Secondary structure calculation program - copyright by David Keith Smith, 1989
1nksA.pdb
1NKS KINASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 194
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 MET M 0 0 999.9 150.6 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 34
2 A 2 LYS K E E Aa - 87 0 -71.5 134.6 176.9 -137.4 999.9 130.5 86 -2.5 88 -2.9 0 0.0 0 0.0 11 43
3 A 3 ILE I E E Aa - 88 0 -99.7 135.0 178.0 -176.8 21.5 142.9 0 0.0 117 -2.4 0 0.0 118 -1.1 13 59
4 A 4 GLY G E E Aab - 89 118 -125.0 131.2 178.6 -148.1 15.5 168.9 88 -2.6 90 -3.3 0 0.0 6 -0.7 14 70
5 A 5 ILE I E E Aab - 90 119 -104.1 117.7 179.7 -161.2 11.7 155.4 118 -2.9 120 -3.5 0 0.0 7 -0.6 12 72
6 A 6 VAL V E E Aab + 91 120 -98.7 117.7 -178.4 168.0 18.6 151.5 90 -3.4 92 -1.7 4 -0.7 0 0.0 13 74
7 A 7 THR T E E Aab + 92 121 -126.6 162.4 177.7 161.1 7.4 149.4 120 -2.0 122 -2.8 5 -0.6 0 0.0 13 70
8 A 8 GLY G E E A b - 0 122 -170.6 151.5 174.8 -106.4 40.2 155.0 92 -0.5 0 0.0 0 0.0 0 0.0 13 65
9 A 9 ILE I e > T - 0 0 -80.7 156.4 -177.3 -74.6 62.5 116.8 122 -0.7 12 -1.0 0 0.0 0 0.0 14 62
10 A 10 PRO P T T 3 TS+ 0 0 -54.9 136.4 179.3 31.6 117.9 106.3 0 0.0 0 0.0 0 0.0 0 0.0 5 60
11 A 11 GLY G T T 3 TS+ 0 0 93.0 13.5 178.7 107.9 80.9 53.3 0 0.0 0 0.0 0 0.0 0 0.0 9 56
12 A 12 VAL V S t < TS- 0 0 -98.4 -6.1 179.8 -109.4 90.4 57.4 9 -1.0 0 0.0 0 0.0 0 0.0 11 57
13 A 13 GLY G h > T + 0 0 85.6 28.8 177.5 155.6 61.0 41.4 0 0.0 17 -2.7 0 0.0 0 0.0 8 51
14 A 14 LYS K H H > T + 0 0 -56.6 -42.0 -176.1 52.4 68.6 31.1 0 0.0 18 -2.6 0 0.0 0 0.0 10 54
15 A 15 SER S H H > TS+ 0 0 -70.4 -29.2 177.8 46.9 111.3 33.1 0 0.0 19 -1.5 0 0.0 0 0.0 6 46
16 A 16 THR T H H > TS+ 0 0 -70.2 -51.5 179.0 48.4 112.9 17.8 0 0.0 20 -2.3 0 0.0 0 0.0 8 42
17 A 17 VAL V H H X TS+ 0 0 -55.2 -43.2 179.3 53.1 110.4 22.2 13 -2.7 21 -2.4 0 0.0 0 0.0 13 49
18 A 18 LEU L H H X TS+ 0 0 -61.5 -35.1 177.0 53.9 105.4 31.4 14 -2.6 22 -1.8 0 0.0 0 0.0 9 52
19 A 19 ALA A H H X TS+ 0 0 -63.3 -53.7 177.0 50.0 107.5 13.2 15 -1.5 23 -2.6 0 0.0 0 0.0 8 36
20 A 20 LYS K H H X TS+ 0 0 -53.6 -43.6 178.1 55.7 106.5 20.8 16 -2.3 24 -2.5 0 0.0 0 0.0 11 38
21 A 21 VAL V H H X TS+ 0 0 -54.7 -43.3 179.3 46.3 110.6 17.4 17 -2.4 25 -2.1 0 0.0 0 0.0 13 51
22 A 22 LYS K H H X TS+ 0 0 -64.2 -45.9 178.3 44.2 115.5 21.4 18 -1.8 26 -1.9 0 0.0 0 0.0 10 41
23 A 23 GLU E H H X > TS+ 0 0 -64.0 -60.3 177.3 48.8 113.8 5.2 19 -2.6 27 -2.4 0 0.0 26 -0.7 8 29
