Secondary structure calculation program - copyright by David Keith Smith, 1989
1bg0-.pdb
1BG0 KINASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 356
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 2 VAL V 0 0 999.9 151.4 -179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
2 3 ASP D h > T - 0 0 -66.1 168.5 -176.6 -119.7 999.9 99.0 0 0.0 6 -1.3 0 0.0 0 0.0 5 21
3 4 GLN Q H H > TS+ 0 0 -84.9 -20.0 179.6 63.1 109.9 46.3 0 0.0 7 -2.0 0 0.0 0 0.0 6 18
4 5 ALA A H H > TS+ 0 0 -68.1 -43.7 179.6 42.8 107.1 23.6 0 0.0 8 -2.2 0 0.0 0 0.0 6 21
5 6 THR T H H > TS+ 0 0 -67.1 -42.0 179.1 54.0 112.3 25.2 0 0.0 9 -3.2 0 0.0 0 0.0 9 29
6 7 LEU L H H X TS+ 0 0 -59.2 -38.4 179.5 47.3 110.4 29.0 2 -1.3 10 -2.3 0 0.0 0 0.0 11 31
7 8 ASP D H H X TS+ 0 0 -70.9 -38.6 178.8 47.9 113.0 28.5 3 -2.0 11 -2.0 0 0.0 0 0.0 8 25
8 9 LYS K H H X TS+ 0 0 -68.4 -35.9 179.5 51.4 112.0 28.9 4 -2.2 12 -2.5 0 0.0 0 0.0 9 31
9 10 LEU L H H X TS+ 0 0 -66.6 -46.0 179.4 48.2 109.2 22.9 5 -3.2 13 -2.6 0 0.0 0 0.0 11 45
10 11 GLU E H H X TS+ 0 0 -61.3 -40.6 179.7 49.3 113.2 24.9 6 -2.3 14 -1.9 0 0.0 0 0.0 8 39
11 12 ALA A H H X TS+ 0 0 -64.7 -43.4 179.7 49.3 111.1 23.8 7 -2.0 15 -2.2 0 0.0 0 0.0 8 31
12 13 GLY G H H X TS+ 0 0 -63.5 -41.6 179.6 52.8 108.1 26.7 8 -2.5 16 -2.2 0 0.0 0 0.0 10 46
13 14 PHE F H H X TS+ 0 0 -60.2 -41.5 -179.7 48.5 110.7 23.6 9 -2.6 17 -2.1 0 0.0 0 0.0 10 48
14 15 LYS K H H X TS+ 0 0 -65.4 -41.1 179.5 54.0 108.0 26.2 10 -1.9 18 -2.8 0 0.0 0 0.0 8 34
15 16 LYS K H H X TS+ 0 0 -59.9 -41.5 179.7 49.4 109.1 25.6 11 -2.2 19 -1.3 0 0.0 0 0.0 9 36
16 17 LEU L H H < TS+ 0 0 -65.0 -42.3 -179.9 47.5 112.2 25.3 12 -2.2 0 0.0 0 0.0 0 0.0 11 41
17 18 GLN Q H H < TS+ 0 0 -66.1 -41.8 -179.1 49.8 111.7 25.2 13 -2.1 0 0.0 0 0.0 0 0.0 8 33
18 19 GLU E H H < TS+ 0 0 -70.8 -22.2 179.1 88.4 88.7 44.0 14 -2.8 20 -1.8 0 0.0 0 0.0 6 26
19 20 ALA A h < > T + 0 0 -80.3 85.7 -178.4 178.3 57.8 126.3 15 -1.3 22 -1.4 0 0.0 0 0.0 8 28
20 21 SER S T T 3 TS+ 0 0 -58.4 -39.2 -178.6 43.5 75.4 35.5 18 -1.8 0 0.0 0 0.0 0 0.0 5 21
21 22 ASP D T T 3 TS+ 0 0 -95.9 14.9 179.0 123.7 81.4 76.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
22 23 CYS C t < T - 0 0 -77.3 124.9 -178.7 -175.7 36.7 129.9 19 -1.4 0 0.0 0 0.0 0 0.0 9 29
23 24 LYS K + 0 0 -108.6 19.2 -179.4 131.7 33.1 80.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
24 25 SER S h > T - 0 0 -71.7 153.9 179.0 -125.7 64.3 109.0 0 0.0 28 -1.9 0 0.0 0 0.0 13 46
25 26 LEU L H H > TS+ 0 0 -67.1 -27.7 179.2 63.5 109.6 37.6 63 -1.7 29 -2.6 0 0.0 0 0.0 11 47
26 27 LEU L H H > TS+ 0 0 -59.4 -56.7 179.7 42.0 105.5 13.0 64 -1.5 30 -2.7 0 0.0 0 0.0 13 63
27 28 LYS K H H 4 TS+ 0 0 -56.4 -45.4 -179.3 52.1 115.5 22.5 0 0.0 0 0.0 0 0.0 0 0.0 11 52
28 29 LYS K H H < TS+ 0 0 -60.9 -40.9 -177.9 28.4 121.6 29.8 24 -1.9 0 0.0 0 0.0 0 0.0 8 43
29 30 HIS H H H < TS+ 0 0 -101.0 -13.1 179.3 90.6 94.1 52.4 25 -2.6 31 -2.0 0 0.0 0 0.0 10 43
30 31 LEU L h < T + 0 0 -84.6 74.6 179.2 173.6 59.9 121.9 26 -2.7 0 0.0 0 0.0 0 0.0 10 54
31 32 THR T h > T - 0 0 -75.3 161.8 179.6 -106.8 48.3 111.8 29 -2.0 35 -3.3 0 0.0 0 0.0 8 35
32 33 LYS K H H > TS+ 0 0 -56.9 -36.8 179.9 55.2 123.0 28.4 0 0.0 36 -2.9 0 0.0 0 0.0 6 29
33 34 ASP D H H > TS+ 0 0 -60.9 -50.2 179.2 40.9 111.9 20.3 0 0.0 37 -1.6 0 0.0 0 0.0 7 26
34 35 VAL V H H > TS+ 0 0 -64.1 -45.0 179.9 54.4 114.4 20.9 0 0.0 38 -1.0 0 0.0 0 0.0 11 36
35 36 PHE F H H X > TS+ 0 0 -54.1 -53.5 -179.6 46.3 109.0 20.9 31 -3.3 39 -1.9 0 0.0 38 -1.0 10 49
36 37 ASP D H H < 3 TS+ 0 0 -61.1 -33.9 -178.7 58.3 107.8 33.9 32 -2.9 0 0.0 0 0.0 0 0.0 8 33
37 38 SER S H H < 3 TS+ 0 0 -71.9 -20.0 -178.1 20.6 122.2 44.6 33 -1.6 0 0.0 0 0.0 0 0.0 8 30
38 39 ILE I H H < X TS+ 0 0 -129.8 -1.1 -179.4 91.9 93.9 62.7 34 -1.0 41 -1.3 35 -1.0 0 0.0 11 43
39 40 LYS K T h < 3 TS+ 0 0 -68.3 -21.7 -180.0 48.8 92.4 41.0 35 -1.9 0 0.0 0 0.0 0 0.0 10 45
40 41 ASN N T T 3 TS+ 0 0 -97.1 3.5 -179.1 104.7 93.5 67.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
41 42 LYS K t < T - 0 0 -89.6 151.2 -179.7 -176.9 44.8 124.7 38 -1.3 49 -0.6 0 0.0 0 0.0 10 40
42 43 LYS K B B A - 48 0 -146.6 137.8 -179.4 -127.7 19.5 175.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39
43 44 THR T t > T - 0 0 -80.9 171.4 179.7 -96.8 36.3 105.6 47 -2.4 46 -2.5 0 0.0 0 0.0 10 32
44 45 GLY G T T 3 TS+ 0 0 -58.2 -26.1 179.7 51.9 127.2 40.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
45 46 MET M T T 3 TS- 0 0 -93.1 7.4 179.3 -103.1 124.6 71.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
46 47 GLY G t < T + 0 0 82.4 15.9 179.7 154.7 67.9 49.0 43 -2.5 0 0.0 0 0.0 0 0.0 6 35
