Secondary structure calculation program - copyright by David Keith Smith, 1989
1kv8A.pdb
1KV8 LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 213
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 3 LEU L 0 0 999.9 142.4 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
2 A 4 PRO P - 0 0 -59.5 139.1 179.2 -126.5 999.9 110.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
3 A 5 MET M E E Aa - 185 0 -85.0 164.5 179.0 -121.3 14.4 115.7 184 -2.7 186 -2.6 0 0.0 0 0.0 10 49
4 A 6 LEU L E E Aa - 186 0 -110.7 128.1 -179.2 -173.1 27.3 158.6 0 0.0 28 -2.6 0 0.0 29 -1.7 13 62
5 A 7 GLN Q E E Aab - 187 29 -122.1 136.4 178.3 -148.9 12.7 163.1 186 -2.7 188 -2.9 0 0.0 0 0.0 13 66
6 A 8 VAL V E E Aab - 188 30 -105.8 130.2 179.4 -142.3 12.7 154.5 29 -2.3 31 -2.6 0 0.0 8 -0.6 12 71
7 A 9 ALA A E E A b - 0 31 -93.0 121.5 178.6 -154.8 5.1 144.6 188 -1.4 9 -1.2 0 0.0 0 0.0 12 74
8 A 10 LEU L E E A b + 0 32 -97.1 89.3 178.9 167.2 22.8 139.4 31 -2.3 33 -1.6 6 -0.6 10 -0.6 14 64
9 A 11 ASP D + 0 0 -97.7 53.9 -179.6 135.9 29.5 113.2 7 -1.2 0 0.0 0 0.0 0 0.0 11 51
10 A 12 ASN N - 0 0 -100.1 155.4 -179.3 -138.4 56.8 132.7 8 -0.6 0 0.0 0 0.0 0 0.0 11 42
11 A 13 GLN Q S S S+ 0 0 -88.0 -17.7 179.3 30.9 85.6 48.0 0 0.0 0 0.0 0 0.0 0 0.0 11 32
12 A 14 THR T S h > TS- 0 0 -138.7 157.2 -179.8 -118.6 78.1 162.5 0 0.0 16 -1.9 0 0.0 0 0.0 9 31
13 A 15 MET M H H > TS+ 0 0 -61.4 -43.8 -179.1 55.1 113.1 25.8 0 0.0 17 -2.6 0 0.0 0 0.0 10 39
14 A 16 ASP D H H > TS+ 0 0 -60.8 -33.8 177.8 50.1 107.9 30.0 0 0.0 18 -0.9 0 0.0 0 0.0 6 28
15 A 17 SER S H H > > TS+ 0 0 -68.1 -42.5 179.3 50.0 110.6 24.1 0 0.0 19 -0.6 0 0.0 18 -0.5 9 34
16 A 18 ALA A H H X > TS+ 0 0 -62.8 -38.6 -179.0 57.1 105.4 27.1 12 -1.9 20 -2.4 0 0.0 19 -1.3 12 47
17 A 19 TYR Y H H X 3 TS+ 0 0 -65.7 -25.4 178.1 69.2 92.0 39.5 13 -2.6 21 -2.5 0 0.0 0 0.0 8 41
18 A 20 GLU E H H < < TS+ 0 0 -59.9 -30.2 179.3 34.4 111.7 33.9 14 -0.9 0 0.0 15 -0.5 0 0.0 8 34
19 A 21 THR T H H X X TS+ 0 0 -90.3 -49.4 -178.9 50.7 116.4 26.8 16 -1.3 23 -2.2 15 -0.6 22 -1.5 12 46
20 A 22 THR T H H X 3 TS+ 0 0 -61.0 -32.5 -179.8 62.1 102.1 32.3 16 -2.4 24 -2.2 0 0.0 0 0.0 8 55
21 A 23 ARG R H H < 3 TS+ 0 0 -65.8 -17.1 -179.9 38.3 113.5 43.3 17 -2.5 0 0.0 0 0.0 0 0.0 7 34
22 A 24 LEU L H H 4 < TS+ 0 0 -99.3 -41.4 -176.2 15.4 132.9 33.5 19 -1.5 0 0.0 0 0.0 0 0.0 9 35
23 A 25 ILE I H H X > TS+ 0 0 -122.5 10.1 180.0 109.2 81.6 69.4 19 -2.2 26 -1.6 0 0.0 27 -0.6 11 47
