Secondary structure calculation program - copyright by David Keith Smith, 1989
1i6pA.pdb
1I6P LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 214
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 2 LYS K 0 0 999.9 141.7 179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 9
2 A 3 ASP D h > T - 0 0 -117.4 177.2 -179.3 -93.2 999.9 129.5 0 0.0 6 -1.1 0 0.0 0 0.0 5 9
3 A 4 ILE I H H > > TS+ 0 0 -58.6 -48.3 -179.5 54.7 121.2 24.1 0 0.0 7 -2.0 0 0.0 6 -0.7 6 10
4 A 5 ASP D H H > 3 TS+ 0 0 -56.5 -34.4 180.0 55.9 105.1 31.3 0 0.0 8 -2.3 0 0.0 0 0.0 6 12
5 A 6 THR T H H > 3 TS+ 0 0 -67.6 -33.4 179.9 49.9 106.1 33.2 0 0.0 9 -2.3 0 0.0 0 0.0 8 12
6 A 7 LEU L H H X < TS+ 0 0 -71.7 -43.1 179.6 45.2 113.0 24.5 2 -1.1 10 -1.9 3 -0.7 0 0.0 9 13
7 A 8 ILE I H H X TS+ 0 0 -65.9 -42.8 -179.7 47.0 116.0 24.7 3 -2.0 11 -2.1 0 0.0 0 0.0 8 14
8 A 9 SER S H H X TS+ 0 0 -66.6 -44.8 179.2 48.8 112.2 22.8 4 -2.3 12 -2.3 0 0.0 0 0.0 8 15
9 A 10 ASN N H H X TS+ 0 0 -63.0 -36.2 179.5 52.5 110.7 29.6 5 -2.3 13 -2.7 0 0.0 0 0.0 8 16
10 A 11 ASN N H H X TS+ 0 0 -64.9 -45.2 179.6 49.6 108.4 22.1 6 -1.9 14 -2.7 0 0.0 0 0.0 8 17
11 A 12 ALA A H H X TS+ 0 0 -60.0 -44.7 -179.7 42.6 116.0 22.1 7 -2.1 15 -1.6 0 0.0 0 0.0 8 15
12 A 13 LEU L H H X TS+ 0 0 -70.2 -36.5 179.2 54.5 112.2 29.6 8 -2.3 16 -2.4 0 0.0 0 0.0 8 17
13 A 14 TRP W H H X TS+ 0 0 -61.1 -47.3 -179.7 51.0 107.0 21.7 9 -2.7 17 -1.5 0 0.0 0 0.0 8 20
14 A 15 SER S H H X TS+ 0 0 -57.8 -45.4 179.8 46.5 112.0 25.5 10 -2.7 18 -0.6 0 0.0 0 0.0 8 20
15 A 16 LYS K H H X > TS+ 0 0 -64.4 -46.5 -179.4 55.0 108.4 22.8 11 -1.6 18 -1.2 0 0.0 19 -0.6 8 18
16 A 17 MET M H H < 3 TS+ 0 0 -58.5 -30.8 -179.7 66.7 96.8 38.3 12 -2.4 0 0.0 0 0.0 0 0.0 8 17
17 A 18 LEU L H H X > TS+ 0 0 -62.0 -31.5 -179.9 65.2 89.6 36.7 13 -1.5 21 -2.8 0 0.0 20 -1.3 10 17
18 A 19 VAL V H H < < TS+ 0 0 -58.2 -44.1 -178.6 30.5 113.6 24.9 15 -1.2 0 0.0 14 -0.6 0 0.0 9 16
19 A 20 GLU E T h < 3 TS+ 0 0 -109.8 37.6 180.0 38.0 129.7 98.8 15 -0.6 0 0.0 0 0.0 0 0.0 7 13
20 A 21 GLU E T T 4 < TS- 0 0 -151.4 -31.3 179.8 -0.3 137.7 68.5 17 -1.3 0 0.0 0 0.0 0 0.0 6 14
21 A 22 ASP D t < > T + 0 0 -168.1 67.3 -179.6 171.9 64.1 107.5 17 -2.8 24 -2.0 0 0.0 0 0.0 7 18
22 A 23 PRO P T T 3 TS+ 0 0 -54.3 -30.2 -179.6 56.2 79.7 42.0 0 0.0 0 0.0 0 0.0 0 0.0 8 16
23 A 24 GLY G T T > > TS+ 0 0 -90.0 12.5 -179.4 114.4 70.8 73.6 0 0.0 26 -1.4 0 0.0 27 -0.7 7 19
24 A 25 PHE F T T 4 < TS+ 0 0 -48.7 -43.7 -178.6 36.0 84.9 31.2 21 -2.0 0 0.0 0 0.0 0 0.0 8 23
25 A 26 PHE F T h > 3 TS+ 0 0 -92.6 -1.6 179.9 96.6 90.1 62.2 0 0.0 29 -3.8 0 0.0 0 0.0 7 23
26 A 27 GLU E H H > < TS+ 0 0 -52.0 -48.5 179.2 45.4 88.1 23.1 23 -1.4 30 -1.6 0 0.0 0 0.0 7 20