24 A 24 ILE I H H < 3 TS+ 0 0 -48.9 -40.4 -178.4 46.6 114.6 31.7 20 -2.5 0 0.0 0 0.0 0 0.0 8 33
25 A 25 LEU L H H < >>TS+ 0 0 -73.6 -30.5 -179.1 52.4 110.2 32.3 21 -2.1 30 -2.7 0 0.0 28 -0.7 11 35
26 A 26 ASP D H H < X5TS+ 0 0 -66.0 -42.7 175.9 56.8 104.1 17.8 22 -1.9 29 -2.2 23 -0.7 28 -1.5 10 23
27 A 27 ASN N T h < 35TS+ 0 0 -78.5 40.0 179.9 43.8 111.2 101.6 23 -2.4 0 0.0 0 0.0 0 0.0 7 18
28 A 28 GLN Q T T <5TS- 0 0 -161.2 -4.4 179.7 -121.5 112.0 88.8 26 -1.5 0 0.0 25 -0.7 0 0.0 6 20
29 A 29 GLY G T T <5T + 0 0 56.8 31.2 176.7 158.7 55.5 37.7 26 -2.2 0 0.0 0 0.0 0 0.0 6 18
30 A 30 ILE I t Ac T - 91 0 -93.3 116.6 -175.9 -147.0 14.6 148.3 0 0.0 40 -3.1 0 0.0 0 0.0 9 45
37 A 37 TYR Y H H > TS+ 0 0 -54.8 -45.2 177.4 47.8 98.5 20.9 91 -2.0 41 -2.4 35 -0.6 0 0.0 10 59
38 A 38 GLY G H H > TS+ 0 0 -63.4 -39.8 178.1 51.3 111.8 20.7 0 0.0 42 -3.1 0 0.0 0 0.0 7 50
39 A 39 ASP D H H > TS+ 0 0 -63.8 -40.8 179.4 48.6 109.9 20.2 0 0.0 43 -2.6 0 0.0 0 0.0 8 36
40 A 40 PHE F H H X TS+ 0 0 -65.3 -32.7 177.3 51.1 111.6 30.8 36 -3.1 44 -2.0 0 0.0 0 0.0 11 47
41 A 41 MET M H H X TS+ 0 0 -63.7 -53.7 179.3 50.1 109.0 14.0 37 -2.4 45 -2.3 0 0.0 0 0.0 11 50
42 A 42 LEU L H H X TS+ 0 0 -48.4 -51.1 176.1 53.2 108.5 27.3 38 -3.1 46 -2.2 0 0.0 0 0.0 13 39
43 A 43 ALA A H H X TS+ 0 0 -51.7 -51.6 179.6 48.1 109.0 23.8 39 -2.6 47 -2.0 0 0.0 0 0.0 8 35
44 A 44 THR T H H < TS+ 0 0 -62.1 -35.2 178.3 56.5 108.6 29.0 40 -2.0 0 0.0 0 0.0 0 0.0 11 39
45 A 45 ALA A H H < >>TS+ 0 0 -57.1 -64.6 178.5 46.2 107.9 8.7 41 -2.3 48 -1.2 0 0.0 50 -0.9 13 38
46 A 46 LEU L H H < >5TS+ 0 0 -39.0 -58.2 178.0 53.9 109.3 30.7 42 -2.2 49 -2.0 0 0.0 48 -1.0 10 28
47 A 47 LYS K T h < 35TS+ 0 0 -73.0 33.0 -179.7 39.0 116.6 97.1 43 -2.0 0 0.0 0 0.0 0 0.0 6 21
48 A 48 LEU L T T <5TS- 0 0 -162.0 2.8 179.3 -120.3 111.0 86.8 45 -1.2 0 0.0 46 -1.0 0 0.0 6 25
49 A 49 GLY G T T <5TS+ 0 0 64.6 -3.4 -178.5 122.2 76.4 73.6 46 -2.0 0 0.0 0 0.0 0 0.0 7 21
50 A 50 TYR Y S t TS- 0 0 -147.3 163.3 -179.3 -101.9 83.3 165.8 0 0.0 57 -1.9 0 0.0 0 0.0 7 24
54 A 54 ARG R H H > TS+ 0 0 -52.3 -43.1 -179.2 54.4 120.9 22.7 0 0.0 58 -2.1 0 0.0 0 0.0 8 26
55 A 55 ASP D H H 4 TS+ 0 0 -58.4 -48.3 -179.3 42.1 109.3 28.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
56 A 56 GLU E H H 4 > TS+ 0 0 -75.4 -19.2 176.7 57.5 112.5 43.2 0 0.0 59 -0.6 0 0.0 0 0.0 9 25