24 A 26 ALA A G h < > TS+ 0 0 -51.9 -43.1 -179.5 44.1 91.3 26.3 20 -2.2 27 -0.8 0 0.0 0 0.0 10 48
25 A 27 GLU E G G 4 3 TS+ 0 0 -79.1 -8.0 -178.9 63.8 106.3 56.2 0 0.0 0 0.0 0 0.0 0 0.0 6 38
26 A 28 GLU E G G 4 < TS+ 0 0 -93.9 -5.3 -179.4 54.0 101.2 60.8 23 -1.6 0 0.0 0 0.0 0 0.0 8 43
27 A 29 VAL V g < < T - 0 0 -125.1 170.0 -179.3 -142.4 66.1 141.1 24 -0.8 0 0.0 23 -0.6 0 0.0 12 52
28 A 30 ASP D S e S+ 0 0 -101.9 -29.8 -177.9 38.2 86.2 43.8 4 -2.6 56 -1.7 0 0.0 0 0.0 10 47
29 A 31 ILE I E E Abc - 5 56 -130.0 134.1 178.5 -155.6 62.7 170.2 4 -1.7 6 -2.3 0 0.0 31 -0.6 12 58
30 A 32 ILE I E E Abc - 6 57 -109.5 117.8 -178.6 -156.4 18.0 159.8 56 -3.0 58 -2.2 0 0.0 0 0.0 14 65
31 A 33 GLU E E E Abc - 7 58 -101.4 129.2 175.8 -147.0 15.3 145.1 6 -2.6 8 -2.3 29 -0.6 33 -1.2 12 80
32 A 34 VAL V E E Abc - 8 59 -87.6 99.1 -178.4 -138.6 36.1 143.9 58 -3.5 60 -2.3 0 0.0 0 0.0 16 71
33 A 35 GLY G h > T - 0 0 -59.2 157.6 179.4 -109.7 17.6 97.7 8 -1.6 37 -2.4 31 -1.2 0 0.0 13 66
34 A 36 THR T H H > TS+ 0 0 -55.4 -38.2 179.3 57.4 121.3 27.4 0 0.0 38 -2.5 0 0.0 0 0.0 11 53
35 A 37 ILE I H H > TS+ 0 0 -60.7 -39.8 179.5 44.4 108.5 26.9 0 0.0 39 -1.9 0 0.0 0 0.0 11 38
36 A 38 LEU L H H > >TS+ 0 0 -73.3 -34.7 178.5 55.6 110.6 30.1 0 0.0 40 -2.9 0 0.0 41 -0.7 16 45
37 A 39 CYS C H H X 5TS+ 0 0 -61.3 -44.4 -179.8 41.1 113.3 23.5 33 -2.4 41 -1.5 0 0.0 0 0.0 14 48
38 A 40 VAL V H H < 5TS+ 0 0 -74.0 -32.5 -179.8 49.6 117.1 33.5 34 -2.5 0 0.0 0 0.0 0 0.0 8 30
39 A 41 GLY G H H < 5TS+ 0 0 -73.0 -45.5 -177.1 9.0 132.1 20.9 35 -1.9 0 0.0 0 0.0 0 0.0 9 26
40 A 42 GLU E H H < 5TS- 0 0 -112.6 -15.8 -178.4 -133.7 95.8 53.6 36 -2.9 0 0.0 0 0.0 0 0.0 11 33
41 A 43 GLY G h < > > TS+ 0 0 -61.0 -13.9 179.0 83.4 119.8 51.3 0 0.0 46 -1.6 0 0.0 45 -1.0 10 47
43 A 45 ARG R H H > 3 TS+ 0 0 -60.9 -23.3 179.9 67.5 81.4 37.3 0 0.0 47 -2.9 0 0.0 0 0.0 8 43
44 A 46 ALA A H H > < TS+ 0 0 -62.1 -40.3 -179.8 47.0 100.2 26.2 41 -2.1 48 -2.2 0 0.0 0 0.0 12 51
45 A 47 VAL V H H > < TS+ 0 0 -66.7 -47.2 -179.2 46.4 114.0 20.7 42 -1.0 49 -2.3 0 0.0 0 0.0 15 60
46 A 48 ARG R H H X TS+ 0 0 -62.5 -44.6 -179.4 47.7 114.4 23.9 42 -1.6 50 -1.7 0 0.0 0 0.0 11 43
47 A 49 ASP D H H X TS+ 0 0 -64.5 -46.1 -179.5 45.7 113.9 21.8 43 -2.9 51 -1.6 0 0.0 0 0.0 8 44
48 A 50 LEU L H H X TS+ 0 0 -68.0 -37.5 178.7 50.4 111.8 29.1 44 -2.2 52 -2.5 0 0.0 0 0.0 10 56
49 A 51 LYS K H H < TS+ 0 0 -68.1 -33.1 179.4 53.7 108.9 29.4 45 -2.3 0 0.0 0 0.0 0 0.0 12 45