27 A 28 LYS K H H < TS+ 0 0 -59.8 -51.5 -179.8 46.4 115.7 17.1 23 -0.7 0 0.0 0 0.0 0 0.0 10 20
28 A 29 LEU L H H 4 TS+ 0 0 -56.5 -51.1 179.9 58.0 106.2 21.2 0 0.0 0 0.0 0 0.0 0 0.0 10 21
29 A 30 ALA A H H < TS+ 0 0 -48.3 -40.3 179.5 74.8 96.0 30.4 25 -3.8 31 -0.7 0 0.0 0 0.0 6 16
30 A 31 GLN Q S h < TS- 0 0 -80.6 115.9 -179.4 -114.9 101.1 133.2 26 -1.6 32 -1.3 0 0.0 0 0.0 6 15
31 A 32 ALA A + 0 0 -52.8 87.5 179.8 166.4 51.3 105.6 29 -0.7 33 -0.6 0 0.0 0 0.0 6 18
32 A 33 GLN Q - 0 0 -114.0 109.6 -179.9 -139.9 29.2 157.3 30 -1.3 0 0.0 0 0.0 0 0.0 8 26
33 A 34 LYS K - 0 0 -66.4 140.8 179.9 -106.4 27.9 112.0 31 -0.6 0 0.0 0 0.0 0 0.0 8 31
34 A 35 PRO P - 0 0 -67.0 150.7 179.1 -156.0 18.4 109.4 0 0.0 0 0.0 0 0.0 0 0.0 11 39
35 A 36 ARG R S e S+ 0 0 -100.4 -15.8 -178.5 57.3 75.0 54.7 58 -1.3 90 -2.0 0 0.0 91 -1.8 12 40
36 A 37 PHE F E E Aab - 91 59 -123.9 141.7 175.9 -157.5 60.8 159.7 58 -1.4 60 -2.9 0 0.0 38 -0.5 12 46
37 A 38 LEU L E E Aab - 92 60 -112.1 125.1 179.6 -161.2 16.9 165.8 91 -2.5 93 -3.2 0 0.0 39 -0.5 15 57
38 A 39 TRP W E E Aab - 93 61 -112.9 122.7 178.1 -172.3 8.8 160.8 60 -3.1 62 -2.6 36 -0.5 40 -0.6 13 68
39 A 40 ILE I E E Aab + 94 62 -113.1 111.1 -178.2 148.9 27.9 162.9 93 -3.2 95 -2.4 37 -0.5 0 0.0 12 67
40 A 41 GLY G E E A b - 0 63 -132.5 -173.3 -178.9 -74.1 45.7 132.7 62 -2.4 64 -1.6 38 -0.6 0 0.0 14 63
41 A 42 CYS C E E A b> T - 0 64 -89.6 147.5 179.0 -126.7 31.1 127.2 0 0.0 44 -1.5 0 0.0 0 0.0 13 51
42 A 43 SER S T e 3 TS+ 0 0 -60.6 -22.6 179.0 75.9 105.6 41.8 64 -1.7 0 0.0 0 0.0 0 0.0 9 33
43 A 44 ASP D T T 3 TS- 0 0 -56.1 -37.5 179.2 -175.3 73.5 29.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
44 A 45 SER S t < T + 0 0 39.8 53.3 -179.3 173.8 7.9 29.8 41 -1.5 0 0.0 0 0.0 0 0.0 8 38
45 A 46 ARG R S S S+ 0 0 -54.4 -47.9 176.5 17.1 74.2 24.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
46 A 47 VAL V S S S- 0 0 -128.2 120.8 -180.0 -112.4 97.7 172.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
47 A 48 PRO P h > T - 0 0 -51.8 141.6 179.9 -128.4 17.8 99.9 0 0.0 51 -2.3 0 0.0 0 0.0 7 39
48 A 49 ALA A H H > TS+ 0 0 -60.0 -36.8 -179.6 57.7 109.6 30.7 0 0.0 52 -2.2 0 0.0 0 0.0 9 45
49 A 50 GLU E H H > TS+ 0 0 -62.3 -38.3 -179.8 43.5 109.6 29.5 0 0.0 53 -2.0 0 0.0 0 0.0 9 33
50 A 51 ARG R H H 4 TS+ 0 0 -75.0 -39.0 179.6 53.7 111.9 29.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
51 A 52 LEU L H H < TS+ 0 0 -62.1 -40.5 -176.9 22.9 125.1 28.9 47 -2.3 0 0.0 0 0.0 0 0.0 10 36
52 A 53 THR T H H < TS- 0 0 -103.7 -21.3 -179.1 -123.1 97.4 49.0 48 -2.2 0 0.0 0 0.0 0 0.0 6 39
53 A 54 GLY G h < T + 0 0 85.5 12.9 179.0 157.5 54.2 50.5 49 -2.0 0 0.0 0 0.0 0 0.0 6 18