47 48 ALA A - 0 0 -79.6 137.7 -179.8 -169.1 20.9 126.5 0 0.0 43 -2.4 0 0.0 0 0.0 13 45
48 49 THR T B h > A > T - 42 0 -119.9 173.6 179.4 -95.3 41.3 134.7 0 0.0 52 -1.4 0 0.0 51 -0.5 12 52
49 50 LEU L H H > 3 TS+ 0 0 -58.6 -26.0 -180.0 61.5 123.8 39.3 41 -0.6 53 -2.9 0 0.0 0 0.0 12 66
50 51 LEU L H H > 3 TS+ 0 0 -67.2 -44.2 179.3 50.9 100.3 23.0 0 0.0 54 -2.5 0 0.0 0 0.0 10 61
51 52 ASP D H H 4 < TS+ 0 0 -61.6 -29.3 -179.8 48.4 114.5 33.5 48 -0.5 0 0.0 0 0.0 0 0.0 12 65
52 53 VAL V H H < TS+ 0 0 -76.1 -52.7 -177.6 24.4 123.7 17.3 48 -1.4 67 -1.6 0 0.0 0 0.0 14 75
53 54 ILE I H H X > TS+ 0 0 -94.7 -6.5 -178.6 101.7 89.9 58.2 49 -2.9 57 -2.3 0 0.0 56 -0.6 13 74
54 55 GLN Q H H X 3 TS+ 0 0 -44.7 -48.5 -179.3 50.6 83.0 30.3 50 -2.5 58 -2.5 0 0.0 0 0.0 13 58
55 56 SER S H H > 3 TS+ 0 0 -60.4 -40.7 179.9 47.3 111.9 27.7 0 0.0 59 -2.4 0 0.0 0 0.0 16 51
56 57 GLY G H H 4 < TS+ 0 0 -70.1 -34.8 179.7 50.6 111.8 31.9 65 -1.6 0 0.0 53 -0.6 0 0.0 15 56
57 58 VAL V H H < TS+ 0 0 -68.7 -45.6 180.0 39.1 116.8 21.0 53 -2.3 0 0.0 0 0.0 0 0.0 12 51
58 59 GLU E H H < TS+ 0 0 -73.2 -37.8 179.1 47.5 119.3 31.3 54 -2.5 60 -0.8 0 0.0 0 0.0 7 43
59 60 ASN N h < > T + 0 0 -108.1 89.5 -179.2 176.1 64.6 144.5 55 -2.4 62 -1.6 0 0.0 0 0.0 11 42
60 61 LEU L T T 3 TS+ 0 0 -65.1 -20.9 179.6 68.6 76.2 44.8 58 -0.8 0 0.0 0 0.0 0 0.0 11 38
61 62 ASP D T T 3 TS+ 0 0 -80.5 8.0 179.8 127.7 76.3 69.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
62 63 SER S t < T - 0 0 -64.9 146.8 178.7 -152.2 54.1 108.2 59 -1.6 0 0.0 0 0.0 0 0.0 11 45
63 64 GLY G S S S+ 0 0 -86.8 -36.7 179.7 3.5 94.8 33.9 0 0.0 25 -1.7 0 0.0 0 0.0 7 46
64 65 VAL V S S S- 0 0 -111.5 -60.8 177.6 -162.8 80.0 41.3 0 0.0 26 -1.5 0 0.0 0 0.0 9 53
65 66 GLY G + 0 0 91.1 -0.6 179.6 89.0 50.4 63.9 0 0.0 56 -1.6 0 0.0 0 0.0 15 59
66 67 ILE I - 0 0 -133.9 158.3 179.3 -177.5 42.7 158.7 0 0.0 0 0.0 0 0.0 0 0.0 12 72
67 68 TYR Y - 0 0 -144.3 160.6 179.0 -114.4 30.8 162.3 52 -1.6 0 0.0 0 0.0 0 0.0 12 68
68 69 ALA A - 0 0 -102.8 109.3 179.7 -165.1 15.8 152.1 269 -2.7 0 0.0 0 0.0 0 0.0 13 68
69 70 PRO P S S S- 0 0 -59.1 -35.8 178.0 -2.2 79.8 29.3 0 0.0 135 -1.0 0 0.0 138 -0.5 14 59
70 71 ASP D S t > > TS- 0 0 -147.4 171.1 -178.8 -97.1 81.6 156.4 0 0.0 73 -0.6 0 0.0 74 -0.6 13 56
71 72 ALA A T T 4 > TS+ 0 0 -59.7 -41.5 -179.6 59.1 118.8 27.7 0 0.0 74 -1.1 0 0.0 0 0.0 10 55
72 73 GLU E T h > > TS+ 0 0 -58.2 -32.5 -179.9 71.7 91.7 34.5 0 0.0 76 -2.9 0 0.0 75 -1.8 8 48
73 74 SER S H H > < TS+ 0 0 -53.1 -39.3 179.9 67.2 83.7 34.2 70 -0.6 77 -2.5 0 0.0 0 0.0 13 52
74 75 TYR Y H H < < TS+ 0 0 -54.8 -27.2 179.9 25.8 117.1 38.8 71 -1.1 0 0.0 70 -0.6 0 0.0 10 56
75 76 ARG R H H 4 X TS+ 0 0 -105.2 -40.4 179.1 58.8 116.2 37.9 72 -1.8 78 -2.1 0 0.0 0 0.0 9 48
76 77 THR T H H < 3 TS+ 0 0 -55.8 -42.7 179.8 29.1 122.8 24.0 72 -2.9 0 0.0 0 0.0 0 0.0 10 39
77 78 PHE F T h X > TS+ 0 0 -108.5 34.8 -179.3 132.8 86.4 95.7 73 -2.5 81 -2.1 0 0.0 80 -1.8 11 52
78 79 GLY G H H > < T + 0 0 -55.0 -41.2 179.8 67.6 58.4 34.7 75 -2.1 82 -2.9 0 0.0 0 0.0 9 50
79 80 PRO P H H 4 3 TS+ 0 0 -55.6 -19.4 178.6 34.4 113.1 43.4 0 0.0 0 0.0 0 0.0 0 0.0 10 45
80 81 LEU L H H > < TS+ 0 0 -98.9 -49.0 179.6 47.0 119.5 33.4 77 -1.8 84 -1.4 0 0.0 0 0.0 11 56
81 82 PHE F H H X TS+ 0 0 -59.3 -45.8 -178.5 60.0 106.5 23.3 77 -2.1 85 -3.2 0 0.0 0 0.0 11 64
82 83 ASP D H H X TS+ 0 0 -52.4 -57.0 179.9 39.6 107.8 23.5 78 -2.9 86 -2.6 0 0.0 0 0.0 10 54
83 84 PRO P H H > TS+ 0 0 -64.7 -32.5 179.5 50.6 118.1 30.1 0 0.0 87 -2.1 0 0.0 0 0.0 9 43
84 85 ILE I H H X TS+ 0 0 -69.8 -40.9 179.0 46.1 112.1 25.3 80 -1.4 88 -2.6 0 0.0 0 0.0 12 52
85 86 ILE I H H X TS+ 0 0 -67.3 -39.6 179.4 51.0 112.7 26.8 81 -3.2 89 -2.1 0 0.0 0 0.0 12 58
86 87 ASP D H H < >TS+ 0 0 -63.5 -41.0 -179.5 46.0 113.6 26.1 82 -2.6 91 -2.6 0 0.0 0 0.0 11 42
87 88 ASP D H H < >5TS+ 0 0 -66.8 -59.4 -179.1 42.9 115.3 10.7 83 -2.1 90 -1.4 0 0.0 0 0.0 10 41
88 89 TYR Y H H < 35TS+ 0 0 -56.5 -48.1 -178.2 49.4 113.8 27.0 84 -2.6 0 0.0 0 0.0 0 0.0 9 47
89 90 HIS H T h < 35TS- 0 0 -80.2 12.1 179.0 -109.1 114.9 71.4 85 -2.1 0 0.0 0 0.0 0 0.0 13 52
90 91 GLY G T T <5TS- 0 0 67.7 32.9 179.0 -8.5 88.4 34.3 87 -1.4 0 0.0 0 0.0 0 0.0 7 40
91 92 GLY G t T - 0 0 -71.5 163.9 179.5 -107.8 30.9 102.0 0 0.0 96 -1.2 0 0.0 0 0.0 7 28
94 95 LEU L T T 3 TS+ 0 0 -60.1 -29.5 -179.6 49.4 124.5 36.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
95 96 THR T T T 3 TS+ 0 0 -85.8 -12.0 179.9 102.2 92.7 53.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
96 97 ASP D t < T - 0 0 -72.7 152.5 178.2 -163.9 53.0 110.5 93 -1.2 0 0.0 0 0.0 0 0.0 8 30
