Secondary structure calculation program - copyright by David Keith Smith, 1989
1l6wA.pdb
1L6W LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 220
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 0 999.9 122.8 179.6 999.9 999.9 999.9 0 0.0 3 -0.6 0 0.0 0 0.0 6 33
2 A 2 GLU E E E Aa - 183 0 -101.3 117.3 -179.6 -157.3 999.9 152.8 182 -2.1 184 -2.2 0 0.0 4 -0.6 8 41
3 A 3 LEU L E E Aa + 184 0 -100.6 119.6 -180.0 177.1 16.8 148.9 1 -0.6 23 -3.4 0 0.0 24 -0.9 12 53
4 A 4 TYR Y E E Aab - 185 24 -118.9 160.7 176.0 -131.5 26.8 143.0 184 -3.0 186 -2.7 2 -0.6 0 0.0 13 64
5 A 5 LEU L E E Aab - 186 25 -109.0 136.9 -178.7 -142.5 16.0 156.5 24 -1.3 26 -2.7 0 0.0 7 -1.0 14 61
6 A 6 ASP D E E A b + 0 26 -100.8 90.9 -175.4 95.9 61.2 144.4 186 -2.8 0 0.0 0 0.0 0 0.0 12 68
7 A 7 THR T e - 0 0 -167.8 168.5 176.8 -146.2 63.4 171.0 26 -1.4 0 0.0 5 -1.0 0 0.0 12 58
8 A 8 SER S + 0 0 -129.1 13.3 -180.0 120.6 64.5 84.1 0 0.0 10 -1.3 0 0.0 0 0.0 11 50
9 A 9 ASP D h > T - 0 0 -84.1 91.3 -178.3 -173.6 42.2 132.9 0 0.0 13 -2.2 0 0.0 0 0.0 8 45
10 A 10 VAL V H H > TS+ 0 0 -54.3 -47.3 -179.9 50.8 80.4 27.8 8 -1.3 14 -2.2 0 0.0 0 0.0 10 44
11 A 11 VAL V H H > TS+ 0 0 -60.0 -43.1 -179.9 48.6 111.3 24.7 0 0.0 15 -2.1 0 0.0 0 0.0 7 29
12 A 12 ALA A H H > TS+ 0 0 -64.6 -41.1 179.5 53.2 109.4 26.3 0 0.0 16 -3.0 0 0.0 0 0.0 7 38
13 A 13 VAL V H H X TS+ 0 0 -61.2 -44.2 179.7 49.1 108.6 23.7 9 -2.2 17 -2.0 0 0.0 0 0.0 13 49
14 A 14 LYS K H H X TS+ 0 0 -61.3 -46.4 -179.6 44.8 115.0 18.8 10 -2.2 18 -0.5 0 0.0 0 0.0 10 35
15 A 15 ALA A H H < > TS+ 0 0 -63.5 -46.4 -178.8 43.2 117.3 22.7 11 -2.1 18 -0.8 0 0.0 0 0.0 8 30
16 A 16 LEU L H H X > TS+ 0 0 -74.6 -22.0 -179.7 72.7 98.4 43.4 12 -3.0 20 -2.8 0 0.0 19 -0.9 8 41
17 A 17 SER S H H < 3 TS+ 0 0 -64.8 -21.0 179.9 54.0 95.9 42.2 13 -2.0 0 0.0 0 0.0 0 0.0 11 43
18 A 18 ARG R T h < < TS+ 0 0 -83.4 -22.4 -179.1 37.2 116.6 45.1 15 -0.8 0 0.0 14 -0.5 0 0.0 7 29
19 A 19 ILE I T T 4 < TS+ 0 0 -94.2 -57.0 -179.5 50.9 113.2 25.5 16 -0.9 0 0.0 0 0.0 0 0.0 6 26
20 A 20 PHE F S t < TS- 0 0 -86.8 152.0 179.0 -119.9 82.6 121.3 16 -2.8 22 -1.7 0 0.0 0 0.0 6 36
21 A 21 PRO P - 0 0 -88.5 78.8 -177.5 -169.0 48.4 129.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
22 A 22 LEU L - 0 0 -78.3 142.6 178.1 -166.7 32.8 117.7 20 -1.7 0 0.0 0 0.0 0 0.0 11 45
23 A 23 ALA A e - 0 0 -96.9 -14.9 -180.0 -75.0 67.2 56.2 3 -3.4 55 -2.6 0 0.0 0 0.0 9 44
24 A 24 GLY G E E Abc - 4 55 156.1 -156.4 -179.1 -65.8 54.0 175.0 3 -0.9 5 -1.3 0 0.0 0 0.0 12 59
25 A 25 VAL V E E Abc - 5 56 -137.0 140.8 177.8 -154.5 28.9 172.7 55 -1.9 57 -1.3 0 0.0 0 0.0 15 68