57 A 57 MET M H H < > TS+ 0 0 -72.6 -43.4 178.1 57.3 99.2 23.3 53 -1.9 60 -1.6 0 0.0 0 0.0 13 33
58 A 58 ARG R T h < 3 TS+ 0 0 -68.6 3.8 -179.1 57.8 102.6 69.9 54 -2.1 0 0.0 0 0.0 0 0.0 7 32
59 A 59 LYS K T T < TS+ 0 0 -110.4 -14.0 -178.1 118.2 80.6 60.1 56 -0.6 0 0.0 0 0.0 0 0.0 6 23
60 A 60 LEU L S t < TS- 0 0 -58.0 155.2 178.3 -86.4 75.3 94.2 57 -1.6 0 0.0 0 0.0 0 0.0 8 27
61 A 61 SER S h > T - 0 0 -51.2 161.3 178.6 -111.8 39.1 94.5 0 0.0 65 -2.3 0 0.0 0 0.0 6 17
62 A 62 VAL V H H > TS+ 0 0 -67.3 -46.4 179.6 51.7 119.3 17.3 0 0.0 66 -2.6 0 0.0 0 0.0 6 22
63 A 63 GLU E H H > TS+ 0 0 -56.5 -36.3 -179.7 50.5 110.5 30.7 0 0.0 67 -1.6 0 0.0 0 0.0 6 20
64 A 64 LYS K H H > TS+ 0 0 -68.8 -50.4 176.3 48.5 108.9 15.9 0 0.0 68 -2.4 0 0.0 0 0.0 8 28
65 A 65 GLN Q H H X TS+ 0 0 -52.4 -47.5 177.6 53.1 110.5 19.4 61 -2.3 69 -2.3 0 0.0 0 0.0 11 42
66 A 66 LYS K H H X TS+ 0 0 -55.0 -40.1 176.9 53.3 106.7 27.9 62 -2.6 70 -2.5 0 0.0 0 0.0 8 37
67 A 67 LYS K H H X TS+ 0 0 -56.8 -55.2 178.7 45.6 111.0 14.7 63 -1.6 71 -2.0 0 0.0 0 0.0 8 37
68 A 68 LEU L H H X TS+ 0 0 -58.4 -33.8 -178.3 55.5 110.0 39.7 64 -2.4 72 -1.6 0 0.0 0 0.0 11 47
69 A 69 GLN Q H H X TS+ 0 0 -71.0 -44.0 178.4 43.6 110.6 17.9 65 -2.3 73 -2.6 0 0.0 0 0.0 10 50
70 A 70 ILE I H H X TS+ 0 0 -63.4 -59.3 -179.7 43.1 117.0 8.2 66 -2.5 74 -3.1 0 0.0 0 0.0 11 37
71 A 71 ASP D H H X TS+ 0 0 -53.0 -43.0 180.0 52.7 114.3 25.2 67 -2.0 75 -3.4 0 0.0 0 0.0 9 39
72 A 72 ALA A H H X TS+ 0 0 -61.2 -46.6 178.8 46.3 111.5 9.5 68 -1.6 76 -2.7 0 0.0 0 0.0 12 46
73 A 73 ALA A H H X TS+ 0 0 -55.7 -49.4 -179.8 45.8 115.1 21.3 69 -2.6 77 -1.6 0 0.0 0 0.0 12 50
74 A 74 LYS K H H X TS+ 0 0 -59.0 -46.4 178.6 52.8 112.4 21.4 70 -3.1 78 -2.0 0 0.0 0 0.0 10 37
75 A 75 GLY G H H X TS+ 0 0 -55.7 -49.1 -179.9 51.1 106.3 23.5 71 -3.4 79 -2.6 0 0.0 0 0.0 8 44
76 A 76 ILE I H H X TS+ 0 0 -61.9 -31.8 178.9 55.2 106.9 33.5 72 -2.7 80 -1.3 0 0.0 0 0.0 10 49
77 A 77 ALA A H H X TS+ 0 0 -68.5 -40.6 177.1 49.3 107.6 21.1 73 -1.6 81 -1.7 0 0.0 0 0.0 11 45
78 A 78 GLU E H H X > TS+ 0 0 -59.5 -50.9 177.1 55.0 107.6 18.7 74 -2.0 82 -3.0 0 0.0 81 -0.5 8 34
79 A 79 GLU E H H X 3 TS+ 0 0 -50.9 -36.7 -178.8 47.4 109.4 37.1 75 -2.6 83 -1.2 0 0.0 0 0.0 8 38
80 A 80 ALA A H H < 3 TS+ 0 0 -77.0 -32.4 -179.4 46.8 112.7 38.2 76 -1.3 0 0.0 0 0.0 0 0.0 12 36
81 A 81 ARG R H H < X TS+ 0 0 -76.1 -40.3 176.2 49.2 113.9 18.1 77 -1.7 84 -1.1 78 -0.5 0 0.0 8 28