54 A 55 LEU L - 0 0 -71.6 148.3 -179.9 -124.4 38.4 115.0 0 0.0 0 0.0 0 0.0 0 0.0 9 28
55 A 56 GLU E t > T - 0 0 -90.3 158.8 179.8 -80.6 38.4 122.3 0 0.0 58 -2.0 0 0.0 0 0.0 6 30
56 A 57 PRO P T T 3 TS+ 0 0 -59.7 139.4 -179.8 29.4 118.0 108.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
57 A 58 GLY G T T 3 TS+ 0 0 96.1 -13.7 -179.5 94.6 94.6 76.3 0 0.0 0 0.0 0 0.0 0 0.0 10 32
58 A 59 GLU E S e < TS+ 0 0 -85.4 -14.9 179.9 49.1 83.2 50.0 55 -2.0 36 -1.4 0 0.0 35 -1.3 11 39
59 A 60 LEU L E E Ab - 36 0 -133.0 145.1 178.2 -149.0 63.0 165.8 0 0.0 0 0.0 0 0.0 0 0.0 11 43
60 A 61 PHE F E E Ab - 37 0 -101.1 140.1 -175.6 -153.1 32.8 148.6 36 -2.9 38 -3.1 0 0.0 0 0.0 11 45
61 A 62 VAL V E E Ab + 38 0 -132.9 139.1 175.4 174.5 26.8 163.2 0 0.0 0 0.0 0 0.0 0 0.0 8 51
62 A 63 HIS H E E Ab - 39 0 -131.6 135.3 178.5 -178.0 12.0 176.3 38 -2.6 40 -2.4 0 0.0 0 0.0 10 47
63 A 64 ARG R E E Ab + 40 0 -137.0 133.8 177.8 154.1 10.7 177.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
64 A 65 ASN N E E Ab > T - 41 0 -144.3 175.1 -178.9 -59.0 57.1 150.8 40 -1.6 42 -1.7 0 0.0 67 -1.7 9 46
65 A 66 VAL V T T 3 TS- 0 0 -68.4 116.8 179.8 -6.8 121.8 119.4 0 0.0 0 0.0 0 0.0 0 0.0 9 49
66 A 67 ALA A T T 3 TS- 0 0 72.8 23.7 178.6 -90.4 109.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 13 61
67 A 68 ASN N t < T + 0 0 40.4 59.6 -179.5 178.2 68.4 28.3 64 -1.7 0 0.0 0 0.0 0 0.0 14 67
68 A 69 LEU L - 0 0 -94.3 150.7 176.1 -160.4 32.1 127.8 0 0.0 0 0.0 0 0.0 0 0.0 8 69
69 A 70 VAL V - 0 0 -125.6 81.0 -179.6 -168.2 21.5 142.3 0 0.0 0 0.0 0 0.0 0 0.0 11 58
70 A 71 ILE I t > T - 0 0 -74.1 135.1 -178.2 -123.5 28.3 124.2 0 0.0 73 -2.0 0 0.0 0 0.0 9 46
71 A 72 HIS H T T 3 TS+ 0 0 -46.5 -37.9 -175.9 34.0 109.5 35.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
72 A 73 THR T T T 3 TS+ 0 0 -113.2 25.9 178.4 120.4 80.9 87.5 0 0.0 74 -1.0 0 0.0 0 0.0 5 25
73 A 74 ASP D h > < T - 0 0 -93.6 102.3 -178.7 -171.9 38.5 142.3 70 -2.0 77 -2.6 0 0.0 0 0.0 8 32
74 A 75 LEU L H H > TS+ 0 0 -65.1 -25.0 179.0 63.5 80.2 42.1 72 -1.0 78 -2.1 0 0.0 0 0.0 6 24
75 A 76 ASN N H H > TS+ 0 0 -62.2 -57.9 179.8 33.7 113.0 7.2 0 0.0 79 -1.6 0 0.0 0 0.0 6 27
76 A 77 CYS C H H > TS+ 0 0 -64.0 -42.8 179.9 53.5 118.1 26.4 0 0.0 80 -2.3 0 0.0 0 0.0 10 44
77 A 78 LEU L H H X TS+ 0 0 -62.2 -34.5 179.9 53.8 106.4 31.5 73 -2.6 81 -2.8 0 0.0 0 0.0 11 44
78 A 79 SER S H H X TS+ 0 0 -67.5 -38.8 178.5 49.4 108.3 27.4 74 -2.1 82 -2.1 0 0.0 0 0.0 8 35
79 A 80 VAL V H H X TS+ 0 0 -64.1 -45.4 -179.6 46.0 114.2 21.3 75 -1.6 83 -2.5 0 0.0 0 0.0 9 44
80 A 81 VAL V H H X TS+ 0 0 -63.8 -47.8 -179.2 48.6 112.2 21.5 76 -2.3 84 -3.2 0 0.0 0 0.0 10 58
