Secondary structure calculation program - copyright by David Keith Smith, 1989
1di6A.pdb
1DI6 UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 183
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 ALA A 0 0 999.9 173.2 175.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
2 A 3 THR T - 0 0 -79.3 129.3 171.5 -136.1 999.9 133.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
3 A 4 LEU L E E Aa - 32 0 -80.9 124.4 178.8 -147.7 13.4 132.7 31 -2.4 33 -2.4 0 0.0 5 -0.7 14 45
4 A 5 A ARG R E E Aa - 33 0 -98.1 114.5 -173.8 -174.0 20.1 149.3 0 0.0 60 -2.2 0 0.0 61 -1.5 12 49
5 A 6 ILE I E E Aab - 34 61 -114.7 128.4 172.7 -151.6 14.9 159.6 33 -3.1 35 -2.1 3 -0.7 0 0.0 13 59
6 A 7 GLY G E E Aab - 35 62 -95.1 136.3 -179.9 -162.9 9.8 143.3 61 -2.7 63 -2.6 0 0.0 0 0.0 13 56
7 A 8 LEU L E E Aab - 36 63 -120.5 120.3 -175.5 -173.2 6.7 173.5 35 -2.6 37 -2.3 0 0.0 0 0.0 14 61
8 A 9 VAL V E E Aab - 37 64 -123.3 117.5 177.0 -165.9 8.7 167.3 63 -2.3 65 -2.4 0 0.0 10 -0.5 13 64
9 A 10 SER S E E Aab - 38 65 -104.1 119.8 -170.0 -156.2 10.9 155.4 37 -2.6 39 -2.6 0 0.0 11 -0.7 14 56
10 A 11 ILE I E E Aa - 39 0 -107.8 109.7 -173.7 -166.6 12.6 159.2 65 -2.6 12 -0.6 8 -0.5 0 0.0 14 54
11 A 12 SER S E E Aa - 40 0 -109.4 128.2 178.3 -162.8 25.6 154.2 39 -3.1 41 -1.4 9 -0.7 0 0.0 11 41
12 A 13 ASP D 0 0 -74.2 -19.4 179.7 999.9 999.9 47.3 10 -0.6 0 0.0 0 0.0 0 0.0 7 33
13!A 14 ARG R 0 0 -74.5 999.9 999.9 999.9 999.9 130.3 0 0.0 0 0.0 0 0.0 0 0.0 4 19
14!A 22 ASP D 0 0 999.9 133.5 177.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
15 A 23 LYS K h > T + 0 0 -107.2 -11.7 -174.7 75.5 999.9 55.6 0 0.0 19 -1.9 0 0.0 0 0.0 7 33
16 A 24 GLY G H H > TS+ 0 0 -70.5 -55.2 176.1 42.6 94.9 21.1 0 0.0 20 -1.9 0 0.0 0 0.0 12 47
17 A 25 ILE I H H > TS+ 0 0 -57.4 -52.3 177.4 50.9 115.7 18.2 0 0.0 21 -2.7 0 0.0 0 0.0 13 41
18 A 26 PRO P H H > TS+ 0 0 -56.0 -39.0 176.1 52.4 107.7 24.2 0 0.0 22 -2.3 0 0.0 0 0.0 8 37
19 A 27 ALA A H H X TS+ 0 0 -64.4 -40.2 176.8 45.4 112.7 25.1 15 -1.9 23 -2.3 0 0.0 0 0.0 11 39
20 A 28 LEU L H H X TS+ 0 0 -68.7 -40.1 -178.5 52.8 110.4 25.8 16 -1.9 24 -2.6 0 0.0 0 0.0 10 52