50 A 52 ALA A H H < TS+ 0 0 -66.5 -35.7 179.8 42.5 113.8 29.7 46 -1.7 0 0.0 0 0.0 0 0.0 7 33
51 A 53 LEU L H H < TS+ 0 0 -77.2 -38.1 -177.0 25.7 129.6 31.3 47 -1.6 0 0.0 0 0.0 0 0.0 6 36
52 A 54 TYR Y h < > T + 0 0 -128.6 63.3 -179.5 155.7 67.3 119.9 48 -2.5 55 -1.9 0 0.0 0 0.0 8 39
53 A 55 PRO P T T 3 TS+ 0 0 -60.3 -25.3 -179.3 61.2 73.8 42.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
54 A 56 HIS H T T 3 TS+ 0 0 -83.3 -0.6 179.5 75.8 96.3 64.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
55 A 57 LYS K S t < TS- 0 0 -110.8 156.9 177.3 -105.9 90.7 140.8 52 -1.9 0 0.0 0 0.0 0 0.0 9 37
56 A 58 ILE I E E Ac - 29 0 -79.1 127.8 179.2 -154.3 35.9 134.1 28 -1.7 30 -3.0 0 0.0 58 -0.6 11 54
57 A 59 VAL V E E Ac - 30 0 -110.9 120.9 -178.6 -163.2 6.9 159.4 0 0.0 80 -3.0 0 0.0 81 -1.7 14 60
58 A 60 LEU L E E Acd - 31 81 -107.1 127.5 178.3 -151.9 10.7 152.3 30 -2.2 32 -3.5 56 -0.6 60 -0.9 14 76
59 A 61 ALA A E E Acd - 32 82 -97.0 103.0 -178.7 -159.9 8.2 148.7 81 -2.7 61 -2.1 0 0.0 83 -1.6 16 70
60 A 62 ASP D E E A * + 0 0 -83.6 66.0 -179.0 143.4 38.5 114.7 32 -2.3 0 0.0 58 -0.9 0 0.0 11 74
61 A 63 ALA A E E A * - 0 0 -78.4 -18.7 -179.3 -144.2 49.4 47.3 59 -2.1 0 0.0 0 0.0 0 0.0 10 67
62 A 64 LYS K E E A * - 0 0 50.5 52.5 -179.9 -148.5 22.1 19.7 0 0.0 0 0.0 0 0.0 0 0.0 10 61
63 A 65 ILE I E E A d + 0 84 -54.2 127.3 -178.8 177.4 25.7 105.5 83 -2.4 85 -1.8 0 0.0 0 0.0 13 56
64 A 66 ALA A - 0 0 -109.2 -17.5 -179.2 -9.1 64.3 53.2 0 0.0 89 -0.6 0 0.0 0 0.0 11 39
65 A 67 ASP D S S S+ 0 0 -168.2 170.7 -179.0 55.9 109.0 162.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
66 A 68 ALA A h > T + 0 0 57.8 45.0 -178.4 176.9 63.9 21.5 0 0.0 70 -2.7 0 0.0 0 0.0 9 31
67 A 69 GLY G H H > TS+ 0 0 -47.9 -50.6 -178.9 44.8 71.2 30.0 0 0.0 71 -2.1 0 0.0 0 0.0 15 47
68 A 70 LYS K H H > TS+ 0 0 -66.2 -38.7 -178.4 47.9 115.4 27.4 0 0.0 72 -2.0 0 0.0 0 0.0 11 40
69 A 71 ILE I H H > TS+ 0 0 -68.1 -54.1 -179.5 39.0 117.0 15.3 0 0.0 73 -1.9 0 0.0 0 0.0 8 36
70 A 72 LEU L H H X TS+ 0 0 -65.3 -38.8 179.5 51.9 116.3 28.2 66 -2.7 74 -1.9 0 0.0 0 0.0 10 51
71 A 73 A SER S H H X TS+ 0 0 -64.1 -43.7 179.8 51.0 108.5 21.1 67 -2.1 75 -2.8 0 0.0 0 0.0 13 56
72 A 74 ARG R H H X TS+ 0 0 -60.7 -39.6 178.8 54.6 106.9 25.4 68 -2.0 76 -2.7 0 0.0 0 0.0 11 46
73 A 75 MET M H H X TS+ 0 0 -59.6 -43.0 -179.9 43.3 112.4 22.1 69 -1.9 77 -0.7 0 0.0 0 0.0 9 48