81 A 82 GLN Q H H X >TS+ 0 0 -60.4 -44.7 178.8 47.3 113.9 21.8 77 -2.8 85 -2.6 0 0.0 86 -0.7 10 44
82 A 83 TYR Y H H X >TS+ 0 0 -61.1 -47.8 -179.7 46.1 115.3 19.5 78 -2.1 87 -2.3 0 0.0 86 -1.5 9 37
83 A 84 ALA A H H < 5TS+ 0 0 -62.0 -45.5 -178.7 36.8 121.1 24.0 79 -2.5 89 -2.4 0 0.0 0 0.0 12 45
84 A 85 VAL V H H < 5TS+ 0 0 -74.5 -53.7 -178.2 30.0 127.6 17.0 80 -3.2 0 0.0 0 0.0 0 0.0 14 48
85 A 86 ASP D H H < 5TS+ 0 0 -78.9 -36.0 -178.4 25.2 133.3 32.7 81 -2.6 0 0.0 0 0.0 0 0.0 8 36
86 A 87 VAL V T h < T - 0 180 -150.2 141.6 -179.7 -106.6 19.1 173.5 0 0.0 100 -1.3 0 0.0 0 0.0 11 56
98 A 99 TYR Y T e 3 TS+ 0 0 -65.3 138.7 -179.5 27.3 105.4 113.4 180 -1.9 0 0.0 0 0.0 0 0.0 10 50
99 A 100 GLY G T T 3 TS+ 0 0 84.9 11.2 179.5 173.7 81.5 53.3 0 0.0 0 0.0 0 0.0 0 0.0 10 42
100 A 101 CYS C h > < T - 0 0 -54.2 127.2 179.8 -141.6 31.5 107.6 97 -1.3 104 -2.2 0 0.0 0 0.0 11 47
101 A 102 GLY G H H > TS+ 0 0 -61.0 -34.7 -179.5 53.8 99.7 31.5 0 0.0 105 -2.5 0 0.0 0 0.0 8 43
102 A 103 GLY G H H > TS+ 0 0 -66.5 -46.8 179.5 47.2 108.4 21.6 0 0.0 106 -1.8 0 0.0 0 0.0 9 52
103 A 104 VAL V H H > TS+ 0 0 -60.4 -46.1 -179.5 47.4 114.6 22.0 0 0.0 107 -1.1 0 0.0 0 0.0 14 55
104 A 105 GLN Q H H X > TS+ 0 0 -62.6 -46.3 179.6 52.0 109.8 21.8 100 -2.2 108 -2.8 0 0.0 107 -0.8 10 44
105 A 106 ALA A H H X 3 TS+ 0 0 -59.8 -33.2 -179.8 58.1 104.6 32.2 101 -2.5 109 -2.0 0 0.0 0 0.0 10 39
106 A 107 ALA A H H < 3 TS+ 0 0 -67.1 -30.1 -180.0 40.2 112.5 34.9 102 -1.8 0 0.0 0 0.0 0 0.0 13 42
107 A 108 VAL V H H < < TS+ 0 0 -83.9 -48.2 -179.7 42.5 118.9 23.9 103 -1.1 0 0.0 104 -0.8 0 0.0 8 43
108 A 109 GLU E H H < TS- 0 0 -69.8 -25.5 178.5 -152.9 93.3 40.6 104 -2.8 0 0.0 0 0.0 0 0.0 6 28
109 A 110 ASN N h < T + 0 0 56.4 45.6 179.4 177.5 21.8 29.2 105 -2.0 0 0.0 0 0.0 0 0.0 7 28
110 A 111 PRO P - 0 0 -74.2 163.4 179.0 -99.7 42.0 110.9 0 0.0 112 -1.2 0 0.0 0 0.0 6 21
111 A 112 GLU E + 0 0 -85.7 98.6 -177.8 151.4 59.8 136.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
112 A 113 LEU L - 0 0 -105.0 -11.9 -179.1 -122.5 47.9 57.5 110 -1.2 0 0.0 0 0.0 0 0.0 6 20
113 A 114 GLY G S t > TS+ 0 0 108.2 -149.2 -178.4 0.9 74.0 143.2 0 0.0 116 -2.2 0 0.0 0 0.0 5 16
114 A 115 LEU L T h > > TS+ 0 0 -47.4 -39.7 -178.8 67.8 120.6 37.8 0 0.0 117 -1.8 0 0.0 118 -0.7 6 16
115 A 116 ILE I H H > 3 TS+ 0 0 -56.8 -26.6 -180.0 75.2 83.1 40.4 0 0.0 119 -2.3 0 0.0 0 0.0 7 28
116 A 117 ASN N H H > < TS+ 0 0 -57.5 -29.9 179.6 56.0 91.0 35.7 113 -2.2 120 -0.8 0 0.0 0 0.0 11 27
117 A 118 ASN N H H 4 X TS+ 0 0 -68.7 -41.2 179.1 47.3 107.6 25.5 114 -1.8 120 -0.5 0 0.0 0 0.0 7 28
118 A 119 TRP W H H < > TS+ 0 0 -64.3 -42.9 -178.8 55.2 109.7 23.9 114 -0.7 121 -1.3 0 0.0 0 0.0 7 41