82 A 82 ALA A H H < 3 TS+ 0 0 -61.0 -38.4 -175.9 69.0 99.4 33.0 78 -3.0 0 0.0 0 0.0 0 0.0 7 21
83 A 83 GLY G T h < 3 TS- 0 0 -70.9 7.9 178.8 -149.1 88.4 73.0 79 -1.2 0 0.0 0 0.0 0 0.0 8 23
84 A 84 GLY G t < T + 0 0 59.7 -152.3 -178.9 2.7 56.7 96.5 81 -1.1 0 0.0 0 0.0 0 0.0 7 21
85 A 85 GLU E S S S+ 0 0 -60.4 162.8 179.6 70.8 99.0 103.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
86 A 86 GLY G S e S- 0 0 120.6 176.6 -176.7 -65.3 79.7 126.2 0 0.0 2 -2.5 0 0.0 88 -0.5 10 39
87 A 87 TYR Y E E Aac - 2 32 -113.5 113.2 177.8 -167.7 31.9 156.4 31 -2.5 33 -1.5 0 0.0 89 -0.5 13 52
88 A 88 LEU L E E Aac - 3 33 -100.6 127.8 -178.6 -162.7 11.9 149.2 2 -2.9 4 -2.6 86 -0.5 0 0.0 13 52
89 A 89 PHE F E E Aac - 4 34 -114.7 130.5 179.3 -153.7 6.3 161.0 33 -2.7 35 -2.1 87 -0.5 91 -0.5 12 69
90 A 90 ILE I E E Aac - 5 35 -103.3 128.0 -179.2 -154.1 5.8 150.2 4 -3.3 6 -3.4 0 0.0 92 -0.8 12 62
91 A 91 ASP D E E Aac + 6 36 -102.0 107.9 179.0 118.2 44.7 155.6 35 -3.0 37 -2.0 89 -0.5 0 0.0 11 58
92 A 92 THR T E E Aa - 7 0 -149.0 -165.9 -178.4 -83.9 59.3 138.0 6 -1.7 8 -0.5 90 -0.8 0 0.0 12 55
93 A 93 HIS H - 0 0 -115.7 150.3 173.5 -153.9 7.0 154.4 0 0.0 0 0.0 0 0.0 0 0.0 12 60
94 A 94 ALA A S e S- 0 0 -81.2 -39.8 174.8 -0.4 93.0 33.3 0 0.0 105 -2.9 0 0.0 106 -0.6 15 61
95 A 95 VAL V E E BD - 104 0 -143.9 154.2 176.9 -149.3 67.6 166.3 0 0.0 0 0.0 0 0.0 0 0.0 14 51
96 A 96 ILE I E E BD - 103 0 -123.5 133.4 178.3 -127.1 20.5 168.0 103 -1.9 103 -2.6 0 0.0 0 0.0 10 43
97 A 97 ARG R E E BD + 102 0 -82.4 127.1 -179.2 164.3 40.8 133.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
98 A 98 THR T E E BD > T - 101 0 -134.4 164.4 -179.4 -101.3 53.7 157.8 101 -1.4 101 -2.2 0 0.0 0 0.0 7 25
99 A 99 PRO P T T 3 TS+ 0 0 -59.9 -28.5 175.7 54.1 123.7 33.9 0 0.0 0 0.0 0 0.0 0 0.0 4 14
100 A 100 SER S T T 3 TS- 0 0 -80.7 -8.4 -178.7 -95.5 123.6 61.5 0 0.0 0 0.0 0 0.0 0 0.0 4 11
101 A 101 GLY G E E BD < TS- 98 0 123.2 -162.0 -178.6 -16.1 71.7 144.6 98 -2.2 98 -1.4 0 0.0 0 0.0 6 22
102 A 102 TYR Y E E BD - 97 0 -84.0 123.1 179.1 -155.4 57.0 132.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33
103 A 103 LEU L E E BD - 96 0 -101.8 117.8 179.4 -122.9 20.7 154.1 96 -2.6 96 -1.9 0 0.0 0 0.0 8 38
104 A 104 PRO P E E BD - 95 0 -54.5 132.8 179.8 -154.2 14.0 112.2 0 0.0 0 0.0 0 0.0 0 0.0 11 47
105 A 105 GLY G S e S+ 0 0 -83.7 -21.4 -179.3 43.0 89.0 41.7 94 -2.9 0 0.0 0 0.0 0 0.0 9 57
