -135.6 -0.3 -179.7 -126.8 91.9 70.3 264 -1.3 0 0.0 0 0.0 0 0.0 7 31
269 A 280 SER S h < T + 0 0 53.7 32.3 -178.4 176.1 50.6 36.1 265 -0.6 0 0.0 0 0.0 0 0.0 7 22
270 A 281 TRP W + 0 0 -72.4 148.4 178.5 174.3 15.2 109.6 264 -2.0 0 0.0 0 0.0 0 0.0 8 35
271 A 282 HIS H - 0 0 -150.5 148.0 179.9 -94.8 38.3 170.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
272 A 283 PRO P + 0 0 -64.8 142.8 179.3 168.0 40.2 111.2 0 0.0 0 0.0 0 0.0 0 0.0 11 32
273 A 284 THR T S S S+ 0 0 -123.3 -40.3 179.3 36.3 78.7 50.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
274 A 285 THR T S S S+ 0 0 -85.8 -23.6 -179.0 85.3 107.5 44.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
275 A 286 SER S S S S- 0 0 -80.8 156.0 -179.7 -142.6 71.2 113.6 0 0.0 0 0.0 0 0.0 0 0.0 9 21
276 A 287 GLN Q S S S+ 0 0 -78.4 -62.1 -178.8 65.0 78.4 14.5 0 0.0 0 0.0 0 0.0 0 0.0 8 17
277 A 288 ALA A - 0 0 -63.0 160.7 179.7 -143.3 68.5 95.3 0 0.0 0 0.0 0 0.0 0 0.0 8 19
278 A 289 LYS K S S S+ 0 0 -104.2 -1.1 179.7 50.7 84.2 68.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23
279 A 290 GLY G S S S- 0 0 -125.7 -176.4 180.0 -47.7 108.3 130.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
280 A 291 PRO P + 0 0 -58.1 131.0 179.8 143.5 68.2 107.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
281 A 292 SER S h > T - 0 0 -159.3 161.7 -179.9 -95.5 66.3 162.4 0 0.0 285 -2.9 0 0.0 0 0.0 7 27
282 A 293 PRO P H H > TS+ 0 0 -56.8 -28.6 179.8 46.5 126.6 32.7 0 0.0 286 -1.2 0 0.0 0 0.0 7 34
283 A 294 GLN Q H H > TS+ 0 0 -78.0 -47.0 179.9 43.2 114.7 22.8 0 0.0 287 -1.9 0 0.0 0 0.0 9 27
284 A 295 THR T H H > TS+ 0 0 -68.1 -35.0 179.3 54.9 112.1 31.4 0 0.0 288 -2.8 0 0.0 0 0.0 15 34
285 A 296 ASN N H H X TS+ 0 0 -64.0 -42.9 179.8 48.7 108.3 22.8 281 -2.9 289 -1.8 0 0.0 0 0.0 10 43
286 A 297 LYS K H H X TS+ 0 0 -64.0 -39.5 -179.9 49.9 111.7 25.1 282 -1.2 290 -1.6 0 0.0 0 0.0 8 47
287 A 298 GLU E H H X TS+ 0 0 -64.7 -46.2 179.5 54.2 106.4 19.5 283 -1.9 291 -2.5 0 0.0 0 0.0 11 39
288 A 299 LEU L H H X TS+ 0 0 -54.3 -39.9 179.6 55.2 106.1 28.0 284 -2.8 292 -2.4 0 0.0 0 0.0 12 51
289 A 300 GLY G H H X TS+ 0 0 -60.6 -45.2 179.1 45.3 108.7 23.6 285 -1.8 293 -2.1 0 0.0 0 0.0 12 60
290 A 301 ASN N H H X TS+ 0 0 -66.3 -36.5 178.4 58.6 108.5 29.2 286 -1.6 294 -2.9 0 0.0 0 0.0 8 41
291 A 302 PHE F H H X TS+ 0 0 -56.5 -52.0 -179.5 43.3 109.3 16.1 287 -2.5 295 -1.4 0 0.0 0 0.0 8 41
292 A 303 PHE F H H X TS+ 0 0 -63.5 -35.7 179.0 53.8 112.6 28.6 288 -2.4 296 -2.7 0 0.0 0 0.0 11 53