119 A 120 LEU L H H X > TS+ 0 0 -67.8 -16.5 179.6 79.9 85.6 50.6 115 -2.3 123 -1.5 0 0.0 122 -1.2 12 42
120 A 121 LEU L H H X < TS+ 0 0 -63.1 -23.9 179.2 65.7 83.3 39.3 116 -0.8 124 -1.9 117 -0.5 0 0.0 9 38
121 A 122 HIS H H H > < TS+ 0 0 -65.9 -30.4 179.1 47.5 102.5 33.4 118 -1.3 125 -0.9 0 0.0 0 0.0 9 42
122 A 123 ILE I H H > < TS+ 0 0 -77.3 -38.2 178.7 55.0 106.9 29.1 119 -1.2 126 -2.1 0 0.0 0 0.0 10 52
123 A 124 ARG R H H X TS+ 0 0 -62.8 -33.8 178.0 58.3 102.5 30.0 119 -1.5 127 -2.3 0 0.0 0 0.0 10 41
124 A 125 ASP D H H X TS+ 0 0 -60.3 -38.1 -179.8 47.6 107.2 26.6 120 -1.9 128 -2.2 0 0.0 0 0.0 8 38
125 A 126 ILE I H H X TS+ 0 0 -68.7 -40.5 179.7 53.9 108.6 27.3 121 -0.9 129 -1.9 0 0.0 0 0.0 11 47
126 A 127 TRP W H H < TS+ 0 0 -61.7 -40.9 179.0 45.3 111.4 27.2 122 -2.1 0 0.0 0 0.0 0 0.0 10 43
127 A 128 PHE F H H < > TS+ 0 0 -67.8 -44.7 -179.3 58.2 108.5 22.1 123 -2.3 130 -1.8 0 0.0 0 0.0 7 29
128 A 129 LYS K H H < 3 TS+ 0 0 -53.1 -42.3 -178.8 35.3 114.5 30.8 124 -2.2 0 0.0 0 0.0 0 0.0 6 31
129 A 130 HIS H T h X 3 TS+ 0 0 -105.9 30.0 -179.8 124.8 79.5 89.9 125 -1.9 133 -2.5 0 0.0 0 0.0 8 37
130 A 131 SER S H H > < TS+ 0 0 -52.8 -53.0 -179.5 46.6 75.0 22.9 127 -1.8 134 -2.2 0 0.0 0 0.0 8 29
131 A 132 SER S H H 4 TS+ 0 0 -57.9 -47.4 179.9 50.8 112.1 22.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
132 A 133 LEU L H H 4 > TS+ 0 0 -57.5 -46.5 -179.4 47.4 111.8 22.9 0 0.0 135 -1.1 0 0.0 0 0.0 9 33
133 A 134 LEU L H H < > TS+ 0 0 -65.5 -37.4 -179.5 56.6 106.3 29.8 129 -2.5 136 -1.6 0 0.0 0 0.0 10 34
134 A 135 GLY G T h < 3 TS+ 0 0 -72.4 -3.8 -179.0 66.6 97.5 56.5 130 -2.2 0 0.0 0 0.0 0 0.0 9 25
135 A 136 GLU E T G < TS+ 0 0 -96.9 5.1 -179.7 66.0 97.0 70.5 132 -1.1 0 0.0 0 0.0 0 0.0 7 26
136 A 137 MET M S g < TS- 0 0 -127.6 158.7 179.8 -78.9 97.7 152.1 133 -1.6 0 0.0 0 0.0 0 0.0 8 26
137 A 138 PRO P g > T - 0 0 -55.2 140.3 -178.6 -122.8 41.8 103.7 0 0.0 140 -1.6 0 0.0 0 0.0 7 19
138 A 139 GLN Q G G > TS+ 0 0 -52.2 -45.5 -178.7 60.9 107.4 31.1 0 0.0 141 -1.5 0 0.0 0 0.0 6 20
139 A 140 GLU E G G 3 TS+ 0 0 -60.7 -17.1 -179.4 46.9 107.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
140 A 141 ARG R G h > < TS+ 0 0 -104.0 -3.1 -178.4 88.2 86.9 61.7 137 -1.6 144 -1.9 0 0.0 0 0.0 8 31
141 A 142 ARG R H H > < TS+ 0 0 -64.8 -42.0 -179.8 48.6 87.0 27.4 138 -1.5 145 -2.2 0 0.0 0 0.0 11 41
142 A 143 LEU L H H > TS+ 0 0 -66.4 -41.5 179.0 47.4 113.4 24.1 0 0.0 146 -1.9 0 0.0 0 0.0 10 45
143 A 144 ASP D H H > TS+ 0 0 -65.8 -36.3 179.5 51.7 111.8 28.6 0 0.0 147 -1.4 0 0.0 0 0.0 9 48
144 A 145 THR T H H X TS+ 0 0 -67.3 -38.4 179.5 52.7 106.6 27.8 140 -1.9 148 -2.9 0 0.0 0 0.0 9 55