74 A 76 CYS C H H < >TS+ 0 0 -69.9 -41.5 -179.4 46.6 115.9 25.5 70 -1.9 79 -2.0 0 0.0 0 0.0 13 60
75 A 77 PHE F H H < >5TS+ 0 0 -72.2 -30.4 177.5 55.4 107.7 33.7 71 -2.8 78 -1.6 0 0.0 0 0.0 12 52
76 A 78 GLU E H H < 35TS+ 0 0 -70.7 -20.5 178.3 57.7 103.8 41.7 72 -2.7 0 0.0 0 0.0 0 0.0 7 39
77 A 79 ALA A T h < 35TS- 0 0 -89.2 9.4 177.5 -105.5 128.4 76.2 73 -0.7 0 0.0 0 0.0 0 0.0 10 43
78 A 80 ASN N T T <5T + 0 0 75.6 23.7 177.9 162.6 61.8 47.8 75 -1.6 0 0.0 0 0.0 0 0.0 9 47
79 A 81 ALA A t T - 0 110 -65.3 143.3 -177.3 -118.6 25.8 110.8 63 -1.8 88 -1.7 0 0.0 0 0.0 12 53
86 A 88 CYS C T e 3 TS+ 0 0 -54.1 -31.5 -178.3 55.8 107.7 42.1 110 -2.1 0 0.0 0 0.0 0 0.0 11 53
87 A 89 CYS C T T 3 TS+ 0 0 -83.2 -5.7 -179.2 122.1 79.7 55.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
88 A 90 ALA A S t < TS- 0 0 -56.6 148.6 178.1 -93.0 77.4 98.4 85 -1.7 0 0.0 0 0.0 0 0.0 12 44
89 A 91 ASP D h > > T - 0 0 -58.2 143.8 -179.1 -114.6 38.8 109.9 64 -0.6 92 -2.2 0 0.0 93 -1.1 8 37
90 A 92 ILE I H H > 3 TS+ 0 0 -54.7 -29.5 179.7 62.5 116.1 36.5 0 0.0 94 -2.1 0 0.0 0 0.0 9 41
91 A 93 ASN N H H > 3 TS+ 0 0 -69.4 -20.9 178.3 58.8 96.9 42.1 0 0.0 95 -2.2 0 0.0 0 0.0 8 37
92 A 94 THR T H H > < TS+ 0 0 -72.0 -45.7 178.7 44.5 107.4 20.5 89 -2.2 96 -2.4 0 0.0 0 0.0 15 44
93 A 95 ALA A H H X TS+ 0 0 -63.6 -39.3 -180.0 51.4 114.2 26.2 89 -1.1 97 -2.2 0 0.0 0 0.0 16 55
94 A 96 LYS K H H X TS+ 0 0 -64.2 -42.5 -179.9 48.0 110.3 24.0 90 -2.1 98 -2.3 0 0.0 0 0.0 10 47
95 A 97 GLY G H H X TS+ 0 0 -65.1 -41.9 179.8 48.3 112.2 25.5 91 -2.2 99 -1.8 0 0.0 0 0.0 11 45
96 A 98 ALA A H H X TS+ 0 0 -65.7 -39.2 179.7 50.0 112.1 27.4 92 -2.4 100 -2.6 0 0.0 0 0.0 16 55
97 A 99 LEU L H H X TS+ 0 0 -66.6 -41.3 179.7 54.9 106.4 25.6 93 -2.2 101 -2.5 0 0.0 0 0.0 11 56
98 A 100 ASP D H H X TS+ 0 0 -58.7 -43.4 179.7 42.2 113.4 22.7 94 -2.3 102 -0.9 0 0.0 0 0.0 9 41
99 A 101 VAL V H H X > TS+ 0 0 -69.6 -42.0 -179.9 57.8 109.6 23.6 95 -1.8 103 -1.0 0 0.0 102 -0.7 11 41
100 A 102 ALA A H H < >>TS+ 0 0 -54.2 -44.3 -179.6 55.2 102.3 24.6 96 -2.6 105 -3.2 0 0.0 103 -1.1 15 49
101 A 103 LYS K H H < >5TS+ 0 0 -59.5 -32.4 179.3 61.2 99.7 33.0 97 -2.5 104 -1.2 0 0.0 0 0.0 9 35
102 A 104 GLU E H H < <5TS+ 0 0 -63.6 -30.1 -179.2 37.4 112.3 37.2 98 -0.9 0 0.0 99 -0.7 0 0.0 7 29
103 A 105 PHE F T h < <5TS- 0 0 -106.2 13.0 -179.3 -111.1 115.5 78.5 100 -1.1 0 0.0 99 -1.0 0 0.0 7 31
104 A 106 ASN N T T <5TS+ 0 0 59.3 33.5 179.5 125.2 80.9 32.3 101 -1.2 0 0.0 0 0.0 0 0.0 7 28