293 A 304 ARG R H H X TS+ 0 0 -65.5 -40.6 -179.4 45.8 109.9 24.7 289 -2.1 297 -2.1 0 0.0 0 0.0 13 40
294 A 305 SER S H H < TS+ 0 0 -75.6 -18.2 179.1 50.1 115.2 42.6 290 -2.9 0 0.0 0 0.0 0 0.0 7 30
295 A 306 LEU L H H < TS+ 0 0 -82.7 -47.1 -177.4 18.6 126.4 23.3 291 -1.4 0 0.0 0 0.0 0 0.0 9 42
296 A 307 TRP W H H < TS- 0 0 -101.9 -19.3 179.3 -144.4 96.2 49.3 292 -2.7 0 0.0 0 0.0 0 0.0 12 41
297 A 308 GLY G h < > T - 0 0 97.5 -158.1 -179.5 -9.8 55.9 125.2 293 -2.1 300 -1.5 0 0.0 0 0.0 9 34
298 A 309 PRO P T T 3 TS+ 0 0 -53.3 -36.2 180.0 44.1 135.7 42.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
299 A 310 TYR Y T h > > TS+ 0 0 -104.9 33.5 -179.4 129.5 73.7 95.2 0 0.0 303 -1.5 0 0.0 302 -0.8 9 52
300 A 311 ALA A H H > < T + 0 0 -56.3 -36.5 179.6 59.4 67.4 34.8 297 -1.5 304 -2.2 0 0.0 0 0.0 15 52
301 A 312 GLY G H H > 3 TS+ 0 0 -63.0 -35.9 178.8 50.8 103.9 30.3 251 -2.0 305 -1.8 0 0.0 0 0.0 13 60
302 A 313 TRP W H H > < TS+ 0 0 -68.7 -38.4 178.5 50.3 108.8 28.4 299 -0.8 306 -1.1 251 -0.8 0 0.0 11 68
303 A 314 ALA A H H X TS+ 0 0 -65.0 -37.1 178.2 55.5 107.8 26.9 299 -1.5 307 -1.8 0 0.0 0 0.0 11 69
304 A 315 GLN Q H H X TS+ 0 0 -58.4 -43.5 -179.2 57.6 101.3 24.6 300 -2.2 308 -2.6 0 0.0 0 0.0 11 72
305 A 316 ALA A H H X TS+ 0 0 -58.5 -33.4 179.8 52.8 104.6 35.4 301 -1.8 309 -1.9 0 0.0 0 0.0 11 70
306 A 317 VAL V H H X TS+ 0 0 -70.0 -51.8 -179.7 40.8 112.5 16.3 302 -1.1 310 -2.5 0 0.0 0 0.0 12 67
307 A 318 LEU L H H X TS+ 0 0 -66.4 -33.2 179.5 53.8 114.4 31.2 303 -1.8 311 -2.6 0 0.0 0 0.0 10 58
308 A 319 PHE F H H X TS+ 0 0 -64.6 -48.6 179.0 45.8 110.7 18.3 304 -2.6 312 -1.3 0 0.0 0 0.0 10 57
309 A 320 SER S H H X > TS+ 0 0 -59.0 -46.7 179.2 48.7 114.5 21.1 305 -1.9 313 -0.9 0 0.0 312 -0.5 12 49
310 A 321 ALA A H H < > TS+ 0 0 -62.7 -38.0 179.8 55.1 107.3 28.6 306 -2.5 313 -0.6 0 0.0 0 0.0 10 42
311 A 322 ASP D H H < 3 TS+ 0 0 -68.2 -24.5 178.6 61.9 99.0 38.6 307 -2.6 0 0.0 0 0.0 0 0.0 9 40
312 A 323 LEU L H H < < TS+ 0 0 -67.5 -32.3 178.7 73.7 89.5 31.5 308 -1.3 314 -2.0 309 -0.5 0 0.0 7 32
313 A 324 ARG R h < < T 0 0 -81.7 74.3 179.9 999.9 999.9 123.0 309 -0.9 0 0.0 310 -0.6 0 0.0 5 28
314 A 325 GLN Q 0 0 176.2 999.9 999.9 999.9 999.9 155.9 312 -2.0 0 0.0 0 0.0 0 0.0 4 17
1ebmA.pdb
1EBM LYASE/DNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS TTT GGG EEEE TTT HHHHTTTTS S EEEETTEEEEE SSSEEEEEE SSEEEEEEE HHHHHHHHHHTTTTS HHHHHH Kabs/Sand
chirality ++----+++++++----+--+++--++++++-++-++--++--+--+-+--+-+--+---++------ -+----++++++++++-+++--++++++ chirality