145 A 146 LEU L H H X TS+ 0 0 -63.1 -39.0 178.9 57.2 104.6 25.7 141 -2.2 149 -2.9 0 0.0 0 0.0 11 63
146 A 147 CYS C H H X TS+ 0 0 -57.6 -40.2 179.8 42.7 110.9 27.3 142 -1.9 150 -1.4 0 0.0 0 0.0 14 64
147 A 148 GLU E H H X TS+ 0 0 -73.6 -42.9 179.1 52.5 112.2 25.2 143 -1.4 151 -2.3 0 0.0 0 0.0 11 65
148 A 149 LEU L H H X TS+ 0 0 -59.5 -39.1 179.6 56.4 105.7 26.6 144 -2.9 152 -2.5 0 0.0 0 0.0 10 68
149 A 150 ASN N H H X TS+ 0 0 -58.5 -48.6 179.1 47.5 107.4 19.5 145 -2.9 153 -2.1 0 0.0 0 0.0 11 71
150 A 151 VAL V H H X TS+ 0 0 -58.4 -47.2 -179.8 50.7 111.6 21.6 146 -1.4 154 -2.1 0 0.0 0 0.0 16 71
151 A 152 MET M H H X TS+ 0 0 -59.3 -41.1 179.8 49.9 110.1 27.1 147 -2.3 155 -2.0 0 0.0 0 0.0 13 64
152 A 153 GLU E H H X TS+ 0 0 -67.5 -35.0 179.8 50.3 110.0 30.5 148 -2.5 156 -2.6 0 0.0 0 0.0 9 60
153 A 154 GLN Q H H X TS+ 0 0 -71.4 -34.8 177.6 51.8 108.7 30.3 149 -2.1 157 -2.9 0 0.0 0 0.0 12 69
154 A 155 VAL V H H X TS+ 0 0 -63.1 -43.0 179.9 48.0 111.8 22.2 150 -2.1 158 -2.4 0 0.0 0 0.0 14 66
155 A 156 TYR Y H H X TS+ 0 0 -62.6 -45.7 179.1 49.4 111.9 23.4 151 -2.0 159 -1.4 0 0.0 0 0.0 11 57
156 A 157 ASN N H H X TS+ 0 0 -60.3 -47.6 -179.6 48.1 111.5 21.5 152 -2.6 160 -0.6 0 0.0 0 0.0 11 50
157 A 158 LEU L H H < > TS+ 0 0 -60.9 -41.8 -179.8 54.5 108.7 24.6 153 -2.9 160 -1.1 0 0.0 0 0.0 10 62
158 A 159 GLY G H H < 3 TS+ 0 0 -62.9 -29.1 179.8 49.1 109.0 37.3 154 -2.4 0 0.0 0 0.0 0 0.0 12 56
159 A 160 HIS H H H < 3 TS+ 0 0 -90.0 -4.3 178.8 110.9 84.2 59.7 155 -1.4 0 0.0 0 0.0 0 0.0 8 44
160 A 161 SER S S h X < TS- 0 0 -64.8 155.4 179.8 -117.4 81.5 108.4 157 -1.1 164 -2.2 156 -0.6 0 0.0 9 43
161 A 162 THR T H H > TS+ 0 0 -63.9 -28.8 180.0 63.1 113.5 35.2 0 0.0 165 -2.4 0 0.0 0 0.0 6 35
162 A 163 ILE I H H > TS+ 0 0 -60.7 -52.8 179.9 35.4 109.5 18.6 0 0.0 166 -1.7 0 0.0 0 0.0 10 47
163 A 164 MET M H H > TS+ 0 0 -70.9 -39.0 179.8 55.8 115.7 28.4 0 0.0 167 -2.6 0 0.0 0 0.0 11 54
164 A 165 GLN Q H H X TS+ 0 0 -60.2 -44.6 -179.7 43.3 111.5 22.4 160 -2.2 168 -1.8 0 0.0 0 0.0 11 35
165 A 166 SER S H H X TS+ 0 0 -70.0 -37.2 179.4 53.6 112.2 28.2 161 -2.4 169 -2.2 0 0.0 0 0.0 8 31
166 A 167 ALA A H H < >TS+ 0 0 -62.1 -48.9 179.3 41.9 113.3 19.8 162 -1.7 171 -2.8 0 0.0 0 0.0 13 38
167 A 168 TRP W H H < >5TS+ 0 0 -66.7 -33.6 -179.8 58.4 111.4 31.6 163 -2.6 170 -1.2 0 0.0 0 0.0 13 36
168 A 169 LYS K H H < 35TS+ 0 0 -63.7 -41.5 179.7 47.3 105.4 26.8 164 -1.8 0 0.0 0 0.0 0 0.0 7 25
169 A 170 ARG R T h < 35TS- 0 0 -82.9 9.1 178.4 -106.0 124.1 70.0 165 -2.2 0 0.0 0 0.0 0 0.0 6 18
170 A 171 GLY G T T <5T + 0 0 77.8 23.6 179.4 161.4 61.4 44.2 167 -1.2 0 0.0 0 0.0 0 0.0 6 22