105 A 107 GLY G t T - 0 0 -119.9 160.9 179.6 -120.4 21.6 144.1 0 0.0 120 -2.0 0 0.0 0 0.0 6 29
117 A 119 TRP W H H > TS+ 0 0 -68.3 -24.2 177.9 59.4 115.5 39.2 0 0.0 121 -1.8 0 0.0 0 0.0 6 34
118 A 120 GLU E H H > TS+ 0 0 -68.5 -39.8 178.6 48.2 105.9 25.8 0 0.0 122 -1.7 0 0.0 0 0.0 6 24
119 A 121 GLN Q H H > TS+ 0 0 -64.7 -41.9 179.5 56.3 107.4 24.6 0 0.0 123 -2.3 0 0.0 0 0.0 8 39
120 A 122 ALA A H H X TS+ 0 0 -57.4 -40.7 179.6 50.3 105.9 27.1 116 -2.0 124 -1.8 0 0.0 0 0.0 10 49
121 A 123 GLN Q H H X TS+ 0 0 -65.8 -38.4 179.3 54.0 107.7 26.2 117 -1.8 125 -2.7 0 0.0 0 0.0 9 35
122 A 124 GLN Q H H X TS+ 0 0 -61.3 -42.9 179.7 53.2 105.4 24.1 118 -1.7 126 -1.8 0 0.0 0 0.0 9 36
123 A 125 TRP W H H < >TS+ 0 0 -59.0 -43.6 179.3 46.5 111.1 23.1 119 -2.3 128 -2.6 0 0.0 0 0.0 11 49
124 A 126 ARG R H H < >5TS+ 0 0 -64.2 -45.9 179.9 50.4 111.3 20.7 120 -1.8 127 -1.7 0 0.0 0 0.0 12 40
125 A 127 ASP D H H < 35TS+ 0 0 -62.7 -25.5 -179.9 56.6 107.4 38.0 121 -2.7 0 0.0 0 0.0 0 0.0 7 29
126 A 128 ALA A T h < 35TS- 0 0 -82.7 -7.9 179.4 -104.2 124.1 57.3 122 -1.8 0 0.0 0 0.0 0 0.0 9 37
127 A 129 GLY G T T <5T + 0 0 97.5 8.4 179.3 153.1 66.7 55.8 124 -1.7 0 0.0 0 0.0 0 0.0 6 35
128 A 130 ILE I t T - 0 0 -49.0 137.5 178.4 -136.8 12.5 97.2 134 -0.7 140 -2.8 0 0.0 0 0.0 9 40
137 A 139 ARG R H H > TS+ 0 0 -62.7 -39.7 -179.8 47.1 109.1 27.0 0 0.0 141 -2.1 0 0.0 0 0.0 8 35
138 A 140 ASP D H H > TS+ 0 0 -72.7 -32.3 178.3 50.1 110.9 33.7 0 0.0 142 -0.9 0 0.0 0 0.0 6 22
139 A 141 ALA A H H 4 >>TS+ 0 0 -69.0 -43.5 179.2 51.2 110.6 22.3 0 0.0 144 -2.3 0 0.0 142 -0.5 9 23
140 A 142 GLN Q H H < >5TS+ 0 0 -57.3 -45.2 -179.7 51.4 107.9 24.6 136 -2.8 143 -1.8 0 0.0 0 0.0 12 26
141 A 143 ALA A H H < 35TS+ 0 0 -65.4 -23.0 179.9 58.4 105.1 41.4 137 -2.1 0 0.0 0 0.0 0 0.0 7 17
142 A 144 ALA A T h < <5TS- 0 0 -88.6 6.4 178.7 -93.0 130.2 70.9 138 -0.9 0 0.0 139 -0.5 0 0.0 6 14
143 A 145 GLY G T T <5TS+ 0 0 98.9 1.7 -180.0 148.0 74.8 62.3 140 -1.8 145 -0.6 0 0.0 0 0.0 6 14
144 A 146 VAL V t > T - 0 0 -142.3 176.8 -179.9 -88.5 49.6 149.2 0 0.0 151 -1.4 0 0.0 150 -1.3 6 30
148 A 150 GLU E H H > 3 TS+ 0 0 -57.5 -30.8 179.6 65.1 120.0 36.9 0 0.0 152 -2.8 0 0.0 0 0.0 6 23
149 A 151 ALA A H H > 3 TS+ 0 0 -61.0 -34.2 179.7 49.4 102.6 30.2 0 0.0 153 -2.0 0 0.0 0 0.0 6 20
150 A 152 ASP D H H > < TS+ 0 0 -70.4 -44.5 179.8 48.6 110.3 23.1 147 -1.3 154 -2.6 0 0.0 0 0.0 8 44