21 A 29 GLU E H H X TS+ 0 0 -62.6 -43.4 176.1 45.4 113.0 21.1 17 -2.7 25 -1.7 0 0.0 0 0.0 8 42
22 A 30 GLU E H H X TS+ 0 0 -62.9 -48.4 -178.4 46.1 114.6 19.8 18 -2.3 26 -1.8 0 0.0 0 0.0 8 34
23 A 31 TRP W H H X TS+ 0 0 -65.0 -46.0 -178.0 48.4 112.8 22.7 19 -2.3 27 -2.3 0 0.0 0 0.0 9 48
24 A 32 LEU L H H X TS+ 0 0 -63.2 -37.7 177.4 55.2 108.9 30.2 20 -2.6 28 -2.3 0 0.0 0 0.0 8 57
25 A 33 THR T H H < TS+ 0 0 -62.5 -36.8 177.9 42.3 113.0 24.3 21 -1.7 0 0.0 0 0.0 0 0.0 7 35
26 A 34 SER S H H < TS+ 0 0 -77.5 -32.7 -174.8 43.6 119.2 31.7 22 -1.8 0 0.0 0 0.0 0 0.0 8 31
27 A 35 ALA A H H < TS+ 0 0 -85.8 -35.7 -174.3 74.3 97.0 39.3 23 -2.3 169 -2.6 0 0.0 0 0.0 10 42
28 A 36 LEU L B h < A T + 168 0 -88.9 135.7 177.7 177.9 41.6 139.0 24 -2.3 0 0.0 0 0.0 0 0.0 12 43
29 A 37 THR T + 0 0 -106.6 -15.4 170.1 70.6 69.7 48.2 167 -2.5 0 0.0 0 0.0 0 0.0 8 32
30 A 38 THR T S S S- 0 0 -91.3 156.3 -175.4 -85.4 100.5 120.9 167 -1.2 0 0.0 0 0.0 0 0.0 10 35
31 A 39 PRO P e + 0 0 -66.0 146.2 177.0 177.8 48.4 107.4 0 0.0 3 -2.4 0 0.0 0 0.0 8 29
32 A 40 PHE F E E Aa - 3 0 -143.7 161.6 176.3 -150.2 18.1 162.2 0 0.0 0 0.0 0 0.0 0 0.0 9 40
33 A 41 GLU E E E Aa - 4 0 -134.2 140.0 -176.2 -139.3 18.3 166.6 3 -2.4 5 -3.1 0 0.0 0 0.0 8 37
34 A 42 LEU L E E Aa - 5 0 -106.9 141.0 169.5 -169.8 15.2 152.8 0 0.0 36 -0.5 0 0.0 0 0.0 8 39
35 A 43 GLU E E E Aa - 6 0 -120.5 106.2 -173.5 -164.8 25.1 169.3 5 -2.1 7 -2.6 0 0.0 0 0.0 9 40
36 A 44 THR T E E Aa + 7 0 -108.1 138.6 -177.5 179.8 12.6 140.4 34 -0.5 0 0.0 0 0.0 0 0.0 8 44
37 A 45 ARG R E E Aa - 8 0 -137.2 130.4 174.8 -165.4 13.3 168.8 7 -2.3 9 -2.6 0 0.0 39 -0.5 9 45
38 A 46 LEU L E E Aa + 9 0 -114.3 113.1 -173.0 162.7 29.7 168.5 0 0.0 0 0.0 0 0.0 0 0.0 9 41
39 A 47 ILE I E E Aa - 10 0 -134.0 159.7 175.3 -97.3 37.6 157.8 9 -2.6 11 -3.1 37 -0.5 0 0.0 10 41
40 A 48 PRO P E E Aa - 11 0 -69.9 159.1 176.2 -100.0 43.7 111.7 0 0.0 42 -2.2 0 0.0 0 0.0 10 35
41 A 49 ASP D S e S+ 0 0 -81.6 75.0 177.3 126.9 76.7 116.0 11 -1.4 0 0.0 0 0.0 0 0.0 15 41
42 A 50 GLU E h > > T - 0 0 -130.5 122.1 -171.5 -135.8 59.2 179.1 40 -2.2 46 -2.1 0 0.0 45 -0.8 8 35