26 A 26 THR T E E Abc - 6 57 -112.5 151.1 178.4 -177.7 14.4 148.7 5 -2.7 7 -1.4 0 0.0 0 0.0 12 74
27 A 27 THR T e - 0 0 -140.4 164.2 176.6 -169.2 7.5 157.0 57 -0.9 0 0.0 0 0.0 0 0.0 13 67
28 A 28 ASN N h > T - 0 0 -146.0 168.1 -179.4 -88.6 45.4 156.5 0 0.0 32 -2.6 0 0.0 0 0.0 9 58
29 A 29 PRO P H H > TS+ 0 0 -49.1 -43.2 -179.6 46.0 126.0 30.6 0 0.0 33 -2.5 0 0.0 0 0.0 9 40
30 A 30 SER S H H > TS+ 0 0 -69.3 -41.1 179.9 49.8 112.2 26.1 0 0.0 34 -2.6 0 0.0 0 0.0 6 31
31 A 31 ILE I H H > TS+ 0 0 -63.7 -42.0 179.0 46.3 114.0 25.2 0 0.0 35 -1.3 0 0.0 0 0.0 11 42
32 A 32 ILE I H H X > TS+ 0 0 -64.1 -51.1 -179.8 48.6 113.1 17.6 28 -2.6 36 -0.9 0 0.0 35 -0.6 14 36
33 A 33 ALA A H H < > TS+ 0 0 -56.6 -42.0 179.9 55.1 108.1 27.0 29 -2.5 36 -1.0 0 0.0 0 0.0 9 26
34 A 34 ALA A H H < 3 TS+ 0 0 -61.6 -32.3 179.6 52.0 106.2 33.9 30 -2.6 0 0.0 0 0.0 0 0.0 7 23
35 A 35 GLY G H H < < TS- 0 0 -77.8 -16.1 179.1 -148.3 96.6 49.4 31 -1.3 37 -0.5 32 -0.6 0 0.0 8 32
36 A 36 LYS K h < < T + 0 0 72.2 -26.4 -179.9 114.6 59.7 85.9 33 -1.0 0 0.0 32 -0.9 0 0.0 6 22
37 A 37 LYS K S S S- 0 0 -78.1 139.7 179.8 -115.0 70.6 123.1 35 -0.5 0 0.0 0 0.0 0 0.0 8 26
38 A 38 PRO P h > > T - 0 0 -71.9 156.3 -179.3 -107.3 26.7 109.5 0 0.0 42 -2.5 0 0.0 41 -2.1 8 31
39 A 39 LEU L H H > 3 TS+ 0 0 -49.2 -44.1 -178.9 59.3 118.0 32.9 0 0.0 43 -1.7 0 0.0 0 0.0 7 47
40 A 40 ASP D H H 4 3 TS+ 0 0 -63.8 -14.9 179.7 36.3 116.4 48.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
41 A 41 VAL V H H > < TS+ 0 0 -101.9 -51.9 -178.2 41.4 119.8 32.3 38 -2.1 45 -1.4 0 0.0 0 0.0 8 31
42 A 42 VAL V H H X TS+ 0 0 -66.9 -46.1 -178.5 59.4 106.6 26.3 38 -2.5 46 -3.1 0 0.0 0 0.0 11 46
43 A 43 LEU L H H X TS+ 0 0 -53.2 -48.5 179.5 43.7 109.3 22.6 39 -1.7 47 -2.5 0 0.0 0 0.0 11 57
44 A 44 PRO P H H > TS+ 0 0 -64.6 -38.4 179.7 51.4 114.2 23.3 0 0.0 48 -2.3 0 0.0 0 0.0 10 44
45 A 45 GLN Q H H X TS+ 0 0 -62.8 -40.5 179.2 47.8 111.2 26.3 41 -1.4 49 -2.7 0 0.0 0 0.0 9 41
46 A 46 LEU L H H X TS+ 0 0 -65.8 -43.1 179.7 52.4 109.7 23.6 42 -3.1 50 -0.5 0 0.0 0 0.0 13 53
47 A 47 HIS H H H < >>TS+ 0 0 -58.7 -41.3 179.8 45.3 113.1 25.7 43 -2.5 52 -2.0 0 0.0 50 -0.8 12 48
48 A 48 GLU E H H < >5TS+ 0 0 -69.0 -42.2 179.6 66.1 100.3 26.0 44 -2.3 51 -2.3 0 0.0 0 0.0 9 37
49 A 49 ALA A H H < 35TS+ 0 0 -54.0 -14.2 180.0 50.1 104.7 47.8 45 -2.7 0 0.0 0 0.0 0 0.0 12 39
50 A 50 MET M T h < X5TS- 0 0 -117.4 35.7 179.3 -98.4 126.1 97.7 47 -0.8 53 -2.3 46 -0.5 0 0.0 12 41
51 A 51 GLY G T T <5TS- 0 0 55.7 26.0 179.1 -66.8 74.5 40.6 48 -2.3 0 0.0 0 0.0 0 0.0 6 29