106 A 106 LEU L S S S+ 0 0 -121.9 64.3 179.3 178.1 76.2 121.4 94 -0.6 0 0.0 0 0.0 0 0.0 12 64
107 A 107 PRO P h > > T - 0 0 -62.8 160.3 -179.1 -98.8 46.1 102.3 0 0.0 111 -2.8 0 0.0 110 -2.6 8 49
108 A 108 SER S H H > 3 TS+ 0 0 -46.5 -51.3 -177.8 59.1 122.1 27.5 0 0.0 112 -1.9 0 0.0 0 0.0 8 36
109 A 109 TYR Y H H 4 3 TS+ 0 0 -60.2 -12.4 175.2 35.1 117.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
110 A 110 VAL V H H > X TS+ 0 0 -103.8 -50.4 -177.2 50.0 114.4 39.2 107 -2.6 114 -1.4 0 0.0 113 -1.4 11 51
111 A 111 ILE I H H X > TS+ 0 0 -61.2 -39.3 178.4 54.3 108.6 16.3 107 -2.8 115 -2.3 0 0.0 114 -0.6 14 53
112 A 112 THR T H H < 3 TS+ 0 0 -68.9 -11.9 177.6 53.5 106.2 47.8 108 -1.9 0 0.0 0 0.0 0 0.0 9 39
113 A 113 GLU E H H 4 < TS+ 0 0 -89.6 -27.4 -178.1 38.4 115.5 40.5 110 -1.4 0 0.0 0 0.0 0 0.0 10 40
114 A 114 ILE I H H < < TS- 0 0 -88.7 -40.6 179.3 -164.1 81.9 32.9 110 -1.4 0 0.0 111 -0.6 0 0.0 10 54
115 A 115 ASN N h < T - 0 0 50.5 65.6 179.6 -169.8 15.1 23.2 111 -2.3 0 0.0 0 0.0 0 0.0 11 47
116 A 116 PRO P - 0 0 -71.5 174.3 176.0 -141.9 26.2 101.2 0 0.0 0 0.0 0 0.0 0 0.0 12 60
117 A 117 SER S S e S+ 0 0 -100.9 -36.9 -176.7 27.2 86.1 49.6 3 -2.4 171 -2.0 0 0.0 0 0.0 10 44
118 A 118 VAL V E E Abe - 4 171 -133.6 140.2 175.8 -166.2 55.2 176.8 3 -1.1 5 -2.9 0 0.0 0 0.0 13 51
119 A 119 ILE I E E Abe - 5 172 -121.7 111.6 179.0 -155.9 23.9 171.1 171 -1.6 173 -2.2 0 0.0 0 0.0 15 64
120 A 120 PHE F E E Abe - 6 173 -95.2 143.4 176.7 -158.2 9.4 138.4 5 -3.5 7 -2.0 0 0.0 122 -0.6 14 68
121 A 121 LEU L E E Abe - 7 174 -116.2 107.4 178.2 -155.0 9.4 161.5 173 -3.3 175 -2.4 0 0.0 123 -0.6 15 64
122 A 122 LEU L E E Abe + 8 175 -80.9 119.5 175.2 174.8 22.5 136.6 7 -2.8 9 -0.7 120 -0.6 0 0.0 14 65
123 A 123 GLU E E E A e + 0 176 -116.7 168.5 178.2 178.4 9.6 140.7 175 -2.4 177 -3.0 121 -0.6 0 0.0 12 55
124 A 124 ALA A - 0 0 -152.7 173.2 177.3 -70.3 46.4 153.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
125 A 125 ASP D h > > T - 0 0 -74.0 135.5 178.0 -126.0 42.3 124.1 0 0.0 129 -2.1 0 0.0 128 -0.8 6 38
126 A 126 PRO P H H > 3 TS+ 0 0 -45.5 -42.8 177.7 56.1 111.0 28.8 0 0.0 130 -2.3 0 0.0 0 0.0 9 35
127 A 127 LYS K H H > 3 TS+ 0 0 -57.2 -43.9 177.1 48.9 106.3 27.6 0 0.0 131 -2.0 0 0.0 0 0.0 7 31
128 A 128 ILE I H H > < TS+ 0 0 -63.4 -45.5 178.8 52.5 109.3 23.6 125 -0.8 132 -1.9 0 0.0 0 0.0 9 37
129 A 129 ILE I H H < TS+ 0 0 -58.9 -43.4 178.0 47.0 111.3 23.9 125 -2.1 0 0.0 0 0.0 0 0.0 11 44