bends SSS SSS SSS SSS SSSSSSSSS S SSSS SSS SS SSSSSSSSSSS SS SSSSSS bends
turns TTTTTTTTT TTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >>333< >33< >33X33<>33< 3-turns
bridge-2 CCCC DDDDDD DDDDDD bridge-2
bridge-1 AAAA B**B B*B CCCC AAAA bridge-1
sheets AAAA AAAA AAAAA AAAAAA AAAAAAA sheets
4-turns >444< >444<>>44<< >>>>XXXX<<<< >>>>XXX 4-turns
summary SSS tTTTgGGGgEEEEetTTTthHHHHhTTTt S EEEETTEEEEEeSSeEEEEEEeSeEEEEEEE hHHHHHHHHHHhTTTthHHHHHH summary
sequence GSEGHRTLASTPALWASIPCPRSELRLDLVLPSGQSFRWREQSPAHWSGVLADQVWTLTQTEEQLHCTVYRSQASRPTPDELEAVRKYFQLDVTLAQLYH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHH HHHHHHHTTS HHHHHHHHHTTTT HHHHHHHHHHHHHHHS EEEEETTEEEE HHHHTSTTHHHHHHHTT TTHHHHHHHH Kabs/Sand
chirality +++++-+++++++++++++------+++++++++++-+--+++++++++++++++--+-----+--------+++++-+++++++++-+--+++++++++ chirality
bends SSSSS SSSSSSSSSS SSSSSSSSSS SS SSSSSSSSSSSSSSSS SS SSSSSSSS SSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >3><3< >33< >33X33< >33<>>><<< 3-turns
bridge-2 bridge-2
bridge-1 E**EE EE*E bridge-1
sheets BBBBB BBBB sheets
4-turns XX<<>>X>>>XXX>>>XXXXXXXXX<<<< >>44<< >>>>X<<<< >>>>XXXXX 4-turns
summary HHHHHhHHHHHHHhTt hHHHHHHHHHhTTTthHHHHHHHHHHHHHHHheEEEEETTEEEEe hHHHHhtThHHHHHHHhTtThHHHHHHHH summary
sequence HWGSVDSHFQEVAQKFQGVRLLRQDPIECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPSLQALAGPEVEAHLRKLGLGYRARYVSAS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHTS HHHHHHHTTTS HHHHHHHHTTSTT HHHHHHHHHHHS TT HHHHHHHHHHH SSSS SS HHHHHHHHHHHHHHH TTH Kabs/Sand
chirality +++++++---+++++++++--++++++++++-+++-+++++++++++-++++---+-++++++++++-++-+++-+-+-+-++++++++++++++--+++ chirality
bends SSSSSSSS SSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSS SS SSSSSSSSSSS SSSS SS SSSSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3><<< >>333< >3>< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXX<<<< >>>>X<>>>XX<<<< >>>>XXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< >> 4-turns
summary HHHHHHhthHHHHHHHhTTthHHHHHHHHhTtTTthHHHHHHHHHHHh tTTt hHHHHHHHHHHHh SSSS SS hHHHHHHHHHHHHHHHhThH summary
sequence ARAILEEQGGLAWLQQLRESSYEEAHKALCILPGVGTQVADCICLMALDKPQAVPVDVHMWHIAQRDYSWHPTTSQAKGPSPQTNKELGNFFRSLWGPYA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHH Kabs/Sand
chirality ++++++++++++ chirality
bends SSSSSSSSSSSS bends
turns TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>XXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHh summary
sequence GWAQAVLFSADLRQ sequence
310
Messages
chain break between 71(A 79 ) and 72(A 83 )