52 A 52 GLY G T T 3 TS- 0 0 -107.2 153.7 -179.7 -119.8 85.2 142.3 0 0.0 68 -2.6 0 0.0 0 0.0 9 27
65 A 65 ALA A H H > TS+ 0 0 -55.5 -45.0 180.0 50.4 115.7 24.5 0 0.0 69 -2.2 0 0.0 0 0.0 12 37
66 A 66 GLU E H H > TS+ 0 0 -60.3 -44.2 179.8 48.1 111.5 23.5 0 0.0 70 -2.0 0 0.0 0 0.0 7 30
67 A 67 GLY G H H > TS+ 0 0 -64.7 -38.0 179.6 52.4 109.7 29.1 0 0.0 71 -2.2 0 0.0 0 0.0 9 31
68 A 68 MET M H H X TS+ 0 0 -66.2 -38.1 179.0 51.9 107.3 28.6 64 -2.6 72 -2.4 0 0.0 0 0.0 15 46
69 A 69 VAL V H H X TS+ 0 0 -64.5 -41.0 179.2 49.1 110.2 23.4 65 -2.2 73 -2.1 0 0.0 0 0.0 11 48
70 A 70 ASN N H H X TS+ 0 0 -64.7 -37.7 178.6 51.8 109.7 27.1 66 -2.0 74 -2.0 0 0.0 0 0.0 8 38
71 A 71 ASP D H H X TS+ 0 0 -63.3 -40.9 179.7 53.5 107.4 25.4 67 -2.2 75 -2.5 0 0.0 0 0.0 11 45
72 A 72 ALA A H H X TS+ 0 0 -59.7 -44.9 179.7 50.7 107.1 24.2 68 -2.4 76 -2.6 0 0.0 0 0.0 11 56
73 A 73 LEU L H H X TS+ 0 0 -60.7 -41.4 179.8 50.0 110.4 25.2 69 -2.1 77 -1.3 0 0.0 0 0.0 8 40
74 A 74 LYS K H H X TS+ 0 0 -64.3 -42.8 179.5 48.9 110.8 24.1 70 -2.0 78 -0.8 0 0.0 0 0.0 8 37
75 A 75 LEU L H H X > TS+ 0 0 -63.2 -43.2 179.9 51.4 109.9 23.0 71 -2.5 79 -2.4 0 0.0 78 -1.0 12 47
76 A 76 ARG R H H < 3 TS+ 0 0 -65.4 -24.9 179.4 59.5 103.4 40.6 72 -2.6 0 0.0 0 0.0 0 0.0 10 38
77 A 77 SER S H H < 3 TS+ 0 0 -75.6 -21.0 179.1 43.3 109.7 42.9 73 -1.3 0 0.0 0 0.0 0 0.0 7 29
78 A 78 ILE I H H < < TS+ 0 0 -86.6 -47.6 178.7 16.5 133.7 26.7 75 -1.0 0 0.0 74 -0.8 0 0.0 9 34
79 A 79 ILE I S h < > TS- 0 0 -129.9 105.8 -177.4 -153.4 74.4 160.2 75 -2.4 82 -1.9 0 0.0 0 0.0 9 43
80 A 80 ALA A T T 3 TS+ 0 0 -48.4 -40.7 -178.2 34.2 93.3 37.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
81 A 81 ASP D T T 3 TS+ 0 0 -106.8 21.2 -179.5 138.2 86.2 82.3 0 0.0 0 0.0 0 0.0 0 0.0 7 38
82 A 82 ILE I t < T - 0 0 -66.0 149.7 177.9 -125.8 53.0 106.1 79 -1.9 84 -0.5 0 0.0 0 0.0 12 52
83 A 83 VAL V E E Ad - 57 0 -98.8 126.9 -177.5 -133.2 24.6 151.6 56 -2.7 58 -1.7 0 0.0 85 -0.5 12 62
84 A 84 VAL V E E Ade - 58 106 -88.6 121.5 179.5 -145.8 10.4 135.3 105 -2.3 107 -2.2 82 -0.5 0 0.0 14 67
85 A 85 LYS K E E Ade - 59 107 -86.6 127.3 -179.4 -174.3 18.0 136.2 58 -3.0 60 -2.2 83 -0.5 0 0.0 12 76
86 A 86 VAL V E E A e - 0 108 -125.3 123.9 179.7 -119.9 27.6 169.6 107 -3.1 109 -2.4 0 0.0 0 0.0 14 69
87 A 87 PRO P E E A e - 0 109 -61.4 134.9 -178.2 -117.3 32.3 113.4 0 0.0 89 -2.0 0 0.0 0 0.0 9 60
88 A 88 VAL V e + 0 0 -81.0 82.1 178.5 126.5 68.1 121.7 109 -2.6 0 0.0 0 0.0 0 0.0 14 54
89 A 89 THR T S h > TS- 0 0 -120.1 -179.8 179.5 -86.9 79.5 127.5 87 -2.0 93 -2.7 0 0.0 0 0.0 6 46