97 98 LYS K - 0 0 -137.3 137.9 179.7 -106.5 28.3 175.4 0 0.0 0 0.0 0 0.0 0 0.0 10 33
98 99 HIS H - 0 0 -65.4 131.7 -179.9 -114.2 43.5 117.7 263 -2.4 0 0.0 0 0.0 0 0.0 13 45
99 100 PRO P - 0 0 -64.2 159.4 179.8 -81.9 39.4 98.1 0 0.0 0 0.0 0 0.0 0 0.0 8 36
100 101 PRO P - 0 0 -60.0 152.4 179.6 -78.5 62.2 102.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
101 102 LYS K + 0 0 -54.1 132.2 -179.5 169.5 60.0 106.2 0 0.0 0 0.0 0 0.0 0 0.0 7 43
102 103 GLN Q - 0 0 -154.7 102.6 179.8 -177.2 25.2 139.2 0 0.0 335 -1.7 0 0.0 0 0.0 7 37
103 104 TRP W - 0 0 -69.1 -29.4 179.8 -156.9 39.2 37.3 0 0.0 0 0.0 0 0.0 0 0.0 9 47
104 105 GLY G - 0 0 81.8 -175.7 180.0 -27.3 40.5 100.9 0 0.0 106 -1.3 0 0.0 0 0.0 6 32
105 106 ASP D g > T - 0 0 -79.3 95.8 -178.9 -170.5 54.8 129.5 0 0.0 108 -2.1 0 0.0 0 0.0 7 27
106 107 ILE I G G > TS+ 0 0 -57.8 -29.1 180.0 71.9 79.2 39.0 104 -1.3 109 -2.1 0 0.0 0 0.0 9 34
107 108 ASN N G G 3 TS+ 0 0 -65.1 -9.8 179.4 64.0 87.9 53.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
108 109 THR T G G < TS+ 0 0 -90.2 -7.2 179.0 94.6 84.1 58.3 105 -2.1 0 0.0 0 0.0 0 0.0 5 28
109 110 LEU L g < T - 0 0 -82.5 148.4 -177.5 -163.0 62.6 126.2 106 -2.1 0 0.0 0 0.0 0 0.0 10 40
110 111 VAL V - 0 0 -131.1 174.8 177.2 -83.0 30.1 137.2 0 0.0 238 -0.8 0 0.0 112 -0.5 9 39
111 112 GLY G B B B - 237 0 -75.6 123.6 -176.9 -150.9 40.3 133.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
112 113 LEU L S S S+ 0 0 -73.7 -20.8 -178.0 14.6 79.9 46.5 236 -3.2 0 0.0 110 -0.5 0 0.0 11 54
113 114 ASP D t > T + 0 0 -157.9 72.5 -179.7 177.4 61.1 112.6 0 0.0 116 -2.1 0 0.0 0 0.0 11 42
114 115 PRO P T T 3 TS+ 0 0 -43.9 -49.4 -179.7 51.7 85.1 34.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
115 116 ALA A T T 3 TS- 0 0 -65.8 -21.0 178.5 -141.4 100.1 45.6 0 0.0 0 0.0 0 0.0 0 0.0 4 23
116 117 GLY G t < T + 0 0 68.2 26.2 -179.5 121.6 63.3 45.3 113 -2.1 0 0.0 0 0.0 0 0.0 9 30
117 118 GLN Q S S S+ 0 0 -94.2 -11.7 -178.4 26.9 80.6 52.3 0 0.0 0 0.0 0 0.0 0 0.0 5 32
118 119 PHE F S e S+ 0 0 -115.1 -54.3 -179.0 65.4 104.2 36.0 0 0.0 285 -2.1 0 0.0 0 0.0 9 44
119 120 ILE I E E AA + 284 0 -81.3 132.0 179.8 178.9 45.1 126.9 0 0.0 0 0.0 0 0.0 0 0.0 14 50
120 121 ILE I E E A* - 0 0 -96.5 -40.5 -179.6 -5.1 68.0 35.2 283 -3.5 235 -2.6 0 0.0 0 0.0 12 43
121 122 SER S E E AAB - 283 234 -158.0 149.6 -179.8 -143.6 56.2 173.3 283 -1.2 283 -2.4 0 0.0 0 0.0 12 54
122 123 THR T E E AAB + 282 233 -117.6 142.1 -177.5 175.2 21.8 158.4 233 -2.4 233 -1.8 0 0.0 0 0.0 17 63
123 124 ARG R E E AAB - 281 232 -149.2 143.2 178.0 -172.2 14.1 178.0 281 -2.8 281 -3.6 0 0.0 0 0.0 13 66
124 125 VAL V E E AAB - 280 231 -137.4 128.9 180.0 -180.0 13.9 174.4 231 -2.6 231 -2.0 0 0.0 0 0.0 14 69
125 126 ARG R E E AAB - 279 230 -131.3 155.6 178.4 -168.1 10.2 158.9 279 -1.4 279 -1.9 0 0.0 0 0.0 13 74
126 127 CYS C E E A B - 0 229 -133.2 162.0 179.6 -139.9 13.7 153.4 229 -2.0 229 -2.2 0 0.0 0 0.0 11 71
127 128 GLY G E E A B - 0 228 -128.2 145.9 180.0 -176.4 16.1 164.6 0 0.0 0 0.0 0 0.0 0 0.0 14 63
128 129 ARG R E E A B - 0 227 -141.5 148.2 178.9 -148.0 14.1 171.1 227 -1.9 227 -1.8 0 0.0 0 0.0 15 67
129 130 SER S - 0 0 -117.2 136.7 -179.5 -117.4 26.4 162.3 0 0.0 259 -2.7 0 0.0 0 0.0 14 61
130 131 LEU L B B C > T - 258 0 -75.2 130.6 178.2 -116.0 29.4 124.5 0 0.0 133 -1.8 0 0.0 0 0.0 10 54
131 132 GLN Q T T 3 TS+ 0 0 -64.4 131.7 -180.0 29.6 102.3 116.7 257 -2.4 0 0.0 0 0.0 0 0.0 7 40
132 133 GLY G T T 3 TS+ 0 0 105.5 -21.6 -179.7 91.3 103.3 83.6 0 0.0 0 0.0 0 0.0 0 0.0 4 37
133 134 TYR Y t < T - 0 0 -113.6 135.2 179.7 -139.7 66.0 154.7 130 -1.8 0 0.0 0 0.0 0 0.0 8 49
134 135 PRO P - 0 0 -78.5 178.9 179.4 -78.2 38.6 98.8 0 0.0 0 0.0 0 0.0 0 0.0 10 55
135 136 PHE F g > T - 0 0 -77.2 164.1 -178.3 -80.0 59.8 110.3 69 -1.0 138 -2.4 0 0.0 0 0.0 15 63
136 137 ASN N G G > TS+ 0 0 -28.7 -56.2 -179.4 59.2 123.0 44.2 0 0.0 139 -1.7 0 0.0 0 0.0 13 66
137 138 PRO P G G 3 TS+ 0 0 -54.8 -24.4 -178.8 43.0 110.3 44.8 0 0.0 0 0.0 0 0.0 0 0.0 12 52
138 139 CYS C G G < TS+ 0 0 -105.6 4.5 -179.0 109.4 91.5 67.3 135 -2.4 0 0.0 69 -0.5 0 0.0 9 51
139 140 LEU L g < T - 0 0 -86.2 142.6 178.0 -143.7 56.4 124.8 136 -1.7 0 0.0 0 0.0 0 0.0 10 47
140 141 THR T h > T - 0 0 -96.0 164.5 179.5 -107.8 30.2 124.4 0 0.0 144 -1.9 0 0.0 0 0.0 6 32
141 142 ALA A H H > TS+ 0 0 -58.9 -35.5 -179.8 53.2 122.8 28.8 0 0.0 145 -1.5 0 0.0 0 0.0 10 31
142 143 GLU E H H > TS+ 0 0 -67.6 -38.9 179.7 52.7 105.4 27.8 0 0.0 146 -2.4 0 0.0 0 0.0 6 27
143 144 GLN Q H H > TS+ 0 0 -65.2 -38.2 178.7 55.6 104.8 28.0 0 0.0 147 -2.9 0 0.0 0 0.0 9 38