130 A 130 LEU L H H X > TS+ 0 0 -64.9 -39.0 179.7 57.0 107.8 30.8 126 -2.3 134 -1.0 0 0.0 133 -1.0 12 34
131 A 131 SER S H H X 3 TS+ 0 0 -62.6 -36.0 176.1 47.6 106.8 30.7 127 -2.0 135 -0.9 0 0.0 0 0.0 8 29
132 A 132 ARG R H H X 3 TS+ 0 0 -79.1 -10.3 -178.4 70.0 102.1 56.6 128 -1.9 136 -1.0 0 0.0 0 0.0 9 37
133 A 133 GLN Q H H 4 < TS+ 0 0 -78.6 -35.3 179.3 36.9 103.7 33.6 130 -1.0 0 0.0 0 0.0 0 0.0 12 31
134 A 134 LYS K H H < TS+ 0 0 -85.5 -24.8 -178.1 60.3 115.2 42.5 130 -1.0 0 0.0 0 0.0 0 0.0 8 24
135 A 135 ARG R H H < TS+ 0 0 -76.6 -29.5 -178.9 42.0 103.1 43.5 131 -0.9 0 0.0 0 0.0 0 0.0 6 21
136 A 136 ASP D h X T + 0 0 -142.3 130.6 -179.6 172.8 41.0 162.4 132 -1.0 140 -0.6 0 0.0 0 0.0 8 22
137 A 137 THR T T T 4 T + 0 0 -118.4 44.3 163.3 127.4 39.1 113.9 0 0.0 0 0.0 0 0.0 0 0.0 8 18
138 A 138 THR T T T 4 TS- 0 0 -60.0 -7.3 -121.1 -5.6 118.2 42.5 0 0.0 0 0.0 0 0.0 0 0.0 4 15
139 A 139 ARG R T T 4 TS- 0 0 160.4 -68.4 -173.6 -134.3 96.3 58.8 0 0.0 0 0.0 0 0.0 0 0.0 5 16
140 A 140 ASN N t < T - 0 0 63.8 88.2 178.6 -151.0 19.2 14.6 136 -0.6 142 -0.7 0 0.0 0 0.0 8 18
141 A 141 ARG R + 0 0 -94.2 113.2 179.7 162.6 31.5 137.7 0 0.0 0 0.0 0 0.0 0 0.0 7 28
142 A 142 ASN N + 0 0 -117.4 22.9 178.0 96.8 53.7 97.3 140 -0.7 0 0.0 0 0.0 0 0.0 6 26
143 A 143 ASP D + 0 0 -85.6 -42.0 178.6 76.9 64.9 25.1 0 0.0 145 -1.1 0 0.0 0 0.0 4 32
144 A 144 TYR Y + 0 0 -73.4 104.4 -179.4 173.1 57.5 120.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
145 A 145 SER S - 0 0 -75.1 -56.8 -179.7 -13.6 61.8 14.5 143 -1.1 0 0.0 0 0.0 0 0.0 6 25
146 A 146 ASP D S h > > TS- 0 0 -137.3 -175.9 -179.0 -89.9 76.3 141.5 0 0.0 150 -0.9 0 0.0 149 -0.5 7 25
147 A 147 GLU E H H > 3 TS+ 0 0 -75.3 -16.1 179.7 68.1 116.2 47.2 0 0.0 151 -2.2 0 0.0 0 0.0 10 30
148 A 148 SER S H H > 3 TS+ 0 0 -72.8 -31.8 177.1 48.3 100.3 30.9 0 0.0 152 -1.7 0 0.0 0 0.0 6 21
149 A 149 VAL V H H > < TS+ 0 0 -73.0 -31.6 176.8 53.0 109.8 34.8 146 -0.5 153 -1.9 0 0.0 0 0.0 9 35
150 A 150 ILE I H H X TS+ 0 0 -65.6 -47.8 177.4 49.9 109.2 18.4 146 -0.9 154 -2.3 0 0.0 0 0.0 10 40
151 A 151 LEU L H H X TS+ 0 0 -54.7 -48.2 -179.9 48.1 111.1 27.7 147 -2.2 155 -2.2 0 0.0 0 0.0 9 35
152 A 152 GLU E H H X TS+ 0 0 -62.8 -43.0 -179.7 50.9 110.5 27.6 148 -1.7 156 -2.6 0 0.0 0 0.0 8 35
153 A 153 THR T H H X TS+ 0 0 -64.0 -42.5 176.8 52.4 109.6 26.5 149 -1.9 157 -2.2 0 0.0 0 0.0 11 45