90 A 90 ALA A H H > TS+ 0 0 -57.8 -51.4 -179.9 39.2 133.5 16.0 0 0.0 94 -1.8 0 0.0 0 0.0 6 33
91 A 91 GLU E H H > TS+ 0 0 -67.4 -32.2 179.5 57.8 113.0 32.3 0 0.0 95 -2.4 0 0.0 0 0.0 10 36
92 A 92 GLY G H H > TS+ 0 0 -63.4 -41.7 179.4 49.9 105.0 25.1 0 0.0 96 -2.5 0 0.0 0 0.0 14 50
93 A 93 LEU L H H X TS+ 0 0 -62.6 -43.8 179.6 50.4 110.3 23.6 89 -2.7 97 -2.1 0 0.0 0 0.0 13 49
94 A 94 ALA A H H X TS+ 0 0 -61.3 -41.6 179.7 49.2 111.3 24.5 90 -1.8 98 -1.9 0 0.0 0 0.0 10 44
95 A 95 ALA A H H X TS+ 0 0 -64.8 -41.7 179.6 54.7 107.3 25.8 91 -2.4 99 -3.0 0 0.0 0 0.0 14 49
96 A 96 ILE I H H X TS+ 0 0 -60.1 -41.9 179.2 48.9 108.1 24.6 92 -2.5 100 -2.1 0 0.0 0 0.0 15 58
97 A 97 LYS K H H X TS+ 0 0 -64.8 -40.1 179.4 47.8 113.0 24.2 93 -2.1 101 -1.6 0 0.0 0 0.0 10 42
98 A 98 MET M H H X TS+ 0 0 -65.6 -42.7 -179.9 48.2 112.3 24.7 94 -1.9 102 -1.4 0 0.0 0 0.0 9 40
99 A 99 LEU L H H X >TS+ 0 0 -67.5 -32.0 178.4 57.2 107.0 33.2 95 -3.0 104 -2.4 0 0.0 103 -0.6 12 48
100 A 100 LYS K H H < >5TS+ 0 0 -63.7 -40.6 179.5 48.9 107.0 25.7 96 -2.1 103 -0.8 0 0.0 0 0.0 13 38
101 A 101 ALA A H H < 35TS+ 0 0 -68.1 -30.8 -179.8 50.0 111.4 35.5 97 -1.6 0 0.0 0 0.0 0 0.0 7 27
102 A 102 GLU E H H < 35TS- 0 0 -86.5 -4.4 179.4 -118.4 113.5 60.3 98 -1.4 0 0.0 0 0.0 0 0.0 6 31
103 A 103 GLY G T h < <5T + 0 0 75.6 21.6 179.0 141.1 65.7 43.2 100 -0.8 0 0.0 99 -0.6 0 0.0 6 27
104 A 104 ILE I t TS- 0 0 -144.8 150.0 -178.9 -129.8 72.7 173.8 0 0.0 117 -2.0 0 0.0 0 0.0 9 46
114 A 114 ALA A H H > TS+ 0 0 -64.8 -46.4 -180.0 48.0 108.9 24.3 0 0.0 118 -2.6 0 0.0 0 0.0 12 51
115 A 115 ALA A H H > TS+ 0 0 -61.4 -43.7 178.7 52.4 111.0 22.9 0 0.0 119 -2.5 0 0.0 0 0.0 8 41
116 A 116 GLN Q H H > TS+ 0 0 -56.7 -45.9 179.5 48.7 110.6 21.8 0 0.0 120 -1.5 0 0.0 0 0.0 10 48
117 A 117 GLY G H H X TS+ 0 0 -61.0 -45.6 179.7 51.8 108.9 23.3 113 -2.0 121 -1.5 0 0.0 0 0.0 16 62
118 A 118 LEU L H H X TS+ 0 0 -58.4 -43.0 -180.0 57.5 104.7 25.2 114 -2.6 122 -2.8 0 0.0 0 0.0 14 54
119 A 119 LEU L H H X TS+ 0 0 -56.9 -39.8 -179.8 52.3 103.7 28.1 115 -2.5 123 -1.6 0 0.0 0 0.0 9 52
120 A 120 SER S H H X >TS+ 0 0 -65.8 -35.7 179.0 47.5 111.1 28.2 116 -1.5 125 -2.6 0 0.0 124 -0.5 14 55
121 A 121 ALA A H H < >5TS+ 0 0 -70.3 -41.1 179.5 51.3 110.2 25.1 117 -1.5 124 -1.0 0 0.0 0 0.0 15 60
122 A 122 LEU L H H < 35TS+ 0 0 -64.9 -27.5 179.7 56.0 107.0 36.5 118 -2.8 0 0.0 0 0.0 0 0.0 8 47
123 A 123 ALA A H H < 35TS- 0 0 -78.6 -15.8 178.8 -86.1 134.6 50.0 119 -1.6 0 0.0 0 0.0 0 0.0 11 48
124 A 124 GLY G T h < <5TS+ 0 0 130.8 -9.1 -179.1 148.8 73.9 70.4 121 -1.0 0 0.0 120 -0.5 0 0.0 10 48