144 145 TYR Y H H X TS+ 0 0 -59.6 -42.6 179.9 45.2 110.9 24.9 140 -1.9 148 -2.3 0 0.0 0 0.0 13 46
145 146 LYS K H H X TS+ 0 0 -67.5 -42.7 179.7 52.1 111.5 24.7 141 -1.5 149 -2.4 0 0.0 0 0.0 10 39
146 147 GLU E H H X TS+ 0 0 -57.7 -48.9 -179.7 45.6 112.6 18.8 142 -2.4 150 -2.4 0 0.0 0 0.0 9 35
147 148 MET M H H X TS+ 0 0 -61.8 -43.4 179.7 53.7 110.1 25.8 143 -2.9 151 -2.7 0 0.0 0 0.0 11 53
148 149 GLU E H H X TS+ 0 0 -59.2 -42.9 -179.4 46.8 110.8 25.0 144 -2.3 152 -2.6 0 0.0 0 0.0 13 50
149 150 GLU E H H X TS+ 0 0 -66.2 -46.8 179.7 48.4 112.8 20.6 145 -2.4 153 -2.4 0 0.0 0 0.0 8 38
150 151 LYS K H H X TS+ 0 0 -59.4 -49.0 -179.7 41.6 117.1 21.0 146 -2.4 154 -2.1 0 0.0 0 0.0 8 42
151 152 VAL V H H X TS+ 0 0 -65.4 -52.2 -179.8 47.7 115.5 17.5 147 -2.7 155 -2.7 0 0.0 0 0.0 9 55
152 153 SER S H H X TS+ 0 0 -57.0 -41.9 179.7 50.1 113.0 26.6 148 -2.6 156 -0.8 0 0.0 0 0.0 10 47
153 154 SER S H H < > TS+ 0 0 -62.0 -46.9 179.7 48.7 111.0 20.4 149 -2.4 156 -0.9 0 0.0 0 0.0 8 36
154 155 THR T H H < > TS+ 0 0 -59.1 -44.7 -179.1 52.6 109.3 24.4 150 -2.1 157 -1.6 0 0.0 0 0.0 11 41
155 156 LEU L H H < > TS+ 0 0 -68.5 -15.6 179.2 72.0 93.2 49.7 151 -2.7 158 -1.2 0 0.0 0 0.0 11 48
156 157 SER S T h < < TS+ 0 0 -72.3 -15.0 -179.9 60.2 92.2 46.3 153 -0.9 0 0.0 152 -0.8 0 0.0 10 35
157 158 SER S T G < TS+ 0 0 -88.5 -6.2 179.8 118.4 76.4 59.8 154 -1.6 0 0.0 0 0.0 0 0.0 7 31
158 159 MET M g < T - 0 0 -62.9 136.2 -178.9 -161.5 49.8 113.8 155 -1.2 0 0.0 0 0.0 0 0.0 9 39
159 160 GLU E g > T - 0 0 -119.3 170.8 178.5 -2.2 39.9 134.3 0 0.0 162 -1.6 0 0.0 0 0.0 7 32
160 161 ASP D G G > TS+ 0 0 55.9 -127.8 -179.1 0.2 130.5 105.2 0 0.0 163 -1.3 0 0.0 0 0.0 5 24
161 162 GLU E G G 3 TS+ 0 0 -61.7 -30.4 -178.8 52.8 137.9 34.4 0 0.0 0 0.0 0 0.0 0 0.0 5 36
162 163 LEU L G G < TS+ 0 0 -83.5 -7.4 179.6 119.4 80.1 57.7 159 -1.6 0 0.0 0 0.0 0 0.0 10 42
163 164 LYS K g < T + 0 0 -60.2 133.4 -179.5 131.5 41.6 110.6 160 -1.3 0 0.0 0 0.0 0 0.0 11 37
164 165 GLY G - 0 0 -160.9 -163.4 -178.9 -90.7 49.0 149.8 0 0.0 0 0.0 0 0.0 0 0.0 12 36
165 166 THR T E E AC - 211 0 -131.4 144.7 178.1 -128.3 26.3 163.8 211 -1.8 211 -1.9 0 0.0 0 0.0 9 36
166 167 TYR Y E E AC - 210 0 -94.0 128.8 -179.9 -164.0 19.5 144.5 0 0.0 0 0.0 0 0.0 0 0.0 11 49
167 168 TYR Y E E AC - 209 0 -116.7 104.2 180.0 -142.5 13.1 155.9 209 -3.1 209 -2.5 0 0.0 0 0.0 8 48
168 169 PRO P E E AC - 208 0 -62.5 143.3 178.8 -141.0 7.7 108.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
169 170 LEU L S e > TS+ 0 0 -72.5 -36.6 178.7 83.4 87.7 28.2 207 -2.9 172 -1.8 0 0.0 0 0.0 12 45
170 171 THR T T T 3 TS+ 0 0 -67.9 117.4 -179.6 13.0 106.7 122.6 207 -0.7 0 0.0 0 0.0 0 0.0 9 36
171 172 GLY G T T 3 TS+ 0 0 99.1 -14.5 179.3 135.8 92.8 76.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19
172 173 MET M t < T - 0 0 -69.0 130.5 -179.9 -111.9 62.0 121.0 169 -1.8 0 0.0 0 0.0 0 0.0 9 29
173 174 SER S h > T - 0 0 -61.1 152.4 179.8 -121.7 18.2 103.9 0 0.0 177 -2.3 0 0.0 0 0.0 6 20
174 175 LYS K H H > TS+ 0 0 -62.2 -39.0 -179.5 54.4 112.3 26.7 0 0.0 178 -2.5 0 0.0 0 0.0 6 22
175 176 ALA A H H > TS+ 0 0 -61.4 -48.0 179.9 45.2 109.8 22.4 0 0.0 179 -2.0 0 0.0 0 0.0 6 19
176 177 THR T H H > TS+ 0 0 -63.3 -45.1 179.7 50.7 112.7 22.1 0 0.0 180 -2.6 0 0.0 0 0.0 8 28
177 178 GLN Q H H X TS+ 0 0 -58.7 -47.2 -179.4 46.5 112.6 20.9 173 -2.3 181 -1.5 0 0.0 0 0.0 11 32
178 179 GLN Q H H X TS+ 0 0 -65.3 -35.0 179.6 50.9 111.8 32.3 174 -2.5 182 -2.8 0 0.0 0 0.0 8 26
179 180 GLN Q H H X TS+ 0 0 -68.9 -40.8 179.8 51.2 108.9 23.9 175 -2.0 183 -2.5 0 0.0 0 0.0 8 22
180 181 LEU L H H < >TS+ 0 0 -65.2 -29.5 179.2 45.2 113.9 37.3 176 -2.6 185 -2.3 0 0.0 186 -2.1 10 38
181 182 ILE I H H < >5TS+ 0 0 -79.2 -46.1 179.4 50.0 111.8 23.0 177 -1.5 184 -2.1 0 0.0 0 0.0 11 36
182 183 ASP D H H < 35TS+ 0 0 -58.5 -37.9 179.9 54.2 108.7 28.7 178 -2.8 0 0.0 0 0.0 0 0.0 8 26
183 184 ASP D T h < 35TS- 0 0 -78.1 4.2 178.1 -117.7 116.9 68.0 179 -2.5 0 0.0 0 0.0 0 0.0 7 35
184 185 HIS H T T <5TS+ 0 0 69.1 19.7 -179.3 105.7 87.5 49.6 181 -2.1 0 0.0 0 0.0 0 0.0 8 51
185 186 PHE F t T - 0 0 -80.1 119.2 -178.4 -150.7 17.1 132.9 0 0.0 195 -2.8 0 0.0 0 0.0 7 36
192 193 ARG R H H > TS+ 0 0 -60.7 -32.6 179.9 52.2 94.1 36.1 190 -0.6 196 -1.8 0 0.0 0 0.0 7 36
193 194 PHE F H H 4 TS+ 0 0 -72.6 -36.5 179.2 42.1 114.7 28.7 0 0.0 0 0.0 0 0.0 0 0.0 10 48
194 195 LEU L H H 4 >>TS+ 0 0 -76.0 -39.5 -179.9 56.6 110.8 28.4 0 0.0 199 -2.2 0 0.0 197 -0.6 12 53
195 196 GLN Q H H < >5TS+ 0 0 -57.2 -51.3 -179.2 49.6 105.7 18.6 191 -2.8 198 -2.3 0 0.0 0 0.0 12 42