171 A 172 GLN Q t > T - 0 0 -121.3 156.9 -179.6 -128.0 19.4 150.4 186 -0.5 185 -2.1 0 0.0 184 -0.8 11 39
182 A 183 ILE I T T 4 3 TS+ 0 0 -78.4 -6.2 179.8 76.9 99.1 58.1 0 0.0 0 0.0 0 0.0 0 0.0 9 28
183 A 184 HIS H T T 4 3 TS- 0 0 -75.2 -25.8 -179.8 -9.0 125.1 38.4 0 0.0 0 0.0 0 0.0 0 0.0 4 17
184 A 185 ASP D T T 4 < TS- 0 0 -150.3 -2.9 -180.0 -121.8 82.4 66.0 181 -0.8 0 0.0 0 0.0 0 0.0 5 18
185 A 186 GLY G t < T + 0 0 62.1 21.7 -178.7 156.5 57.5 44.0 181 -2.1 187 -0.5 0 0.0 0 0.0 9 27
186 A 187 LEU L e - 0 0 -86.9 123.0 179.1 -129.9 41.2 133.8 0 0.0 181 -0.5 0 0.0 0 0.0 7 26
187 A 188 LEU L E E AD - 180 0 -70.6 138.7 -179.8 -157.4 19.8 118.1 185 -0.5 0 0.0 0 0.0 0 0.0 9 37
188 A 189 ARG R E E AD - 179 0 -123.5 118.2 -179.9 -142.8 8.5 166.4 179 -2.7 179 -1.3 0 0.0 190 -0.7 7 37
189 A 190 ASP D E E AD - 178 0 -81.9 116.1 -179.4 -159.5 3.0 134.3 0 0.0 0 0.0 0 0.0 0 0.0 9 42
190 A 191 LEU L e - 0 0 -75.2 2.4 177.2 -127.9 35.3 64.0 177 -2.6 0 0.0 188 -0.7 0 0.0 10 49
191 A 192 ASP D S S S+ 0 0 54.4 45.4 178.9 123.5 72.6 32.9 0 0.0 0 0.0 0 0.0 0 0.0 10 43
192 A 193 VAL V + 0 0 -116.6 20.1 -178.6 160.9 33.9 85.0 0 0.0 0 0.0 0 0.0 0 0.0 14 49
193 A 194 THR T - 0 0 -49.3 121.5 -179.0 -164.8 19.8 99.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48
194 A 195 ALA A B B A + 175 0 -119.1 130.1 -180.0 167.4 26.1 162.1 175 -2.0 175 -2.5 0 0.0 0 0.0 12 48
195 A 196 THR T S S S- 0 0 -113.5 -9.1 179.2 -1.8 73.7 63.4 0 0.0 0 0.0 0 0.0 0 0.0 11 40
196 A 197 ASN N S h > TS- 0 0 -166.7 176.9 -179.5 -76.4 88.7 164.0 0 0.0 200 -2.0 0 0.0 0 0.0 8 39
197 A 198 ARG R H H > TS+ 0 0 -53.9 -40.5 -179.1 49.0 124.9 32.2 0 0.0 201 -1.4 0 0.0 0 0.0 10 36
198 A 199 GLU E H H > TS+ 0 0 -68.5 -50.6 -179.8 44.2 112.3 19.2 0 0.0 202 -2.3 0 0.0 0 0.0 6 29
199 A 200 THR T H H > TS+ 0 0 -66.6 -26.4 178.3 63.5 106.8 37.6 0 0.0 203 -3.0 0 0.0 0 0.0 11 34
200 A 201 LEU L H H X TS+ 0 0 -59.1 -52.9 -179.4 37.5 110.2 14.0 196 -2.0 204 -1.5 0 0.0 0 0.0 14 44
201 A 202 GLU E H H X TS+ 0 0 -65.7 -42.3 -179.0 47.9 120.1 27.0 197 -1.4 205 -1.6 0 0.0 0 0.0 9 35
202 A 203 GLN Q H H X TS+ 0 0 -66.5 -51.0 -178.9 43.6 113.7 18.3 198 -2.3 206 -2.0 0 0.0 0 0.0 8 29
203 A 204 ARG R H H X TS+ 0 0 -67.1 -28.7 178.7 60.0 108.7 37.7 199 -3.0 207 -2.9 0 0.0 0 0.0 12 38
204 A 205 TYR Y H H X TS+ 0 0 -62.1 -53.6 179.2 41.1 109.6 13.9 200 -1.5 208 -2.0 0 0.0 0 0.0 12 43
205 A 206 ARG R H H X TS+ 0 0 -60.4 -37.8 179.2 56.6 113.5 28.3 201 -1.6 209 -2.4 0 0.0 0 0.0 8 36
206 A 207 HIS H H H X TS+ 0 0 -59.1 -49.2 179.9 49.0 106.1 20.7 202 -2.0 210 -2.4 0 0.0 0 0.0 10 32
207 A 208 GLY G H H X TS+ 0 0 -58.7 -43.9 -180.0 47.7 111.9 25.3 203 -2.9 211 -0.6 0 0.0 0 0.0 12 41