125 A 125 ALA A t a T - 165 0 -90.3 82.9 -177.7 -176.3 33.0 132.3 111 -2.3 135 -2.2 0 0.0 0 0.0 13 61
132 A 132 VAL V H H > TS+ 0 0 -47.1 -59.3 -178.2 41.3 75.3 26.9 165 -1.9 136 -2.2 130 -1.5 0 0.0 17 55
133 A 133 ASN N H H > TS+ 0 0 -64.6 -34.5 179.7 54.1 112.8 30.9 166 -2.4 137 -3.3 0 0.0 0 0.0 12 43
134 A 134 ARG R H H > TS+ 0 0 -66.4 -37.3 178.6 48.9 108.9 27.0 0 0.0 138 -1.8 0 0.0 0 0.0 10 32
135 A 135 ILE I H H < >TS+ 0 0 -65.6 -42.8 178.6 46.5 114.4 22.2 131 -2.2 140 -2.4 0 0.0 0 0.0 12 37
136 A 136 ASP D H H < >5TS+ 0 0 -62.8 -45.0 -178.1 51.4 111.4 23.3 132 -2.2 139 -1.3 0 0.0 0 0.0 10 34
137 A 137 ALA A H H < 35TS+ 0 0 -63.7 -31.9 -178.4 56.3 105.8 34.3 133 -3.3 0 0.0 0 0.0 0 0.0 7 23
138 A 138 GLN Q T h < 35TS- 0 0 -91.8 24.5 177.0 -89.9 126.9 85.0 134 -1.8 0 0.0 0 0.0 0 0.0 6 22
139 A 139 GLY G T T <5TS+ 0 0 85.4 8.4 179.0 99.1 95.3 55.5 136 -1.3 0 0.0 0 0.0 0 0.0 6 16
140 A 140 GLY G S t T - 0 0 -134.1 100.2 179.6 -170.4 24.0 151.6 0 0.0 145 -2.2 0 0.0 0 0.0 9 34
142 A 142 GLY G H H > TS+ 0 0 -56.6 -39.7 -179.6 52.3 90.0 27.4 0 0.0 146 -2.3 0 0.0 0 0.0 13 51
143 A 143 ILE I H H > TS+ 0 0 -66.2 -40.5 179.3 49.0 108.2 26.1 0 0.0 147 -2.7 0 0.0 0 0.0 11 48
144 A 144 GLN Q H H > TS+ 0 0 -65.8 -38.1 179.6 50.9 111.2 25.5 0 0.0 148 -3.1 0 0.0 0 0.0 7 43
145 A 145 THR T H H X TS+ 0 0 -63.5 -43.2 179.1 46.1 112.5 22.5 141 -2.2 149 -2.9 0 0.0 0 0.0 13 50
146 A 146 VAL V H H X TS+ 0 0 -64.7 -41.7 179.8 49.8 113.4 25.6 142 -2.3 150 -2.8 0 0.0 0 0.0 16 59
147 A 147 THR T H H X TS+ 0 0 -62.5 -48.4 179.4 44.2 114.2 19.0 143 -2.7 151 -2.1 0 0.0 0 0.0 11 49
148 A 148 ASP D H H X TS+ 0 0 -62.7 -45.0 179.9 50.2 114.3 23.1 144 -3.1 152 -2.4 0 0.0 0 0.0 9 46
149 A 149 LEU L H H X TS+ 0 0 -60.5 -46.2 -179.8 50.2 109.6 21.8 145 -2.9 153 -2.6 0 0.0 0 0.0 14 59
150 A 150 HIS H H H X TS+ 0 0 -60.1 -41.4 178.7 49.6 110.9 25.4 146 -2.8 154 -2.6 0 0.0 0 0.0 13 55
151 A 151 GLN Q H H X TS+ 0 0 -62.7 -43.2 -180.0 50.8 110.5 23.4 147 -2.1 155 -2.0 0 0.0 0 0.0 8 39
152 A 152 LEU L H H X TS+ 0 0 -61.9 -44.1 179.9 44.0 113.3 24.6 148 -2.4 156 -2.5 0 0.0 0 0.0 12 41
153 A 153 LEU L H H X TS+ 0 0 -67.8 -41.8 179.9 58.0 109.4 23.2 149 -2.6 157 -2.5 0 0.0 0 0.0 15 45
154 A 154 LYS K H H < TS+ 0 0 -55.5 -43.8 -179.4 25.9 121.0 26.0 150 -2.6 0 0.0 0 0.0 0 0.0 9 33
155 A 155 MET M H H < TS+ 0 0 -96.8 -18.0 -178.2 29.2 135.5 42.3 151 -2.0 0 0.0 0 0.0 0 0.0 7 24
156 A 156 HIS H H H < TS+ 0 0 -116.9 -13.0 179.3 19.4 133.5 54.2 152 -2.5 0 0.0 0 0.0 0 0.0 7 29
157 A 157 ALA A h < > T + 0 0 -156.1 62.1 -179.2 175.0 67.0 109.9 153 -2.5 160 -2.4 0 0.0 0 0.0 11 33