43 A 51 GLN Q H H > 3 TS+ 0 0 -53.2 -42.8 -178.6 50.6 99.4 33.0 0 0.0 47 -2.6 0 0.0 0 0.0 10 36
44 A 52 ALA A H H > 3 TS+ 0 0 -67.7 -31.4 178.0 49.5 110.8 31.0 0 0.0 48 -2.1 0 0.0 0 0.0 7 29
45 A 53 ILE I H H > < TS+ 0 0 -74.6 -33.6 174.8 50.5 110.5 24.2 42 -0.8 49 -2.4 0 0.0 0 0.0 10 35
46 A 54 ILE I H H X TS+ 0 0 -66.8 -45.8 177.6 48.4 111.7 15.8 42 -2.1 50 -2.4 0 0.0 0 0.0 15 47
47 A 55 GLU E H H X TS+ 0 0 -57.7 -45.7 179.5 48.8 112.1 21.6 43 -2.6 51 -2.4 0 0.0 0 0.0 12 46
48 A 56 GLN Q H H X TS+ 0 0 -60.4 -41.7 -179.6 50.5 110.9 23.2 44 -2.1 52 -2.6 0 0.0 0 0.0 8 40
49 A 57 THR T H H X TS+ 0 0 -62.5 -43.5 178.1 49.5 109.8 24.8 45 -2.4 53 -2.5 0 0.0 0 0.0 9 51
50 A 58 LEU L H H X TS+ 0 0 -65.7 -41.1 176.7 47.2 112.7 20.3 46 -2.4 54 -2.3 0 0.0 0 0.0 11 61
51 A 59 CYS C H H X >TS+ 0 0 -66.3 -38.0 176.9 52.7 111.1 24.2 47 -2.4 55 -2.8 0 0.0 56 -0.7 10 47
52 A 60 GLU E H H X >TS+ 0 0 -57.8 -50.7 -175.3 44.9 112.2 20.0 48 -2.6 57 -2.3 0 0.0 56 -1.2 9 41
53 A 61 LEU L H H < 5TS+ 0 0 -65.3 -41.9 -178.7 35.7 122.0 25.1 49 -2.5 59 -2.2 0 0.0 0 0.0 13 45
54 A 62 VAL V H H < 5TS+ 0 0 -77.0 -47.5 -173.7 30.8 128.3 23.7 50 -2.3 0 0.0 0 0.0 0 0.0 14 48
55 A 63 ASP D H H < 5TS+ 0 0 -83.5 -46.1 -178.1 24.4 131.4 24.6 51 -2.8 0 0.0 0 0.0 0 0.0 8 29
56 A 64 GLU E T h < TS- 0 0 -61.4 156.0 -175.3 -109.8 79.6 95.7 0 0.0 74 -1.4 0 0.0 0 0.0 5 26
72 A 80 ARG R T T 3 TS+ 0 0 -56.4 -39.2 -176.8 49.4 114.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
73 A 81 ARG R T T 3 TS+ 0 0 -77.0 -15.1 -174.2 99.5 82.6 50.2 0 0.0 75 -1.0 0 0.0 0 0.0 8 29
74 A 82 ASP D t < T + 0 0 -79.8 100.7 -175.6 146.5 38.0 127.2 71 -1.4 0 0.0 0 0.0 0 0.0 10 40
75 A 83 VAL V h > T + 0 0 -123.3 17.2 175.0 110.8 27.4 77.3 73 -1.0 79 -2.6 0 0.0 0 0.0 12 47
76 A 84 THR T H H > TS+ 0 0 -60.3 -43.5 175.7 45.9 83.3 19.3 67 -1.9 80 -2.1 0 0.0 0 0.0 15 57
77 A 85 PRO P H H > TS+ 0 0 -65.5 -32.0 179.1 54.1 111.4 27.7 0 0.0 81 -2.6 0 0.0 0 0.0 12 61
78 A 86 ASP D H H > TS+ 0 0 -68.3 -42.3 177.0 45.9 110.3 20.3 0 0.0 82 -2.3 0 0.0 0 0.0 8 46
79 A 87 ALA A H H X TS+ 0 0 -64.4 -37.9 -178.1 51.5 112.5 25.8 75 -2.6 83 -1.2 0 0.0 0 0.0 12 53