196 197 THR T T h < 35TS+ 0 0 -63.6 -18.7 178.6 57.4 106.0 47.2 192 -1.8 0 0.0 0 0.0 0 0.0 11 42
197 198 ALA A T T <5TS- 0 0 -91.3 6.1 -179.1 -118.3 116.4 69.6 194 -0.6 0 0.0 0 0.0 0 0.0 13 50
198 199 ASN N T T <5TS+ 0 0 57.5 43.7 -179.5 130.9 76.2 26.7 195 -2.3 0 0.0 0 0.0 0 0.0 9 49
199 200 ALA A t T + 0 0 -119.9 19.0 -180.0 145.3 69.9 81.3 0 0.0 203 -1.4 0 0.0 0 0.0 10 47
201 202 ARG R T T 3 T + 0 0 -59.7 143.7 177.9 13.9 69.5 103.4 0 0.0 0 0.0 0 0.0 0 0.0 9 38
202 203 TYR Y T T > TS- 0 0 67.9 12.5 179.6 -147.4 101.2 54.0 0 0.0 205 -2.9 0 0.0 0 0.0 6 36
203 204 TRP W T T < TS+ 0 0 -54.4 138.5 -0.4 14.9 70.6 103.3 200 -1.4 0 0.0 0 0.0 0 0.0 7 44
204 205 PRO P T T > TS+ 0 0 -98.7 29.7 -179.0 116.9 95.1 146.9 0 0.0 207 -2.0 0 0.0 0 0.0 7 45
205 206 THR T T T < TS+ 0 0 -60.2 124.1 179.3 4.4 90.8 110.3 202 -2.9 0 0.0 0 0.0 0 0.0 10 37
206 207 GLY G T T 3 TS+ 0 0 81.6 1.6 179.6 122.2 104.1 61.1 0 0.0 0 0.0 0 0.0 0 0.0 16 48
207 208 ARG R e < T + 0 0 -97.4 151.4 179.4 118.9 29.0 133.8 204 -2.0 169 -2.9 0 0.0 170 -0.7 15 53
208 209 GLY G E E ACD - 168 221 174.2 179.3 179.9 -105.9 47.2 170.0 221 -1.6 221 -3.0 0 0.0 0 0.0 13 57
209 210 ILE I E E ACD - 167 220 -137.8 134.5 177.8 -160.5 14.4 174.9 167 -2.5 167 -3.1 0 0.0 0 0.0 13 67
210 211 PHE F E E ACD + 166 219 -108.6 137.8 178.8 159.9 24.5 155.3 219 -2.4 219 -2.6 0 0.0 0 0.0 14 60
211 212 HIS H E E ACD - 165 218 -159.3 145.2 178.2 -113.9 40.0 168.8 165 -1.9 165 -1.8 0 0.0 0 0.0 15 55
212 213 ASN N e > T - 0 0 -70.9 162.3 -178.6 -99.4 48.1 111.0 217 -1.9 215 -1.4 0 0.0 0 0.0 13 38
213 214 ASP D T T 3 TS+ 0 0 -53.2 -35.2 -179.8 53.3 125.1 32.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
214 215 ALA A T T 3 TS- 0 0 -73.5 -20.4 -179.3 -132.5 103.7 44.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
215 216 LYS K S t < TS+ 0 0 68.6 38.3 179.0 118.2 74.3 28.1 212 -1.4 0 0.0 0 0.0 0 0.0 9 44
216 217 THR T S e S+ 0 0 -104.5 -20.1 178.4 44.5 74.2 56.0 0 0.0 232 -2.1 0 0.0 0 0.0 10 51
217 218 PHE F E E A E S+ 0 231 -128.4 121.6 -179.3 164.0 74.0 172.4 0 0.0 212 -1.9 0 0.0 0 0.0 14 58
218 219 LEU L E E ADE - 211 230 -138.7 155.5 178.4 -157.4 23.5 163.9 230 -2.5 230 -3.6 0 0.0 0 0.0 13 65
219 220 VAL V E E ADE - 210 229 -136.4 118.2 178.6 -146.6 13.2 166.8 210 -2.6 210 -2.4 0 0.0 0 0.0 11 74
220 221 TRP W E E ADE - 209 228 -82.9 131.2 179.7 -149.6 16.1 136.1 228 -2.5 228 -1.2 0 0.0 222 -0.6 16 65
221 222 VAL V E E ADE - 208 227 -110.6 119.4 178.0 -16.9 65.3 155.8 208 -3.0 208 -1.6 0 0.0 0 0.0 15 66
222 223 ASN N S e S+ 0 0 64.5 36.7 176.6 120.7 92.1 39.5 226 -2.5 0 0.0 220 -0.6 0 0.0 13 67
223 224 GLU E S S S- 0 0 -91.3 -120.1 179.6 -28.8 93.9 63.5 225 -1.1 0 0.0 0 0.0 0 0.0 10 68
224 225 GLU E S S S+ 0 0 -64.4 -41.0 178.5 24.8 141.0 26.6 0 0.0 0 0.0 0 0.0 0 0.0 8 68
225 226 ASP D S S S- 0 0 -120.1 161.5 -179.8 -106.4 91.5 145.7 0 0.0 223 -1.1 0 0.0 0 0.0 14 70
226 227 HIS H S e S+ 0 0 -52.2 -44.2 179.1 9.9 105.8 23.5 0 0.0 222 -2.5 0 0.0 0 0.0 14 74
227 228 LEU L E E ABE - 128 221 -140.5 145.8 175.7 -170.1 55.7 172.4 128 -1.8 128 -1.9 0 0.0 0 0.0 12 73
228 229 ARG R E E ABE - 127 220 -133.3 110.7 -178.8 -155.7 18.2 167.4 220 -1.2 220 -2.5 0 0.0 230 -0.6 12 65
229 230 ILE I E E ABE - 126 219 -94.2 119.9 -175.7 -168.7 19.1 150.0 126 -2.2 126 -2.0 0 0.0 0 0.0 15 67
230 231 ILE I E E ABE - 125 218 -121.1 143.8 177.6 -178.9 22.9 153.2 218 -3.6 218 -2.5 228 -0.6 0 0.0 14 68
231 232 SER S E E ABE + 124 217 -134.5 126.2 -178.5 146.5 26.4 177.5 124 -2.0 124 -2.6 0 0.0 0 0.0 14 60
232 233 MET M E E AB + 123 0 -159.0 161.8 179.8 160.4 13.5 173.3 216 -2.1 0 0.0 0 0.0 0 0.0 12 59
233 234 GLN Q E E AB - 122 0 -175.0 160.7 179.1 -78.4 45.3 162.3 122 -1.8 122 -2.4 0 0.0 0 0.0 9 46
234 235 LYS K E E AB S+ 121 0 -65.5 157.1 179.8 29.2 93.4 105.4 0 0.0 0 0.0 0 0.0 0 0.0 7 41
235 236 GLY G S e S- 0 0 87.0 -173.4 -178.7 -75.8 98.2 106.7 120 -2.6 0 0.0 0 0.0 0 0.0 10 38
236 237 GLY G + 0 0 -120.9 35.2 179.5 137.8 68.5 92.6 0 0.0 112 -3.2 0 0.0 238 -1.9 14 49
237 238 ASP D B h > B T + 111 0 -81.3 79.9 -179.4 168.1 19.0 122.7 0 0.0 241 -2.1 0 0.0 0 0.0 10 46
238 239 LEU L H H > TS+ 0 0 -60.9 -37.2 -179.3 60.2 70.2 32.6 236 -1.9 242 -3.2 110 -0.8 0 0.0 13 61
239 240 LYS K H H > TS+ 0 0 -58.8 -48.2 179.6 40.9 109.6 22.3 0 0.0 243 -2.5 0 0.0 0 0.0 11 46
240 241 THR T H H > TS+ 0 0 -67.5 -44.1 179.6 49.1 116.8 24.3 0 0.0 244 -2.2 0 0.0 0 0.0 7 43
241 242 VAL V H H X TS+ 0 0 -60.4 -48.6 -179.4 43.5 115.4 19.1 237 -2.1 245 -1.9 0 0.0 0 0.0 14 57
242 243 TYR Y H H X TS+ 0 0 -63.9 -47.0 -179.9 52.9 111.7 22.7 238 -3.2 246 -3.0 0 0.0 0 0.0 11 62