158 A 158 PRO P T T 3 TS+ 0 0 -42.4 -35.5 -179.0 52.3 77.5 47.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
159 A 159 GLN Q T T 3 TS+ 0 0 -86.3 -9.2 178.9 92.8 90.1 53.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
160 A 160 ALA A t < T - 0 0 -82.3 149.7 -179.1 -147.6 65.7 124.1 157 -2.4 0 0.0 0 0.0 0 0.0 11 49
161 A 161 LYS K E E Ag - 127 0 -121.9 145.2 176.9 -126.4 11.0 156.7 126 -2.5 128 -2.1 0 0.0 0 0.0 13 55
162 A 162 VAL V E E Ag - 128 0 -86.6 131.2 176.8 -166.8 18.5 138.7 0 0.0 183 -1.8 0 0.0 164 -0.6 16 70
163 A 163 LEU L E E Ah - 183 0 -115.7 93.7 -175.4 -149.6 17.1 152.9 128 -2.8 0 0.0 0 0.0 0 0.0 13 83
164 A 164 ALA A E E Ah + 184 0 -71.7 139.2 -178.9 167.4 26.1 118.4 183 -2.3 185 -2.5 162 -0.6 0 0.0 16 75
165 A 165 ALA A B B a + 131 0 -142.7 171.1 179.5 62.5 31.8 152.6 130 -1.6 132 -1.9 0 0.0 0 0.0 12 76
166 A 166 SER S + 0 0 72.6 89.4 -178.6 175.5 58.4 16.0 0 0.0 133 -2.4 0 0.0 0 0.0 12 58
167 A 167 PHE F + 0 0 -131.3 142.6 177.5 169.7 32.5 166.2 0 0.0 0 0.0 0 0.0 0 0.0 12 50
168 A 168 LYS K S S S+ 0 0 -117.0 -20.5 -179.5 30.1 78.6 58.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
169 A 169 THR T S h > > TS- 0 0 -145.0 146.9 179.7 -122.8 73.1 175.7 0 0.0 173 -1.1 0 0.0 172 -1.1 7 37
170 A 170 PRO P H H > 3 TS+ 0 0 -54.3 -32.5 -179.9 67.8 108.2 35.5 0 0.0 174 -2.9 0 0.0 0 0.0 11 36
171 A 171 ARG R H H > 3 TS+ 0 0 -57.4 -40.7 179.2 51.8 97.2 27.8 0 0.0 175 -2.6 0 0.0 0 0.0 6 36
172 A 172 GLN Q H H > < TS+ 0 0 -62.4 -42.5 180.0 47.3 111.5 23.3 169 -1.1 176 -1.8 0 0.0 0 0.0 12 44
173 A 173 ALA A H H X TS+ 0 0 -64.6 -44.9 178.9 51.5 111.0 23.1 169 -1.1 177 -2.2 0 0.0 0 0.0 12 54
174 A 174 LEU L H H X TS+ 0 0 -57.3 -48.0 -179.1 49.3 109.9 20.5 170 -2.9 178 -2.6 0 0.0 0 0.0 8 39
175 A 175 ASP D H H X TS+ 0 0 -62.9 -34.4 178.1 51.6 109.4 32.1 171 -2.6 179 -1.3 0 0.0 0 0.0 9 41
176 A 176 CYS C H H < >TS+ 0 0 -68.1 -39.5 179.5 47.2 111.6 26.2 172 -1.8 181 -1.9 0 0.0 0 0.0 13 51
177 A 177 LEU L H H < >5TS+ 0 0 -68.7 -37.5 179.0 51.5 110.7 28.2 173 -2.2 180 -1.2 0 0.0 0 0.0 10 43
178 A 178 LEU L H H < 35TS+ 0 0 -69.0 -25.6 179.1 60.5 103.1 37.6 174 -2.6 0 0.0 0 0.0 0 0.0 7 29
179 A 179 ALA A T h < 35TS- 0 0 -76.4 -9.6 178.4 -106.0 124.3 55.1 175 -1.3 0 0.0 0 0.0 0 0.0 10 37
180 A 180 GLY G T T <5T + 0 0 99.6 6.3 179.8 173.8 53.1 57.9 177 -1.2 0 0.0 0 0.0 0 0.0 8 41
181 A 181 CYS C t T - 0 0 -73.6 160.1 -177.4 -104.9 40.2 115.2 0 0.0 191 -2.1 0 0.0 0 0.0 11 52
188 A 188 LEU L H H > TS+ 0 0 -58.4 -40.2 -178.8 52.8 115.5 32.3 0 0.0 192 -2.2 0 0.0 0 0.0 9 44