208 A 209 ILE I H H X > TS+ 0 0 -64.9 -38.5 180.0 52.7 111.1 28.2 204 -2.0 212 -1.3 0 0.0 211 -0.7 9 45
209 A 210 SER S H H X 3 TS+ 0 0 -64.7 -42.7 179.5 58.8 100.9 26.4 205 -2.4 213 -1.3 0 0.0 0 0.0 8 27
210 A 211 ASN N H H X 3 TS+ 0 0 -61.4 -17.4 179.2 51.8 106.3 46.0 206 -2.4 214 -1.8 0 0.0 0 0.0 8 29
211 A 212 LEU L H H < < TS+ 0 0 -86.3 -36.3 178.7 63.0 97.3 34.5 208 -0.7 0 0.0 207 -0.6 0 0.0 8 38
212 A 213 LYS K H H < TS+ 0 0 -54.9 -33.2 179.5 40.0 112.8 32.1 208 -1.3 0 0.0 0 0.0 0 0.0 8 26
213 A 214 LEU L H H < T 0 0 -77.8 -65.2 179.7 999.9 999.9 13.1 209 -1.3 0 0.0 0 0.0 0 0.0 5 20
214 A 215 LYS K h < T 0 0 -32.0 999.9 999.9 999.9 999.9 36.7 210 -1.8 0 0.0 0 0.0 0 0.0 4 26
1i6pA.pdb
1I6P LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHHTT TTTTHHHHS SEEEEEETT SS HHHHH TTSEEEEEETT TT HHHHHHHHHHHHTS SEEEEEEETT Kabs/Sand
chirality -+++++++++++++++++-+++++++++-+---+---+--+-++--++++-+--+++--+-+---+---++-+++++++++++++---+----+--++- chirality
bends SSSSSSSSSSSSSSSSSS SSSSSSSSS S SS SS SSSSS SSS SS SS SSSSSSSSSSSSSS S SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTTT TTTT turns
5-turns >>555<< 5-turns
3-turns >33< >3><3<>3><3< >33< >33< >33< >33< >33< 3-turns
bridge-2 bbbbbb ccccccc bridge-2
bridge-1 aaaa bbbbbb aaaa bridge-1
sheets AAAAAA AAAAAA AAAAAAA sheets
4-turns >>>>XXXXXXXXXX4>><4<< >>>4<<< >>>>XXXXXX<<<< > 4-turns
summary hHHHHHHHHHHHHHHHHhTtTTThHHHHh eEEEEEEeTtSShHHHHHh tTTeEEEEEETTt tTThHHHHHHHHHHHHht eEEEEEEEeTh summary
sequence KDIDTLISNNALWSKMLVEEDPGFFEKLAQAQKPRFLWIGCSDSRVPAERLTGLEPGELFVHRNVANLVIHTDLNCLSVVQYAVDVLEVEHIIICGHYGC sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHH STHHHHHHHHHHHHHHTHHHHTTS GGGHHHHHHHHHHHHHHHHHHHSHHHHHHHHTT EEEEEEE TTT EEE S BSSHHHH Kabs/Sand
chirality +++++++-+-+-+++++++++++++++++++++++--++++++++++++++++++++++-++++++++-+-+----+----+--+-----++-+--++++ chirality
bends SSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS S SSSSSS bends
turns TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3><<< >33< >>3<<>>3<< >33< >33< >33< 3-turns
bridge-2 A DDD bridge-2
bridge-1 ccccccc DDD A bridge-1
sheets AAAAAAA AAA sheets
4-turns >>>XX<<<< >>>4>XXX<<44<< >>>>XXXXXXXXXXXXX<<>>XX<<<< >444< >>>>X 4-turns
summary HHHHHHHHh thHHHHHHHHHHHHHHhHHHHhGggGGhHHHHHHHHHHHHHHHHHHHhHHHHHHHHhTt EEEEEEEeTTTteEEEeS BShHHHH summary
sequence GGVQAAVENPELGLINNWLLHIRDIWFKHSSLLGEMPQERRLDTLCELNVMEQVYNLGHSTIMQSAWKRGQKVTIHGWAYGIHDGLLRDLDVTATNRETL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHH Kabs/Sand
chirality ++++++++++++ chirality
bends SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHh summary
sequence EQRYRHGISNLKLK sequence
210