151 A 153 ILE I H H X TS+ 0 0 -61.3 -43.5 179.7 50.3 111.7 24.2 147 -1.4 155 -2.5 0 0.0 0 0.0 10 35
152 A 154 THR T H H X TS+ 0 0 -60.2 -46.8 -179.5 46.3 112.6 20.7 148 -2.8 156 -2.2 0 0.0 0 0.0 8 27
153 A 155 ALA A H H X TS+ 0 0 -64.1 -41.6 179.1 52.3 110.9 27.6 149 -2.0 157 -2.6 0 0.0 0 0.0 8 42
154 A 156 ILE I H H X TS+ 0 0 -61.4 -45.2 179.3 47.3 110.9 21.8 150 -2.6 158 -2.3 0 0.0 0 0.0 10 49
155 A 157 LYS K H H X TS+ 0 0 -63.2 -39.2 179.9 52.2 111.3 26.4 151 -2.5 159 -2.7 0 0.0 0 0.0 9 34
156 A 158 ARG R H H X TS+ 0 0 -63.1 -44.3 178.9 47.6 109.9 23.6 152 -2.2 160 -1.4 0 0.0 0 0.0 8 37
157 A 159 LEU L H H < >TS+ 0 0 -63.8 -39.5 179.3 51.2 111.9 26.2 153 -2.6 162 -1.8 0 0.0 0 0.0 11 47
158 A 160 SER S H H < >5TS+ 0 0 -63.3 -45.0 180.0 51.4 108.0 20.7 154 -2.3 161 -1.7 0 0.0 0 0.0 11 39
159 A 161 ASP D H H < 35TS+ 0 0 -63.0 -26.1 179.5 63.5 101.2 38.6 155 -2.7 0 0.0 0 0.0 0 0.0 7 29
160 A 162 MET M T h < 35TS- 0 0 -72.3 -14.9 179.2 -99.9 126.1 49.7 156 -1.4 0 0.0 0 0.0 0 0.0 8 36
161 A 163 GLY G T T <5TS+ 0 0 112.2 -2.5 179.6 136.4 77.7 67.2 158 -1.7 0 0.0 0 0.0 0 0.0 8 33
162 A 164 PHE F t > T - 0 0 -111.9 163.5 -179.8 -102.9 36.3 137.2 0 0.0 174 -1.7 0 0.0 175 -0.5 8 45
172 A 174 LEU L G G 4 > TS+ 0 0 -53.0 -43.5 -178.6 57.8 121.2 25.6 0 0.0 175 -1.3 0 0.0 0 0.0 9 45
173 A 175 GLU E G G 4 3 TS+ 0 0 -64.3 -15.3 -179.2 68.1 93.6 52.0 0 0.0 0 0.0 0 0.0 0 0.0 5 32
174 A 176 ASP D G G 4 X TS+ 0 0 -79.3 -20.5 -178.4 84.6 76.1 44.1 171 -1.7 177 -1.5 0 0.0 0 0.0 8 43
175 A 177 LEU L G G < X TS+ 0 0 -50.3 -45.4 -179.9 61.5 79.6 31.2 172 -1.3 178 -1.9 171 -0.5 0 0.0 11 49
176 A 178 PRO P G G > TS+ 0 0 -55.7 -25.9 -179.7 72.8 89.1 39.6 0 0.0 179 -1.6 0 0.0 0 0.0 7 34
177 A 179 LEU L G G < TS+ 0 0 -59.0 -28.9 -177.9 42.7 101.6 37.2 174 -1.5 0 0.0 0 0.0 0 0.0 6 39
178 A 180 PHE F G G X TS+ 0 0 -102.6 9.2 -179.5 138.7 82.5 72.8 175 -1.9 181 -1.7 0 0.0 0 0.0 9 49
179 A 181 LYS K T g < T + 0 0 -55.8 143.0 179.4 28.6 65.6 101.3 176 -1.6 0 0.0 0 0.0 0 0.0 8 38
180 A 182 GLY G T T 3 TS+ 0 0 90.4 -12.7 -180.0 107.8 95.5 74.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
181 A 183 ILE I S t < TS- 0 0 -101.4 135.2 -179.9 -120.9 78.3 146.7 178 -1.7 183 -2.8 0 0.0 0 0.0 6 39
182 A 184 PRO P - 0 0 -72.2 60.2 -179.9 -173.9 41.1 106.7 0 0.0 0 0.0 0 0.0 0 0.0 8 41
183 A 185 ILE I - 0 0 -59.0 130.5 -179.4 -158.5 16.7 108.8 181 -2.8 0 0.0 0 0.0 0 0.0 12 52