189 A 189 ASP D H H > TS+ 0 0 -65.3 -43.1 179.3 44.8 111.8 21.7 0 0.0 193 -2.1 0 0.0 0 0.0 6 33
190 A 190 VAL V H H > TS+ 0 0 -66.3 -39.6 179.5 53.5 111.8 26.4 0 0.0 194 -1.8 0 0.0 0 0.0 12 37
191 A 191 ALA A H H < TS+ 0 0 -60.9 -43.0 179.9 47.7 110.0 23.4 187 -2.1 0 0.0 0 0.0 0 0.0 11 46
192 A 192 GLN Q H H < > TS+ 0 0 -65.9 -40.4 179.0 51.9 109.6 26.9 188 -2.2 195 -1.2 0 0.0 0 0.0 8 36
193 A 193 GLN Q H H < > TS+ 0 0 -64.1 -32.2 -179.1 64.0 101.2 32.6 189 -2.1 196 -0.9 0 0.0 0 0.0 9 27
194 A 194 MET M T h < 3 TS+ 0 0 -67.5 -15.5 179.9 35.5 111.1 50.0 190 -1.8 0 0.0 0 0.0 0 0.0 8 35
195 A 195 ILE I T T < TS+ 0 0 -121.1 9.1 179.8 76.6 105.2 72.6 192 -1.2 0 0.0 0 0.0 0 0.0 6 31
196 A 196 SER S t < T + 0 0 -126.6 115.9 -178.8 163.7 52.6 163.7 193 -0.9 0 0.0 0 0.0 0 0.0 8 23
197 A 197 TYR Y h > T - 0 0 -136.1 130.1 179.4 -146.2 37.1 172.3 0 0.0 201 -2.6 0 0.0 0 0.0 8 19
198 A 198 PRO P H H > TS+ 0 0 -57.1 -39.1 -179.8 53.1 105.8 28.0 0 0.0 202 -2.1 0 0.0 0 0.0 6 14
199 A 199 ALA A H H > TS+ 0 0 -64.8 -39.2 179.7 47.6 109.6 28.5 0 0.0 203 -1.8 0 0.0 0 0.0 6 14
200 A 200 VAL V H H > TS+ 0 0 -68.0 -45.9 179.7 49.3 111.7 21.1 0 0.0 204 -2.7 0 0.0 0 0.0 8 16
201 A 201 ASP D H H X TS+ 0 0 -60.7 -37.3 179.5 52.1 110.4 28.5 197 -2.6 205 -2.7 0 0.0 0 0.0 9 16
202 A 202 ALA A H H X TS+ 0 0 -66.2 -39.2 179.8 46.1 111.6 28.3 198 -2.1 206 -1.7 0 0.0 0 0.0 8 15
203 A 203 ALA A H H X TS+ 0 0 -67.1 -49.0 -178.6 44.6 116.0 20.2 199 -1.8 207 -1.9 0 0.0 0 0.0 8 15
204 A 204 VAL V H H X TS+ 0 0 -62.6 -46.2 179.1 51.6 111.8 25.5 200 -2.7 208 -2.9 0 0.0 0 0.0 8 19
205 A 205 ALA A H H X TS+ 0 0 -58.3 -42.6 179.5 51.3 109.9 24.8 201 -2.7 209 -2.6 0 0.0 0 0.0 8 20
206 A 206 LYS K H H X TS+ 0 0 -61.9 -41.7 178.9 48.3 110.2 26.8 202 -1.7 210 -2.4 0 0.0 0 0.0 8 17
207 A 207 PHE F H H X TS+ 0 0 -63.6 -46.0 -179.6 48.5 112.8 21.3 203 -1.9 211 -2.2 0 0.0 0 0.0 8 21
208 A 208 GLU E H H X TS+ 0 0 -61.5 -41.6 -180.0 48.1 112.5 28.1 204 -2.9 212 -2.3 0 0.0 0 0.0 9 20
209 A 209 GLN Q H H X TS+ 0 0 -67.7 -44.4 179.3 48.3 111.7 24.0 205 -2.6 213 -2.2 0 0.0 0 0.0 8 19
210 A 210 ASP D H H X TS+ 0 0 -62.3 -41.2 -179.0 47.6 114.4 25.8 206 -2.4 214 -1.4 0 0.0 0 0.0 8 18
211 A 211 TRP W H H X TS+ 0 0 -67.3 -46.5 179.4 46.0 112.7 23.4 207 -2.2 215 -3.0 0 0.0 0 0.0 11 17
212 A 212 GLN Q H H X TS+ 0 0 -64.8 -36.3 179.7 53.4 112.2 29.0 208 -2.3 216 -2.0 0 0.0 0 0.0 10 16
213 A 213 GLY G H H < TS+ 0 0 -67.8 -29.8 -178.7 37.2 117.1 34.6 209 -2.2 0 0.0 0 0.0 0 0.0 7 15
214 A 214 ALA A H H < TS+ 0 0 -92.3 -33.9 -178.7 17.1 135.6 35.7 210 -1.4 0 0.0 0 0.0 0 0.0 6 14