80 A 88 THR T H H < TS+ 0 0 -68.8 -42.2 172.8 46.1 111.1 24.8 76 -2.1 0 0.0 0 0.0 0 0.0 14 60
81 A 89 LEU L H H < > TS+ 0 0 -64.6 -35.5 179.4 59.7 107.6 28.1 77 -2.6 84 -1.0 0 0.0 0 0.0 10 45
82 A 90 ALA A H H < 3 TS+ 0 0 -62.4 -35.4 -177.7 39.9 110.8 37.8 78 -2.3 0 0.0 0 0.0 0 0.0 7 36
83 A 91 VAL V T h < 3 TS+ 0 0 -92.4 0.3 -175.7 112.5 95.8 67.0 79 -1.2 0 0.0 0 0.0 0 0.0 10 40
84 A 92 ALA A t < T - 0 0 -79.6 149.2 169.3 -166.3 49.0 121.0 81 -1.0 0 0.0 0 0.0 0 0.0 10 38
85 A 93 ASP D S S S+ 0 0 -89.6 -34.2 -177.1 2.9 84.8 40.4 115 -2.9 0 0.0 0 0.0 0 0.0 8 28
86 A 94 ARG R E E AD - 115 0 -154.2 146.6 176.7 -126.7 69.9 176.1 115 -1.8 115 -2.8 0 0.0 0 0.0 7 28
87 A 95 A GLU E E E AD - 114 0 -94.7 149.8 176.0 -153.1 6.1 133.2 0 0.0 0 0.0 0 0.0 0 0.0 10 33
88 A 96 MET M h > > T - 0 0 -117.4 86.3 -171.4 -173.0 13.7 148.5 113 -2.4 91 -1.3 0 0.0 92 -0.8 10 39
89 A 97 PRO P H H > 3 TS+ 0 0 -59.1 -29.6 -179.7 65.6 75.7 35.7 0 0.0 93 -2.2 0 0.0 0 0.0 8 30
90 A 98 GLY G H H > 3 TS+ 0 0 -62.4 -32.0 178.8 58.5 95.0 37.5 0 0.0 94 -2.4 0 0.0 0 0.0 7 32
91 A 99 PHE F H H > < TS+ 0 0 -68.0 -46.5 175.5 41.3 109.2 12.9 88 -1.3 95 -2.3 0 0.0 0 0.0 11 51
92 A 100 GLY G H H X TS+ 0 0 -59.4 -49.2 -177.0 49.0 117.9 24.3 88 -0.8 96 -2.0 0 0.0 0 0.0 12 48
93 A 101 GLU E H H X TS+ 0 0 -57.6 -46.1 -176.7 41.5 115.5 21.1 89 -2.2 97 -2.3 0 0.0 0 0.0 8 38
94 A 102 GLN Q H H X TS+ 0 0 -78.5 -29.5 172.6 57.6 108.5 32.0 90 -2.4 98 -2.9 0 0.0 0 0.0 9 46
95 A 103 MET M H H X TS+ 0 0 -62.3 -39.7 176.5 46.9 110.9 19.4 91 -2.3 99 -2.4 0 0.0 0 0.0 11 57
96 A 104 ARG R H H X TS+ 0 0 -66.6 -42.0 178.5 48.9 112.1 21.4 92 -2.0 100 -2.2 0 0.0 0 0.0 11 48
97 A 105 GLN Q H H X TS+ 0 0 -64.7 -41.9 176.1 47.9 112.7 25.8 93 -2.3 101 -0.5 0 0.0 0 0.0 9 37
98 A 106 ILE I H H < > TS+ 0 0 -58.5 -50.2 -176.7 47.8 113.5 17.6 94 -2.9 101 -1.6 0 0.0 0 0.0 14 45
99 A 107 SER S H H X > TS+ 0 0 -65.0 -25.6 175.6 66.3 100.3 33.5 95 -2.4 103 -2.0 0 0.0 102 -1.5 13 47
100 A 108 LEU L H H < 3 TS+ 0 0 -67.6 -20.2 175.5 68.7 87.9 46.5 96 -2.2 0 0.0 0 0.0 0 0.0 11 34
101 A 109 HIS H T h < < TS+ 0 0 -68.4 -27.3 179.6 35.5 109.7 37.7 98 -1.6 0 0.0 97 -0.5 0 0.0 8 33