243 244 LYS K H H X TS+ 0 0 -56.4 -42.8 179.7 50.4 109.0 25.8 239 -2.5 247 -2.5 0 0.0 0 0.0 9 45
244 245 ARG R H H X TS+ 0 0 -62.3 -43.4 179.7 48.8 111.3 22.8 240 -2.2 248 -2.4 0 0.0 0 0.0 10 50
245 246 LEU L H H X TS+ 0 0 -60.7 -51.9 -180.0 50.1 110.5 17.6 241 -1.9 249 -3.0 0 0.0 0 0.0 14 61
246 247 VAL V H H X TS+ 0 0 -52.6 -48.0 179.7 49.9 110.9 23.6 242 -3.0 250 -2.6 0 0.0 0 0.0 9 52
247 248 THR T H H X TS+ 0 0 -57.0 -49.9 -179.3 45.7 113.3 20.5 243 -2.5 251 -2.0 0 0.0 0 0.0 8 43
248 249 ALA A H H X TS+ 0 0 -61.5 -48.0 180.0 46.4 114.3 24.3 244 -2.4 252 -2.7 0 0.0 0 0.0 10 51
249 250 VAL V H H X TS+ 0 0 -62.2 -47.6 179.5 51.2 111.7 21.4 245 -3.0 253 -2.6 0 0.0 0 0.0 9 58
250 251 ASP D H H X TS+ 0 0 -55.8 -44.8 -179.2 43.8 114.7 25.2 246 -2.6 254 -0.9 0 0.0 0 0.0 8 40
251 252 ASN N H H < TS+ 0 0 -68.6 -46.0 -179.9 48.8 113.5 23.8 247 -2.0 0 0.0 0 0.0 0 0.0 8 36
252 253 ILE I H H X > TS+ 0 0 -63.7 -35.8 179.8 55.5 108.3 29.5 248 -2.7 256 -2.8 0 0.0 255 -1.0 10 50
253 254 GLU E H H < 3 TS+ 0 0 -68.6 -27.6 179.6 59.6 99.3 38.4 249 -2.6 0 0.0 0 0.0 0 0.0 9 40
254 255 SER S T h < 3 TS+ 0 0 -74.0 -12.9 -178.9 34.3 117.1 48.5 250 -0.9 0 0.0 0 0.0 0 0.0 7 24
255 256 LYS K T T 4 < TS+ 0 0 -109.0 -37.4 -179.2 50.1 116.4 40.4 252 -1.0 0 0.0 0 0.0 0 0.0 7 29
256 257 LEU L S t < TS- 0 0 -114.2 130.3 179.7 -128.2 76.2 156.2 252 -2.8 258 -0.6 0 0.0 0 0.0 8 39
257 258 PRO P - 0 0 -75.6 115.3 -179.7 -166.6 31.3 127.8 0 0.0 131 -2.4 0 0.0 0 0.0 8 31
258 259 PHE F B B C - 130 0 -107.0 146.3 -179.6 -106.0 25.2 143.5 256 -0.6 0 0.0 0 0.0 0 0.0 10 44
259 260 SER S e + 0 0 -72.6 120.3 179.0 177.0 40.9 123.1 129 -2.7 267 -1.9 0 0.0 0 0.0 10 46
260 261 HIS H E E BF - 266 0 -125.8 138.9 -178.8 -151.7 14.1 167.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
261 262 ASP D E E >BF T - 265 0 -114.1 141.5 -179.3 -131.6 19.4 153.6 265 -3.6 265 -1.7 0 0.0 0 0.0 8 40
262 263 ASP D T T 4 TS+ 0 0 -57.7 -33.3 -179.9 21.8 108.6 35.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
263 264 ARG R T T 4 TS+ 0 0 -103.7 -40.5 -178.3 38.8 131.2 36.4 0 0.0 98 -2.4 0 0.0 0 0.0 7 42
264 265 PHE F T T 4 TS- 0 0 -93.9 3.1 -179.3 -148.1 90.3 65.8 0 0.0 275 -2.4 0 0.0 0 0.0 12 57
265 266 GLY G E E TS- 0 0 -100.0 138.6 180.0 -131.7 81.6 145.0 0 0.0 273 -2.0 0 0.0 0 0.0 9 77
271 272 PRO P G G > TS+ 0 0 -60.0 -18.7 -179.9 68.0 104.0 45.4 0 0.0 274 -0.9 0 0.0 0 0.0 11 74
272 273 THR T G G 3 TS+ 0 0 -75.1 -16.4 -178.4 51.7 98.3 47.0 0 0.0 0 0.0 0 0.0 0 0.0 11 64
273 274 ASN N G G < TS+ 0 0 -105.0 13.0 179.9 116.8 84.8 74.7 270 -2.0 0 0.0 0 0.0 0 0.0 14 67
274 275 LEU L g X T + 0 0 -72.8 175.2 178.6 19.5 64.0 94.5 271 -0.9 277 -1.7 0 0.0 276 -0.9 14 68
275 276 GLY G B B dE3 TS+ 265 266 71.7 -103.6 179.3 9.1 139.0 122.0 264 -2.4 266 -1.6 266 -0.7 0 0.0 13 60
276 277 THR T T T 3 TS- 0 0 -80.4 -25.4 -178.9 -151.6 83.3 42.7 329 -2.6 0 0.0 274 -0.9 0 0.0 15 67
277 278 THR T t < T + 0 0 61.4 14.2 -176.7 149.4 46.4 51.3 274 -1.7 0 0.0 0 0.0 0 0.0 15 65
278 279 MET M + 0 0 -91.4 134.1 176.5 176.0 32.7 128.3 0 0.0 0 0.0 0 0.0 0 0.0 13 73
279 280 ARG R E E AA - 125 0 -132.8 98.6 178.9 -174.0 8.4 153.8 125 -1.9 125 -1.4 0 0.0 281 -0.6 13 68
280 281 ALA A E E AA + 124 0 -93.3 124.7 -178.1 165.9 21.2 149.4 0 0.0 326 -1.3 0 0.0 0 0.0 13 76
281 282 SER S E E AAG - 123 325 -139.4 170.0 177.8 -154.5 28.5 151.7 123 -3.6 123 -2.8 279 -0.6 0 0.0 12 74
282 283 VAL V E E AAG - 122 324 -141.6 147.4 175.4 -132.6 21.3 166.3 324 -1.5 324 -2.2 0 0.0 284 -0.7 14 70
283 284 HIS H E E AAG + 121 323 -98.6 116.3 -175.4 171.6 48.4 162.4 121 -2.4 120 -3.5 0 0.0 121 -1.2 13 63
284 285 ILE I E E AAG - 119 322 -136.8 152.6 178.9 -140.3 35.6 163.9 322 -2.7 322 -2.8 282 -0.7 0 0.0 12 67
285 286 GLN Q E E A G + 0 321 -112.0 125.1 179.4 163.1 24.5 161.7 118 -2.1 0 0.0 0 0.0 0 0.0 10 52
286 287 LEU L h > T + 0 0 -141.2 74.1 -179.4 176.7 7.3 128.5 320 -0.6 290 -2.8 0 0.0 0 0.0 11 52
287 288 PRO P H H > TS+ 0 0 -49.1 -43.4 -179.7 44.2 78.8 35.3 0 0.0 291 -1.2 0 0.0 0 0.0 8 36
288 289 LYS K H H 4 TS+ 0 0 -72.1 -50.2 -179.9 39.3 119.6 16.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
289 290 LEU L H H 4 TS+ 0 0 -68.9 -29.2 -178.8 50.8 118.2 36.5 0 0.0 0 0.0 0 0.0 0 0.0 12 40
290 291 ALA A H H < > TS+ 0 0 -80.8 -24.7 -179.5 91.2 82.7 44.1 286 -2.8 293 -0.5 0 0.0 0 0.0 10 44
291 292 LYS K T h < 3 TS+ 0 0 -37.0 -49.0 179.3 29.3 100.8 32.4 287 -1.2 293 -0.7 0 0.0 0 0.0 7 30
292 293 ASP D T h > > TS- 0 0 -117.2 86.3 -177.4 -160.6 81.9 147.4 0 0.0 295 -2.0 0 0.0 296 -1.2 7 23