154 A 154 ILE I H H X TS+ 0 0 -59.4 -49.3 179.8 46.0 110.7 21.3 150 -2.3 158 -2.1 0 0.0 0 0.0 10 50
155 A 155 ASN N H H X TS+ 0 0 -63.4 -43.9 -178.6 50.4 111.9 22.5 151 -2.2 159 -2.9 0 0.0 0 0.0 8 39
156 A 156 PHE F H H X TS+ 0 0 -62.7 -37.7 178.0 52.2 109.7 22.4 152 -2.6 160 -3.1 0 0.0 0 0.0 10 39
157 A 157 ALA A H H X TS+ 0 0 -62.2 -40.1 179.8 46.5 111.4 23.8 153 -2.2 161 -2.5 0 0.0 0 0.0 13 49
158 A 158 ARG R H H X TS+ 0 0 -69.2 -43.2 -178.6 50.1 112.5 22.6 154 -2.1 162 -2.4 0 0.0 0 0.0 10 46
159 A 159 TYR Y H H X TS+ 0 0 -58.9 -50.2 -178.6 40.8 116.6 23.3 155 -2.9 163 -2.0 0 0.0 0 0.0 8 39
160 A 160 ALA A H H X TS+ 0 0 -68.1 -40.2 -179.8 50.9 113.7 36.8 156 -3.1 164 -2.6 0 0.0 0 0.0 12 48
161 A 161 ALA A H H X TS+ 0 0 -65.1 -41.4 179.0 49.5 111.6 20.0 157 -2.5 165 -2.7 0 0.0 0 0.0 13 54
162 A 162 THR T H H X TS+ 0 0 -64.1 -42.5 -179.7 49.4 111.0 22.7 158 -2.4 166 -3.0 0 0.0 0 0.0 9 42
163 A 163 ALA A H H X TS+ 0 0 -63.6 -42.8 178.3 46.9 112.6 19.6 159 -2.0 167 -1.7 0 0.0 0 0.0 8 38
164 A 164 SER S H H X TS+ 0 0 -63.7 -38.6 179.7 52.7 111.0 26.7 160 -2.6 168 -1.8 0 0.0 0 0.0 12 45
165 A 165 ALA A H H X >TS+ 0 0 -64.3 -41.7 177.5 54.0 106.1 22.2 161 -2.7 169 -2.8 0 0.0 170 -1.6 12 44
166 A 166 VAL V H H < 5TS+ 0 0 -61.5 -35.0 -179.2 49.8 108.7 29.3 162 -3.0 0 0.0 0 0.0 0 0.0 8 33
167 A 167 LEU L H H < 5TS+ 0 0 -73.9 -35.4 -178.7 29.9 122.2 30.5 163 -1.7 0 0.0 0 0.0 0 0.0 9 30
168 A 168 ALA A H H < 5TS- 0 0 -95.4 -14.6 -176.2 -119.2 104.1 53.1 164 -1.8 0 0.0 0 0.0 0 0.0 10 34
169 A 169 GLY G T h < 5T + 0 0 75.4 49.6 179.3 140.0 65.5 20.9 165 -2.8 0 0.0 0 0.0 0 0.0 8 31
170 A 170 SER S t T - 0 0 -123.2 119.0 175.3 -165.4 50.6 148.2 0 0.0 184 -1.5 0 0.0 0 0.0 6 28
182 A 182 PRO P T h > 3 TS+ 0 0 -65.2 -3.4 -178.6 74.4 85.3 60.8 0 0.0 186 -1.7 0 0.0 0 0.0 12 34
183 A 183 SER S H H > 3 TS+ 0 0 -84.9 -27.8 178.7 66.7 81.9 37.8 0 0.0 187 -3.2 0 0.0 0 0.0 9 33
184 A 184 ILE I H H > < TS+ 0 0 -55.6 -49.0 176.9 39.0 109.6 9.6 181 -1.5 188 -2.1 0 0.0 0 0.0 9 34
185 A 185 ALA A H H > TS+ 0 0 -62.5 -48.1 -177.8 50.5 115.6 24.3 0 0.0 189 -2.8 0 0.0 0 0.0 12 45
186 A 186 ALA A H H X TS+ 0 0 -64.9 -30.9 179.8 51.9 108.9 28.9 182 -1.7 190 -2.5 0 0.0 0 0.0 12 55
187 A 187 ASN N H H X TS+ 0 0 -69.3 -40.2 178.8 49.2 110.4 14.1 183 -3.2 191 -3.7 0 0.0 0 0.0 9 40
188 A 188 GLU E H H X TS+ 0 0 -62.1 -40.3 179.5 51.2 109.8 26.3 184 -2.1 192 -2.4 0 0.0 0 0.0 9 42