102 A 110 PHE F T g 4 < TS- 0 0 -88.5 -58.6 -175.6 -2.3 133.4 24.8 99 -1.5 0 0.0 0 0.0 0 0.0 6 34
103 A 111 VAL V g < > T - 0 0 -139.2 149.3 -177.5 -131.7 55.8 165.4 99 -2.0 106 -1.4 0 0.0 0 0.0 7 23
104 A 112 PRO P G G > TS+ 0 0 -71.7 -23.3 -179.4 74.0 99.3 40.6 0 0.0 107 -1.4 0 0.0 0 0.0 8 17
105 A 113 THR T G G > T + 0 0 -72.3 -2.7 170.9 94.5 67.0 57.9 0 0.0 108 -2.3 0 0.0 0 0.0 7 25
106 A 114 ALA A G G X TS+ 0 0 -56.8 -24.9 178.7 71.2 71.2 38.5 103 -1.4 109 -1.6 0 0.0 0 0.0 10 38
107 A 115 ILE I G G < TS+ 0 0 -71.3 -8.0 176.9 70.1 82.8 55.8 104 -1.4 0 0.0 0 0.0 0 0.0 8 29
108 A 116 LEU L G G < TS+ 0 0 -80.9 -10.3 177.4 100.3 78.8 60.9 105 -2.3 0 0.0 0 0.0 0 0.0 7 37
109 A 117 A SER S g < T - 0 0 -77.2 141.8 -179.6 -164.3 55.2 127.7 106 -1.6 0 0.0 0 0.0 0 0.0 10 47
110 A 118 ARG R + 0 0 -109.1 18.2 -179.9 153.7 34.8 78.8 68 -3.3 0 0.0 0 0.0 0 0.0 10 47
111 A 119 A GLN Q - 0 0 -51.2 143.4 174.3 -171.5 20.4 92.5 0 0.0 0 0.0 0 0.0 0 0.0 13 58
112 A 120 VAL V e - 0 0 -130.3 165.5 167.6 -143.1 22.0 150.5 0 0.0 123 -2.3 0 0.0 0 0.0 14 57
113 A 121 GLY G E E A E + 0 122 -123.1 133.3 180.0 165.2 33.7 171.1 0 0.0 88 -2.4 0 0.0 0 0.0 14 53
114 A 122 VAL V E E ADE - 87 121 -139.1 171.1 170.1 -123.7 32.5 161.6 121 -2.5 121 -2.8 0 0.0 0 0.0 14 50
115 A 123 ILE I E E ADE - 86 120 -120.6 131.5 169.5 -175.9 18.4 161.7 86 -2.8 85 -2.9 0 0.0 86 -1.8 13 50
116 A 124 ARG R E E A E> TS- 0 119 -121.9 120.5 -175.0 -38.5 73.0 171.3 119 -2.1 119 -2.7 0 0.0 0 0.0 12 47
117 A 125 LYS K T T 3 TS- 0 0 59.2 -117.7 175.0 -32.5 125.9 122.2 0 0.0 0 0.0 0 0.0 0 0.0 6 37
118 A 126 GLN Q T T 3 TS+ 0 0 -111.1 13.6 -178.4 105.7 117.1 77.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
119 A 127 ALA A E E A E< T - 0 116 -99.4 142.1 174.1 -138.4 62.5 135.9 116 -2.7 116 -2.1 0 0.0 0 0.0 13 54
120 A 128 LEU L E E AcE - 61 115 -94.4 129.2 179.3 -164.9 16.3 148.1 60 -1.8 62 -2.5 0 0.0 0 0.0 12 61
121 A 129 ILE I E E AcE - 62 114 -116.6 121.0 180.0 -174.4 6.9 169.2 114 -2.8 114 -2.5 0 0.0 0 0.0 13 71
122 A 130 LEU L E E AcE - 63 113 -118.2 132.1 175.5 -141.8 17.4 167.2 62 -2.5 64 -2.4 0 0.0 124 -0.6 12 77