293 294 ARG R H H > < TS+ 0 0 -42.3 -25.4 179.4 71.5 85.0 45.8 291 -0.7 297 -2.9 290 -0.5 0 0.0 8 34
294 295 LYS K H H > 3 TS+ 0 0 -58.4 -46.9 179.5 41.3 102.6 17.8 0 0.0 298 -2.1 0 0.0 0 0.0 6 23
295 296 VAL V H H > < TS+ 0 0 -69.5 -33.0 179.5 57.2 111.3 33.8 292 -2.0 299 -2.6 0 0.0 0 0.0 9 27
296 297 LEU L H H X TS+ 0 0 -62.5 -49.9 -179.7 38.5 113.8 14.1 292 -1.2 300 -2.4 0 0.0 0 0.0 11 44
297 298 GLU E H H X TS+ 0 0 -70.4 -30.5 179.2 52.8 115.9 35.1 293 -2.9 301 -2.1 0 0.0 0 0.0 10 42
298 299 ASP D H H X TS+ 0 0 -72.0 -36.5 178.9 45.6 112.0 28.6 294 -2.1 302 -0.9 0 0.0 0 0.0 8 29
299 300 ILE I H H X > TS+ 0 0 -70.1 -45.6 -179.8 50.6 112.8 21.8 295 -2.6 303 -0.6 0 0.0 302 -0.5 9 40
300 301 ALA A H H < >>TS+ 0 0 -59.1 -44.9 -179.0 58.0 104.0 24.3 296 -2.4 305 -2.4 0 0.0 303 -1.7 14 49
301 302 SER S H H < >5TS+ 0 0 -58.5 -31.0 179.5 60.1 98.3 36.4 297 -2.1 304 -1.4 0 0.0 0 0.0 9 34
302 303 LYS K H H < <5TS+ 0 0 -69.4 -21.2 178.9 46.4 107.3 43.7 298 -0.9 0 0.0 299 -0.5 0 0.0 7 32
303 304 PHE F T h < <5TS- 0 0 -101.0 9.7 -179.9 -109.9 121.4 75.5 300 -1.7 0 0.0 299 -0.6 0 0.0 10 38
304 305 ASN N T e <5TS+ 0 0 65.8 32.1 -179.9 138.8 74.8 34.8 301 -1.4 327 -2.6 0 0.0 328 -0.6 11 45
305 306 LEU L E E AH T - 312 0 -74.4 172.9 -178.8 -98.7 42.5 100.1 312 -1.2 312 -1.6 0 0.0 0 0.0 14 38
310 311 THR T T T 3 TS+ 0 0 -63.2 -30.5 -180.0 44.7 125.7 37.4 316 -1.3 0 0.0 0 0.0 0 0.0 12 39
311 312 ARG R T T 3 TS- 0 0 -97.1 10.6 179.4 -92.7 126.3 73.0 316 -0.6 0 0.0 0 0.0 0 0.0 9 40
312 313 GLY G B B F X TS- 309 0 113.4 -172.2 179.7 -8.6 73.2 130.6 309 -1.6 309 -1.2 0 0.0 315 -1.1 8 46
313 314 GLU E T T 3 TS+ 0 0 -59.3 152.6 179.3 25.4 123.9 100.7 0 0.0 0 0.0 0 0.0 0 0.0 6 46
314 315 HIS H T T 3 TS+ 0 0 67.3 14.4 178.8 102.8 105.0 51.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
315 316 THR T S t < TS- 0 0 -124.0 164.4 179.9 -112.8 70.5 146.5 312 -1.1 0 0.0 0 0.0 0 0.0 9 33
316 317 GLU E - 0 0 -90.6 165.6 178.1 -98.9 36.0 117.5 0 0.0 310 -1.3 0 0.0 311 -0.6 8 29
317 318 SER S - 0 0 -83.7 143.9 179.1 -150.0 34.5 127.9 0 0.0 0 0.0 0 0.0 0 0.0 12 35
318 319 GLU E B B G > TS- 321 0 -117.4 132.1 179.8 -5.0 74.0 165.6 321 -0.8 321 -1.8 0 0.0 0 0.0 8 29
319 320 GLY G T T 3 TS- 0 0 58.4 30.1 179.1 -62.1 127.4 35.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
320 321 GLY G T e 3 TS+ 0 0 73.0 12.3 179.7 141.3 98.6 52.5 0 0.0 322 -0.7 0 0.0 286 -0.6 9 35
321 322 VAL V E E AGG< T - 285 318 -94.1 116.7 -179.8 -172.6 28.9 142.5 318 -1.8 318 -0.8 0 0.0 0 0.0 12 46
322 323 TYR Y E E AG - 284 0 -109.3 151.7 177.9 -133.1 24.2 141.1 284 -2.8 284 -2.7 320 -0.7 324 -0.7 14 54
323 324 ASP D E E AGH - 283 308 -100.5 112.0 -179.6 -179.5 31.4 155.6 308 -2.8 308 -3.3 0 0.0 0 0.0 14 60
324 325 ILE I E E AGH + 282 307 -119.7 129.2 -177.5 150.2 11.4 167.3 282 -2.2 282 -1.5 322 -0.7 0 0.0 15 69
325 326 SER S E E AGH - 281 306 -149.5 171.5 177.9 -74.3 51.4 158.1 306 -2.0 306 -3.2 0 0.0 0 0.0 12 68
326 327 ASN N E E A H - 0 305 -70.4 129.5 -179.7 -162.2 35.2 123.1 280 -1.3 0 0.0 0 0.0 0 0.0 15 62
327 328 LYS K e + 0 0 -81.2 -39.6 -178.6 75.5 67.0 30.7 304 -2.6 0 0.0 0 0.0 0 0.0 9 63
328 329 ARG R + 0 0 -78.0 141.5 179.7 155.9 40.9 120.6 304 -0.6 0 0.0 0 0.0 0 0.0 12 57
329 330 ARG R + 0 0 -136.6 -20.9 -179.3 65.7 56.8 59.2 0 0.0 276 -2.6 0 0.0 0 0.0 17 61
330 331 LEU L S S S+ 0 0 -111.3 143.3 179.8 28.6 94.6 149.0 0 0.0 0 0.0 0 0.0 0 0.0 16 63
331 332 GLY G S S S+ 0 0 89.2 6.3 178.6 72.8 109.1 55.9 0 0.0 0 0.0 0 0.0 0 0.0 12 52
332 333 LEU L S S S- 0 0 -148.7 152.3 -179.1 -102.2 84.2 169.0 0 0.0 0 0.0 0 0.0 0 0.0 13 47
333 334 THR T h > T - 0 0 -71.8 169.5 178.5 -105.7 34.9 100.3 0 0.0 337 -2.3 0 0.0 0 0.0 14 45
334 335 GLU E H H > TS+ 0 0 -61.1 -37.0 180.0 53.0 123.8 27.8 0 0.0 338 -2.4 0 0.0 0 0.0 13 57
335 336 TYR Y H H > TS+ 0 0 -63.9 -48.4 179.9 47.0 108.6 20.5 102 -1.7 339 -2.3 0 0.0 0 0.0 11 48
336 337 GLN Q H H > TS+ 0 0 -62.6 -34.7 179.6 53.6 111.7 29.7 0 0.0 340 -1.9 0 0.0 0 0.0 8 46
337 338 ALA A H H X TS+ 0 0 -65.6 -53.3 -179.8 41.0 112.1 16.3 333 -2.3 341 -1.2 0 0.0 0 0.0 16 60
338 339 VAL V H H X TS+ 0 0 -65.1 -30.8 179.3 57.2 113.4 31.6 334 -2.4 342 -2.5 0 0.0 0 0.0 12 66
339 340 ARG R H H X TS+ 0 0 -67.5 -36.9 179.6 57.8 99.2 30.1 335 -2.3 343 -3.3 0 0.0 0 0.0 9 54
340 341 GLU E H H X TS+ 0 0 -61.8 -36.1 178.8 44.0 110.6 26.7 336 -1.9 344 -2.0 0 0.0 0 0.0 12 51
341 342 MET M H H X TS+ 0 0 -72.2 -48.9 179.7 46.6 115.8 17.5 337 -1.2 345 -2.9 0 0.0 0 0.0 15 62
342 343 GLN Q H H X TS+ 0 0 -57.0 -52.1 -179.7 45.3 115.7 18.6 338 -2.5 346 -2.3 0 0.0 0 0.0 12 60