184 A 186 HIS H e - 0 0 -76.9 -48.3 -177.6 -0.1 69.8 21.3 164 -2.4 3 -2.7 0 0.0 0 0.0 10 50
185 A 187 VAL V E E Aah - 3 165 -146.9 144.2 174.9 -151.0 53.2 176.7 164 -1.1 166 -2.6 0 0.0 0 0.0 11 58
186 A 188 PHE F E E Aah - 4 166 -113.5 127.1 179.6 -153.0 21.1 168.0 3 -2.6 5 -2.7 0 0.0 0 0.0 12 67
187 A 189 ILE I E E Aa - 5 0 -105.4 130.5 178.2 -177.7 13.2 153.6 166 -2.3 0 0.0 0 0.0 0 0.0 13 71
188 A 190 ALA A E E Aa + 6 0 -127.4 123.9 179.2 153.2 15.0 172.6 5 -2.9 7 -1.4 0 0.0 0 0.0 15 64
189 A 191 GLY G S h > > TS+ 0 0 -109.2 -86.0 -179.7 22.1 76.1 49.5 0 0.0 193 -2.8 0 0.0 192 -1.8 11 65
190 A 192 ARG R H H > 3 TS+ 0 0 -53.8 -40.4 -179.2 62.3 118.1 32.4 0 0.0 194 -1.9 0 0.0 0 0.0 9 50
191 A 193 A SER S H H 4 3 TS+ 0 0 -62.9 -17.4 178.9 28.3 118.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 12 44
192 A 194 ILE I H H 4 X TS+ 0 0 -106.3 -56.0 -179.1 45.7 122.3 36.4 189 -1.8 195 -1.1 0 0.0 0 0.0 13 53
193 A 195 ARG R H H < 3 TS+ 0 0 -56.6 -43.1 -177.1 38.1 121.5 28.0 189 -2.8 0 0.0 0 0.0 0 0.0 9 51
194 A 196 ASP D T h < 3 TS+ 0 0 -95.4 8.5 179.4 117.9 89.0 71.0 190 -1.9 0 0.0 0 0.0 0 0.0 7 32
195 A 197 ALA A S t < TS- 0 0 -72.8 154.7 179.0 -119.0 75.9 111.4 192 -1.1 0 0.0 0 0.0 0 0.0 9 29
196 A 198 ALA A S S S+ 0 0 -59.1 -37.6 178.7 24.5 114.2 27.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
197 A 199 SER S S h > TS- 0 0 -130.3 91.1 179.9 -175.6 70.3 145.5 0 0.0 201 -2.8 0 0.0 0 0.0 7 27
198 A 200 PRO P H H > TS+ 0 0 -53.8 -38.9 -179.9 54.7 87.0 29.2 0 0.0 202 -2.5 0 0.0 0 0.0 13 38
199 A 201 VAL V H H > TS+ 0 0 -61.8 -45.8 -179.9 43.2 111.5 20.9 0 0.0 203 -2.4 0 0.0 0 0.0 10 35
200 A 202 GLU E H H > TS+ 0 0 -67.6 -38.7 179.2 55.2 111.4 27.3 0 0.0 204 -2.5 0 0.0 0 0.0 7 33
201 A 203 ALA A H H X TS+ 0 0 -59.3 -45.6 -179.8 44.6 111.3 20.7 197 -2.8 205 -1.7 0 0.0 0 0.0 11 42
202 A 204 ALA A H H X TS+ 0 0 -66.1 -43.7 -179.8 48.0 114.1 24.2 198 -2.5 206 -2.0 0 0.0 0 0.0 12 49
203 A 205 ARG R H H X TS+ 0 0 -67.0 -33.1 178.7 55.3 108.5 31.7 199 -2.4 207 -2.3 0 0.0 0 0.0 9 39
204 A 206 GLN Q H H X TS+ 0 0 -65.2 -40.9 179.4 50.8 106.8 25.9 200 -2.5 208 -2.6 0 0.0 0 0.0 9 41
205 A 207 PHE F H H X TS+ 0 0 -61.7 -48.3 -179.9 45.6 112.4 18.8 201 -1.7 209 -2.6 0 0.0 0 0.0 10 53
206 A 208 LYS K H H X TS+ 0 0 -63.7 -36.0 179.6 51.9 112.3 30.4 202 -2.0 210 -2.5 0 0.0 0 0.0 9 44
207 A 209 ARG R H H X TS+ 0 0 -65.4 -47.1 180.0 45.2 112.1 20.1 203 -2.3 211 -1.9 0 0.0 0 0.0 8 29