215 A 215 PHE F H H < TS- 0 0 -121.2 3.1 179.5 -130.8 88.3 67.8 211 -3.0 0 0.0 0 0.0 0 0.0 6 13
216 A 216 GLY G S h < TS+ 0 0 50.9 32.5 179.5 105.5 73.5 37.1 212 -2.0 0 0.0 0 0.0 0 0.0 7 13
217 A 217 ARG R - 0 0 -139.0 156.8 -179.8 -146.3 65.6 162.7 0 0.0 0 0.0 0 0.0 0 0.0 7 14
218 A 218 THR T S S S+ 0 0 -104.4 7.8 -179.7 51.2 84.4 73.3 0 0.0 0 0.0 0 0.0 0 0.0 7 16
219 A 219 SER S 0 0 -135.9 172.7 179.2 999.9 999.9 146.4 0 0.0 0 0.0 0 0.0 0 0.0 3 15
220 A 220 ILE I 0 0 -77.8 999.9 999.9 999.9 999.9 120.6 0 0.0 0 0.0 0 0.0 0 0.0 3 13
1l6wA.pdb
1L6W LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE HHHHHHHHTTS EEE HHHHHHH S HHHHHHHHHHHTTT SEEEEE SSHHHHHHHHHHHHHHSTT EEEEE SHHHHHHHHHHH Kabs/Sand
chirality -+--+-+-++++++++++---------++++++-+--+++++++++++--++---+---+-+-++++++++++++++-++------+-+++++++++++ chirality
bends SSSSSSSSSSS SSSSSSS S SSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5 5-turns
3-turns >>3<< >>3<< >33< >>3X<3< >33<>33< > 3-turns
bridge-2 bbb ccc ddd eeee bridge-2
bridge-1 aaaa bbb ccc ddd bridge-1
sheets AAAAA AAA AAAAA AAAAA sheets
4-turns >>>>XX>>>X<<<< >>4>XX>XX<<<< >>>>XXXXXXXX<<<< >>>>XXXXXXX< 4-turns
summary EEEEEe hHHHHHHHHhTt eEEEehHHHHHHHhShHHHHHHHHHHHhTTtSEEEEEe ShHHHHHHHHHHHHHHhTTtEEEEEehHHHHHHHHHHH summary
sequence MELYLDTSDVVAVKALSRIFPLAGVTTNPSIIAAGKKPLDVVLPQLHEAMGGQGRLFAQVMATTAEGMVNDALKLRSIIADIVVKVPVTAEGLAAIKMLK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHT EEEEEE SHHHHHHHHHHT SEEEEBHHHHHHTTS HHHHHHHHHHHHHHH TT EEEEB SSHHHHHHHHHTT SEEEE HHHHHHTT HHH Kabs/Sand
chirality +-+-----++++-+++++++++-+-+-----++++++-+--++++++++++++++++++----+++++-+++++++++-+-+-----+++++++++-+++ chirality
bends SS S SSSSSSSSSSSS S SSSSSSSSS SSSSSSSSSSSSSSS SS SSSSSSSSSSSS S SSSSSSSS SSS bends
turns TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns 555< >5555< >5555< >5555< 5-turns
3-turns 33< >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 ff**f gg hh bridge-2
bridge-1 eeee ff*fa gghha aaaa bridge-1
sheets AAAAAA AAAA AAAA AAAA sheets
4-turns <<< >>>>XXXX<<<< >>>><<<< >>>>XXXXXXXXX<<<< >>>>XXX<<<< >>>><<<< >>>> 4-turns
summary HHhteEEEEEE hHHHHHHHHHHhteEEEEhHHHHHHhTthHHHHHHHHHHHHHHHhTTtEEEEB ShHHHHHHHHHhTteEEEEhHHHHHHhTthHHH summary
sequence AEGIPTLGTAVYGAAQGLLSALAGAEYVAPYVNRIDAQGGSGIQTVTDLHQLLKMHAPQAKVLAASFKTPRQALDCLLAGCESITLPLDVAQQMISYPAV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHS S Kabs/Sand
chirality ++++++++++++++-+-+ chirality
bends SSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHHh S summary
sequence DAAVAKFEQDWQGAFGRTSI sequence
210 220