189 A 189 ILE I H H X TS+ 0 0 -59.0 -49.4 179.0 43.3 114.9 10.7 185 -2.8 193 -0.7 0 0.0 0 0.0 11 58
190 A 190 ILE I H H X > TS+ 0 0 -61.0 -50.7 177.4 52.5 111.5 20.4 186 -2.5 193 -1.6 0 0.0 194 -0.7 9 52
191 A 191 ARG R H H < > TS+ 0 0 -49.0 -52.0 -177.8 55.0 107.0 16.3 187 -3.7 194 -1.8 0 0.0 0 0.0 7 33
192 A 192 SER S H H < 3 TS+ 0 0 -57.2 -21.3 -179.5 58.8 101.2 46.9 188 -2.4 0 0.0 0 0.0 0 0.0 7 36
193 A 193 MET M H H < < T 0 0 -87.7 -14.6 178.2 999.9 999.9 46.6 190 -1.6 0 0.0 189 -0.7 0 0.0 9 41
194 A 194 LYS K h < < T 0 0 -59.5 999.9 999.9 999.9 999.9 9.9 191 -1.8 0 0.0 190 -0.7 0 0.0 4 28
1nksA.pdb
1NKS KINASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEE TTS HHHHHHHHHHHHHTTT EEEEEHHHHHHHHHHTTTS SSHHHHTTS HHHHHHHHHHHHHHHHHHHHHT SSEEEEEE SEEEETT Kabs/Sand
chirality ----++--++-+++++++++++++++-+-+-----+++++++++++-+--+-++++++--+++++++++++++++++++++-++-----+-----+-+- chirality
bends SSS SSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS SS S SS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >3>X3<< >>3<< >>3<< >33X33< >33 3-turns
bridge-2 bbbbb ccccc bridge-2
bridge-1 aaaaaa ccccc aaaaaa DDDD bridge-1
sheets AAAAAAA AAAAA AAAAAA BBBB sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXX<<<< >>44<< >>>>XXXXXXXXXXXXXXX<<<< 4-turns
summary EEEEEEEeTTthHHHHHHHHHHHHHhTTteEEEEEHHHHHHHHHHhTTt ShHHHHhTthHHHHHHHHHHHHHHHHHHHHHhtSeEEEEEE eEEEETT summary
sequence MKIGIVTGIPGVGKSTVLAKVKEILDNQGINNKIINYGDFMLATALKLGYAKDRDEMRKLSVEKQKKLQIDAAKGIAEEARAGGEGYLFIDTHAVIRTPS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEESS HHHHHHH SEEEEEE HHHHHHHHHH TTT SHHHHHHHHHHHHHHHHHHHHHHT EEEEEE SS THHHHHHHHHHH Kabs/Sand
chirality ----++-++++++---+----++--++++++++++++---++++--+++++++++++++++++++++-+---------++-+++++++++++ chirality
bends S SS SSSSSSS S SSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSS bends
turns T TTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns < >33X>3<< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 eeeeee bridge-2
bridge-1 DDDD bbbbb eeeeee bridge-1
sheets BBBB AAAAAA AAAAAA sheets
4-turns >>4>X<4<< >>>>>>>XXXXXXXXXXXXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary EEEEeShHHHHHHHh eEEEEEE hHHHHHHHHHHhTTTt hHHHHHHHHHHHHHHHHHHHHHHhtEEEEEEe SSthHHHHHHHHHHHh summary
sequence GYLPGLPSYVITEINPSVIFLLEADPKIILSRQKRDTTRNRNDYSDESVILETINFARYAATASAVLAGSTVKVIVNVEGDPSIAANEIIRSMK sequence
110 120 130 140 150 160 170 180 190