208 A 210 SER S H H X TS+ 0 0 -62.9 -42.9 179.5 50.8 113.2 24.6 204 -2.6 212 -2.9 0 0.0 0 0.0 10 35
209 A 211 ILE I H H X TS+ 0 0 -60.6 -46.9 179.9 49.5 109.6 21.4 205 -2.6 213 -2.8 0 0.0 0 0.0 11 41
210 A 212 ALA A H H < TS+ 0 0 -60.6 -35.6 -179.8 47.7 114.1 30.7 206 -2.5 0 0.0 0 0.0 0 0.0 8 30
211 A 213 GLU E H H < TS+ 0 0 -71.2 -48.3 -179.1 40.3 116.5 21.1 207 -1.9 0 0.0 0 0.0 0 0.0 6 26
212 A 214 LEU L H H < T 0 0 -71.9 -33.5 -179.6 999.9 999.9 35.7 208 -2.9 0 0.0 0 0.0 0 0.0 7 28
213 A 215 TRP W h < T 0 0 -109.9 999.9 999.9 999.9 999.9 124.5 209 -2.8 0 0.0 0 0.0 0 0.0 8 25
1kv8A.pdb
1KV8 LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE SSHHHHHHHHHHHGGG SEEEE HHHHHHH THHHHHHHHH TTSEEEEEEEE S HHHHHHHHHHTT SEEEEETTS HHHHHHHHHHH Kabs/Sand
chirality ------++-+-++++++++++++++-+-----++++++--+++++++++++++-----+--+-++++++++++++-+-+-----++--+++++++++++ chirality
bends SSSSSSSSSSSSSSSS S SSSSSSS SSSSSSSSSS SSS S SSSSSSSSSSS S SSS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< > 5-turns
3-turns >>3>3<< >>3<< >33< >33< >33<>33< >> 3-turns
bridge-2 bbbb cccc dd***d eeeee bridge-2
bridge-1 aaaa bbbb cccc dd*d bridge-1
sheets AAAAAA AAAA AAAAAAAA AAAAA sheets
4-turns >>>>XX>>>X<<<<>>>>XXX<<<< >>>>XXXX<<<< >>>>XXXXXXX< 4-turns
summary EEEEEE ShHHHHHHHHHHHhGGgeEEEEhHHHHHHHhhHHHHHHHHHhTTtEEEEEEEE ShHHHHHHHHHHhTteEEEEEeTthHHHHHHHHHHH summary
sequence LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHTT EEEEEE S HHHHHHHHHTT EEEEE HHHHHTT HHHHHHHHHHHHTT EEEEESS GGGGGGGTTS EEEESHHHHTSSSHHH Kabs/Sand
chirality ++-+------+--+--+++++++++-++++------+++++-+--+-++++++++++++-+----++----+++++++++-------+++++++-+-+++ chirality
bends SSSS S SSSSSSSSSS SSSSSSS SSSSSSSSSSSSSS SS SSSSSSS SS SSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTT TTTT turns
5-turns 5555< >5555< >5555< >5555< 5-turns
3-turns ><<< >33< >>3<< >33< >33< >>3XX>33X33< 3-turns
bridge-2 ffff ggggg hh hh bridge-2
bridge-1 eeeee ffff ggggg aaaa bridge-1
sheets AAAAAA AAAAA AAAAA AAAA sheets
4-turns <<< >>>>XXX<<<< >>>4<<< >>>>XXXXXX<<<< >444< >>44<< >>>> 4-turns
summary HHhTtEEEEEE S hHHHHHHHHHhTteEEEEEehHHHHHhTt hHHHHHHHHHHHHhTtEEEEESS gGGGGGGGgTt eEEEEhHHHHhtShHHH summary
sequence KEFNGDVQIELTGYWTWEQAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHH Kabs/Sand
chirality +++++++++++ chirality
bends SSSSSSSSSSS bends
turns TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHh summary
sequence AARQFKRSIAELW sequence
210