343 344 ASP D H H X TS+ 0 0 -58.9 -47.7 -179.3 45.4 116.3 21.9 339 -3.3 347 -1.7 0 0.0 0 0.0 9 42
344 345 GLY G H H X TS+ 0 0 -64.1 -45.9 -179.7 48.3 113.3 23.5 340 -2.0 348 -2.7 0 0.0 0 0.0 12 52
345 346 ILE I H H X TS+ 0 0 -63.6 -39.3 179.3 53.5 108.9 28.6 341 -2.9 349 -1.8 0 0.0 0 0.0 10 63
346 347 LEU L H H X TS+ 0 0 -62.1 -41.3 179.9 43.7 113.6 24.7 342 -2.3 350 -1.5 0 0.0 0 0.0 10 51
347 348 GLU E H H X TS+ 0 0 -71.0 -42.0 179.8 53.9 110.0 25.9 343 -1.7 351 -2.9 0 0.0 0 0.0 8 42
348 349 MET M H H X TS+ 0 0 -62.1 -31.9 178.7 51.1 108.6 32.4 344 -2.7 352 -2.0 0 0.0 0 0.0 10 53
349 350 ILE I H H X TS+ 0 0 -71.7 -37.7 178.4 49.3 109.8 27.7 345 -1.8 353 -2.2 0 0.0 0 0.0 10 46
350 351 LYS K H H X TS+ 0 0 -64.5 -45.6 179.9 49.1 111.7 20.5 346 -1.5 354 -1.6 0 0.0 0 0.0 8 33
351 352 MET M H H X TS+ 0 0 -60.9 -39.6 179.4 52.7 109.3 29.4 347 -2.9 355 -1.7 0 0.0 0 0.0 9 32
352 353 GLU E H H < TS+ 0 0 -62.3 -45.8 -179.6 49.6 108.6 21.2 348 -2.0 0 0.0 0 0.0 0 0.0 11 36
353 354 LYS K H H < TS+ 0 0 -63.5 -30.8 -179.3 41.9 116.8 36.3 349 -2.2 0 0.0 0 0.0 0 0.0 6 28
354 355 ALA A H H < TS+ 0 0 -90.7 -17.9 -178.9 110.7 91.5 49.3 350 -1.6 0 0.0 0 0.0 0 0.0 6 16
355 356 ALA A h < T 0 0 -60.4 147.9 -179.9 999.9 999.9 101.5 351 -1.7 0 0.0 0 0.0 0 0.0 7 21
356 357 ALA A 0 0 -70.7 999.9 999.9 999.9 999.9 25.1 0 0.0 0 0.0 0 0.0 0 0.0 3 16
1bg0-.pdb
1BG0 KINASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHH TT HHHHH HHHHHHHTT B TT BHHHHHHHHHH TT SS SSTTHHHHTHHHHHHHHHHHTT TT Kabs/Sand
chirality -+++++++++++++++++++-+-++++++-+++++++++---+-+--+++++++++++++-+-+-----++++++++++++++++++--+--++----- chirality
bends SSSSSSSSSSSSSSSS SS SSSSS SSSSSSSSS SS SSSSSSSSSS SS SS SSSSSSSSS SSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33< >33< >33< >33< >33< >>><<3< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXX<<<< >>>4<<<>>>>X<<<< >>>44<<< >4>><44>XX>XX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHhTTt hHHHHHhhHHHHHHHhTtBtTTt hHHHHHHHHHHhTTtSS StThHHHHhHHHHHHHHHHHhTt tTTt summary
sequence VDQATLDKLEAGFKKLQEASDCKSLLKKHLTKDVFDSIKNKKTGMGATLLDVIQSGVENLDSGVGIYAPDAESYRTFGPLFDPIIDDYHGGFKLTDKHPP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGG BS TT SSEEEEEEEEEE BTT GGG HHHHHHHHHHHHHHHTT GGG EEEESTT HHHHHHHHHTT S S HHHHTTT Kabs/Sand
chirality +----+++---+++-++++--+--------++---+++--+++++++++++++++++--++++-----+++--+++++++++-++---+--+++++-+++ chirality
bends SSS S SS SS SS SSS SSSSSSSSSSSSSSSSS SSS SSS SSSSSSSSSSS S S SSSSSSS bends
turns TTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >>3<< >>><<<>>3<< >33< >33< >>3<< > 3-turns
bridge-2 BBBBBBBB bridge-2
bridge-1 B A*AAAAA C CCCC bridge-1
sheets AAAAAAAAAA AAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXX<<<< >>44<< 4-turns
summary gGGGg BStTTtSeEEEEEEEEEE BTTt gGGGghHHHHHHHHHHHHHHHhGggGGGg EEEEeTTthHHHHHHHHHhTtS S hHHHHhTTtt summary
sequence KQWGDINTLVGLDPAGQFIISTRVRCGRSLQGYPFNPCLTAEQYKEMEEKVSSTLSSMEDELKGTYYPLTGMSKATQQQLIDDHFLFKEGDRFLQTANAC sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTTTTT EEEE TTSSEEEEESSSSSEEEEEEEES BHHHHHHHHHHHHHHHHTTS B EETTTEE SSGGG BT EEEEEEE HHHHTTHHHHHHHH Kabs/Sand
chirality +-+++++--+--+-+++----+-+-+----++-+-++++++++++++++++++++---+--++-+-+-+-+++++-++-+--+-+++++++-++++++++ chirality
bends SSSSS SSSSS SSSSS SS SSSSSSSSSSSSSSSSSSS SSS S SSSSS SS SSSSSSSSSSSSSS bends
turns TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTT TTTTTTTTTTTTTTT turns
5-turns > 5-turns
3-turns 3><><3< >33< >33< >>33><3< >> 3-turns
bridge-2 DDDD EEEEE EEEEE dE E GGGGG bridge-2
bridge-1 CCCC DDDD BBBBBBBB B C FF FF d AAAAAA bridge-1
sheets AAAA AAAAA AAAAAAAA BB BB AAAAAAA sheets
4-turns >>>>XXXXXXXXXX444< >>44<<>>>>XXXX< 4-turns
summary TTTTTTeEEEEeTTteEEEEEeSSSeEEEEEEEEe hHHHHHHHHHHHHHHHHhTt BeEETTTEEe SgGGGgBTt EEEEEEEhHHHHhhHHHHHHHH summary
sequence RYWPTGRGIFHNDAKTFLVWVNEEDHLRIISMQKGGDLKTVYKRLVTAVDNIESKLPFSHDDRFGFLTFCPTNLGTTMRASVHIQLPKLAKDRKVLEDIA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHTTEEEEBTTBTTS BTTEEEEEE SSS HHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ++-+--+--+--++-----+---+--+++++--+++++++++++++++++++++ chirality
bends SSSS SSSSSS SSS SSS SSSSSSSSSSSSSSSSSSSSS bends
turns TTTTT TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5555< 5-turns
3-turns ><<< >33X33< >33< 3-turns
bridge-2 G HHHH bridge-2
bridge-1 HHHHF F G GGGGG bridge-1
sheets AAAA AAAAAA sheets
4-turns <<< >>>>XXXXXXXXXXXXXXX<<<< 4-turns
summary HHheEEEEBTTBTTt BTeEEEEEEe SSShHHHHHHHHHHHHHHHHHHHHHh summary
sequence SKFNLQVRGTRGEHTESEGGVYDISNKRRLGLTEYQAVREMQDGILEMIKMEKAAA sequence
310 320 330 340 350