123 A 131 ASN N E E Ac - 64 0 -91.9 121.0 177.8 -176.3 24.9 145.2 112 -2.3 0 0.0 0 0.0 0 0.0 14 75
124 A 132 LEU L E E Ac - 65 0 -111.9 163.8 177.7 -87.9 30.4 133.4 64 -2.7 66 -1.6 122 -0.6 0 0.0 12 71
125 A 133 PRO P - 0 0 -60.6 167.5 179.9 -120.7 30.3 98.1 0 0.0 0 0.0 0 0.0 0 0.0 11 67
126 A 134 GLY G S S S+ 0 0 -86.9 -23.3 -178.6 84.5 86.0 44.8 0 0.0 0 0.0 0 0.0 0 0.0 11 54
127 A 135 GLN Q S h > TS- 0 0 -88.0 134.6 -179.4 -133.5 76.5 129.7 0 0.0 131 -2.1 0 0.0 0 0.0 10 41
128 A 136 PRO P H H > TS+ 0 0 -50.6 -43.5 -178.2 51.3 104.6 26.6 0 0.0 132 -1.9 0 0.0 0 0.0 10 37
129 A 137 LYS K H H > TS+ 0 0 -64.5 -38.7 -179.7 49.1 110.8 24.6 0 0.0 133 -2.3 0 0.0 0 0.0 6 36
130 A 138 SER S H H > TS+ 0 0 -68.1 -35.2 176.8 58.0 105.3 34.3 0 0.0 134 -2.1 0 0.0 0 0.0 10 52
131 A 139 ILE I H H X TS+ 0 0 -60.0 -49.6 178.8 41.6 111.6 13.7 127 -2.1 135 -1.9 0 0.0 0 0.0 14 58
132 A 140 A LYS K H H X TS+ 0 0 -67.4 -38.2 179.0 53.6 112.4 21.1 128 -1.9 136 -2.4 0 0.0 0 0.0 11 49
133 A 141 GLU E H H X TS+ 0 0 -63.4 -39.7 179.7 48.7 110.3 25.9 129 -2.3 137 -2.1 0 0.0 0 0.0 12 48
134 A 142 THR T H H < TS+ 0 0 -66.7 -45.1 -176.2 42.7 115.0 20.4 130 -2.1 150 -2.6 0 0.0 0 0.0 13 60
135 A 143 LEU L H H < TS+ 0 0 -70.6 -38.9 -174.2 29.8 126.4 27.4 131 -1.9 151 -1.6 0 0.0 0 0.0 10 70
136 A 144 GLU E H H < TS- 0 0 -100.7 -23.2 176.3 -155.7 94.4 48.2 132 -2.4 149 -0.8 0 0.0 0 0.0 13 54
137 A 145 GLY G E E T - 0 0 -96.0 -172.1 -179.7 -82.6 43.2 114.2 144 -2.0 143 -1.4 0 0.0 0 0.0 8 19
141 A 149 ALA A T T 3 TS+ 0 0 -62.0 -32.8 179.4 47.9 130.5 35.2 0 0.0 0 0.0 0 0.0 0 0.0 5 11
142 A 150 GLU E T T 3 TS- 0 0 -87.6 -4.8 177.3 -104.7 123.0 61.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
143 A 151 GLY G S t < TS+ 0 0 97.1 5.1 -179.3 145.7 70.5 59.6 140 -1.4 0 0.0 0 0.0 0 0.0 6 20
144 A 152 ASN N e - 0 0 -75.4 142.5 178.6 -102.2 55.4 119.6 0 0.0 140 -2.0 0 0.0 0 0.0 7 19
145 A 153 VAL V E E BF + 139 0 -68.5 131.2 172.9 169.7 39.7 120.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
146 A 154 VAL V E E B* S+ 0 0 -99.7 -51.5 177.2 6.8 81.7 41.8 138 -3.3 0 0.0 0 0.0 0 0.0 8 28
147 A 155 VAL V E E BF S- 138 0 -136.7 123.8 -178.9 -120.3 88.1 171.4 138 -2.0 138 -2.3 0 0.0 0 0.0 8 35
148 A 156 HIS H E E BF - 137 0 -65.3 140.8 172.4 -114.3 27.6 109.3 0 0.0 0 0.0 0 0.0 0 0.0 9 43
149 A 157 GLY G e > T - 0 0 -64.8 163.4 -178.9 -109.7 27.0 111.1 136 -0.8 152 -1.7 0 0.0 0 0.0 13 54
150 A 158 ILE I G G > TS+ 0 0 -69.4 -24.3 -179.5 65.8 115.7 32.9 134 -2.6 153 -1.4 0 0.0 0 0.0 13 62
151 A 159 PHE F G G > TS+ 0 0 -72.9 -15.5 179.6 79.7 80.0 41.6 135 -1.6 154 -1.1 0 0.0 0 0.0 10 61
152 A 160 ALA A G G < TS+ 0 0 -61.5 -23.3 -178.9 38.8 101.1 40.2 149 -1.7 176 -1.8 0 0.0 0 0.0 13 48
153 A 161 SER S G h > < TS+ 0 0 -102.6 -4.8 -176.8 84.6 96.1 62.1 150 -1.4 157 -1.9 0 0.0 0 0.0 10 51
154 A 162 VAL V H H > < TS+ 0 0 -70.2 -42.5 177.1 52.9 84.6 21.7 151 -1.1 158 -2.7 0 0.0 0 0.0 9 63
155 A 163 PRO P H H > TS+ 0 0 -57.1 -48.9 176.7 44.0 113.7 19.3 0 0.0 159 -2.2 0 0.0 0 0.0 13 57
156 A 164 TYR Y H H > TS+ 0 0 -63.6 -37.1 178.4 54.1 111.5 23.3 0 0.0 160 -2.6 0 0.0 0 0.0 12 39
157 A 165 CYS C H H X TS+ 0 0 -61.4 -42.5 179.1 48.8 108.6 20.3 153 -1.9 161 -1.3 0 0.0 0 0.0 8 47
158 A 166 ILE I H H < >TS+ 0 0 -63.3 -41.2 176.0 52.1 110.5 24.3 154 -2.7 163 -2.4 0 0.0 0 0.0 16 52
159 A 167 GLN Q H H < >5TS+ 0 0 -59.8 -41.4 178.8 50.4 107.7 19.6 155 -2.2 162 -1.8 0 0.0 0 0.0 11 39
160 A 168 LEU L H H < 35TS+ 0 0 -68.6 -24.6 178.9 57.3 106.3 39.4 156 -2.6 0 0.0 0 0.0 0 0.0 7 31
161 A 169 LEU L T h < 35TS- 0 0 -87.9 10.9 177.6 -106.9 123.2 80.6 157 -1.3 0 0.0 0 0.0 0 0.0 8 35
162 A 170 GLU E T T <5TS+ 0 0 67.7 33.4 178.4 132.9 77.4 39.6 159 -1.8 0 0.0 0 0.0 0 0.0 7 27
163 A 171 GLY G t > T - 0 0 -79.5 115.1 179.3 -145.4 28.3 134.8 27 -2.6 172 -2.5 0 0.0 173 -2.2 11 31
170 A 178 PRO P T T 4 3 TS+ 0 0 -53.3 -29.6 176.2 65.8 96.3 37.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
171 A 179 GLU E T T 4 3 TS+ 0 0 -65.4 -19.6 179.4 28.6 115.9 39.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
172 A 180 VAL V T T 4 < TS- 0 0 -105.6 -55.9 173.7 -19.0 141.6 30.9 169 -2.5 0 0.0 0 0.0 0 0.0 9 43
173 A 181 VAL V t < T - 0 0 -155.7 133.1 179.5 -132.4 60.2 159.9 169 -2.2 0 0.0 0 0.0 0 0.0 12 43
174 A 182 ALA A - 0 0 -88.2 136.6 -175.9 -131.9 21.9 132.4 0 0.0 176 -0.9 0 0.0 0 0.0 9 40
175 A 183 ALA A - 0 0 -90.2 103.4 -176.0 -144.7 22.7 136.4 0 0.0 0 0.0 0 0.0 0 0.0 13 42
176 A 184 A PHE F + 0 0 -76.2 132.8 174.5 158.9 29.2 122.2 152 -1.8 0 0.0 174 -0.9 0 0.0 8 38
177 A 185 ARG R - 0 0 -148.3 146.9 178.7 -118.9 35.6 169.3 0 0.0 0 0.0 0 0.0 0 0.0 9 28
178 A 186 PRO P g > > T - 0 0 -77.9 166.6 179.1 -97.8 40.3 104.8 0 0.0 181 -2.0 0 0.0 182 -1.0 6 20
179 A 187 LYS K G G 4 > TS+ 0 0 -51.2 -41.7 177.1 61.6 122.3 26.2 0 0.0 182 -1.0 0 0.0 0 0.0 5 11
180 A 188 SER S G G 4 3 TS+ 0 0 -58.5 -26.5 -178.0 39.7 110.1 46.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13
181 A 189 ALA A G G 4 < TS+ 0 0 -105.6 -8.1 -178.3 106.8 88.2 58.5 178 -2.0 0 0.0 0 0.0 0 0.0 7 23
182 A 190 ARG R g < < T 0 0 -77.8 132.1 177.4 999.9 999.9 125.3 178 -1.0 0 0.0 179 -1.0 0 0.0 6 21
183 A 191 ARG R 0 0 -93.7 999.9 999.9 999.9 999.9 122.7 0 0.0 0 0.0 0 0.0 0 0.0 2 19
1di6A.pdb
1DI6 UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEE HHHHHHHHHHHHB S EEEEEEEEES HHHHHHHHHHHHHTS SEEEEES SSSTT HHHHHHHT SEE HHHHHHHHHHHH Kabs/Sand
chirality ---------- +++++++++++++++-+----+-+--+-++++++++++++++---+----++++-+-++++++++++++-+---++++++++++++ chirality
bends SSSSSSSSSSSS S S SSSSSSSSSSSSSSS S S SSSSS SSSSSSSS S SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< >33< >33< >33< >>3 3-turns
bridge-2 bbbbb ccccc bridge-2
bridge-1 aaaaaaaaa A aaaaaaaaa bbbbb DD bridge-1
sheets AAAAAAAAA AAAAAAAAA AAAAA AA sheets
4-turns >>>>XXXXXX<<<< >>>>XXXXXXX<<<< >>>>X<<<< >>>>XXXXXX5555< 5-turns
3-turns <<>>>X<<< >33< >33< >>><<< >33< >33< >>3<< 3-turns
bridge-2 EEEE EEEE bridge-2
bridge-1 DD ccccc FFF F*FF A bridge-1
sheets AAAA AAAAAA BBB BBBB sheets
4-turns <4< >>>>XXX<<<< >>>>X<<<< >444< >444< 4-turns
summary hggGGGGGg eEEEETTEEEEEE ShHHHHHHHHHEEEeTTteEEEEeGGGhHHHHHHHhTt BtTTTt gGGGg summary
sequence HFVPTAILSRQVGVIRKQALILNLPGQPKSIKETLEGVKDAEGNVVVHGIFASVPYCIQLLEGPYVETAPEVVAAFRPKSARR sequence
110 120 130 140 150 160 170 180
Messages
chain break between 13(A 14 ) and 14(A 22 )