Secondary structure calculation program - copyright by David Keith Smith, 1989
1ddlA.pdb
1DDL VIRUS/VIRAL PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 188
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 -17.7 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 4
2 A 2 GLU E - 0 0 -96.8 130.1 -179.0 -129.8 999.9 144.8 0 0.0 0 0.0 0 0.0 0 0.0 3 6
3 A 3 GLN Q - 0 0 -80.4 148.8 -178.9 -135.5 6.6 119.3 0 0.0 5 -0.7 0 0.0 0 0.0 4 6
4 A 4 ASP D S S S+ 0 0 -99.6 57.8 -177.9 76.9 73.6 111.6 0 0.0 0 0.0 0 0.0 0 0.0 4 7
5 A 5 LYS K - 0 0 -163.4 150.4 179.0 -140.8 61.9 172.0 3 -0.7 0 0.0 0 0.0 0 0.0 4 8
6 A 6 ILE I - 0 0 -119.4 135.8 178.5 -147.0 14.9 163.7 0 0.0 0 0.0 0 0.0 0 0.0 4 8
7 A 7 LEU L - 0 0 -101.6 128.4 177.4 -168.8 11.2 149.3 0 0.0 0 0.0 0 0.0 0 0.0 4 9
8 A 8 ALA A - 0 0 -113.6 137.4 -178.7 -144.8 13.0 161.1 0 0.0 10 -0.5 0 0.0 0 0.0 4 8
9 A 9 A HIS H - 0 0 -110.6 126.0 177.1 -145.2 2.6 156.3 0 0.0 11 -0.6 0 0.0 0 0.0 4 8
10 A 10 GLN Q - 0 0 -85.6 119.3 -179.1 -109.7 35.6 143.8 8 -0.5 0 0.0 0 0.0 0 0.0 4 8
11 A 11 ALA A - 0 0 -48.6 131.3 180.0 -158.2 43.1 102.8 9 -0.6 0 0.0 0 0.0 0 0.0 4 8
12 A 12 SER S - 0 0 -114.8 171.8 177.8 -173.3 15.2 129.6 0 0.0 0 0.0 0 0.0 0 0.0 4 8
13 A 13 LEU L - 0 0 -151.2 170.7 179.9 -80.7 41.8 158.7 0 0.0 15 -1.0 0 0.0 0 0.0 4 8
14 A 14 ASN N + 0 0 -85.5 101.8 -179.7 133.7 68.2 137.0 0 0.0 0 0.0 0 0.0 0 0.0 4 8
15 A 15 THR T - 0 0 -148.4 118.3 -176.7 -176.3 29.2 160.9 13 -1.0 0 0.0 0 0.0 0 0.0 4 8
16 A 16 LYS K - 0 0 -121.6 161.4 176.2 -108.3 27.1 141.3 0 0.0 0 0.0 0 0.0 0 0.0 4 9
17 A 17 PRO P - 0 0 -76.2 169.1 -178.8 -174.5 42.0 112.2 0 0.0 0 0.0 0 0.0 0 0.0 4 8
18 A 18 SER S + 0 0 -166.6 157.2 179.1 170.6 22.5 172.5 0 0.0 0 0.0 0 0.0 0 0.0 4 9
19 A 19 LEU L - 0 0 -133.0 -129.8 -179.3 -8.1 58.7 97.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
20 A 20 LEU L - 0 0 -83.0 145.6 179.0 -118.7 65.0 121.4 0 0.0 0 0.0 0 0.0 0 0.0 4 11
21 A 21 PRO P - 0 0 -70.4 176.3 -179.8 -65.2 54.8 94.0 0 0.0 0 0.0 0 0.0 0 0.0 4 10
22 A 22 PRO P - 0 0 -67.1 145.3 179.8 -97.4 62.3 112.2 0 0.0 0 0.0 0 0.0 0 0.0 4 10
23 A 23 PRO P - 0 0 -65.1 121.3 179.8 -154.7 42.4 118.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
24 A 24 VAL V - 0 0 -99.9 146.1 179.3 -10.1 45.2 138.8 0 0.0 0 0.0 0 0.0 0 0.0 4 9
25 A 25 GLY G S S S- 0 0 71.4 -165.4 -179.8 -15.9 103.2 97.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
26 A 26 ASN N - 0 0 -74.9 131.7 178.6 -119.1 68.0 124.2 0 0.0 0 0.0 0 0.0 0 0.0 4 10
27 A 27 PRO P - 0 0 -72.3 144.4 -179.5 -106.7 36.5 119.1 0 0.0 0 0.0 0 0.0 0 0.0 4 15
28 A 28 PRO P - 0 0 -71.6 154.4 -178.7 -95.1 38.1 109.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
29 A 29 PRO P - 0 0 -68.6 151.2 -179.0 -142.3 35.8 106.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
30 A 30 VAL V - 0 0 -118.2 145.5 178.1 -171.9 14.4 155.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
31 A 31 ILE I E E AA - 179 0 -132.0 147.4 179.1 -137.8 16.3 164.2 179 -2.0 179 -3.0 0 0.0 0 0.0 7 27
32 A 32 SER S E E AA - 178 0 -108.4 130.9 -179.4 -165.6 16.9 158.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
33 A 33 TYR Y E E AA - 177 0 -118.3 128.7 -179.5 -139.5 11.5 159.6 177 -2.6 177 -2.4 0 0.0 0 0.0 8 32
34 A 34 PRO P E E AA + 176 0 -85.5 149.3 179.7 170.9 27.4 127.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
35 A 35 PHE F E E AA - 175 0 -153.3 157.7 176.0 -164.5 25.2 170.5 175 -2.5 175 -2.3 0 0.0 0 0.0 8 34
36 A 36 GLN Q E E AA - 174 0 -143.4 125.8 -177.5 -172.1 17.0 166.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
37 A 37 ILE I E E AA - 173 0 -127.5 133.0 179.1 -131.9 21.5 169.6 173 -2.9 173 -2.2 0 0.0 39 -0.5 9 37
38 A 38 THR T E E AA + 172 0 -82.1 124.9 -179.0 175.5 25.2 134.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
39 A 39 LEU L E E A* - 0 0 -100.2 -30.2 -177.1 -8.6 57.0 38.1 171 -2.8 0 0.0 37 -0.5 0 0.0 8 44
40 A 40 ALA A E E AA - 171 0 -168.2 153.8 177.3 -133.6 45.1 172.0 171 -1.7 171 -2.9 0 0.0 42 -0.5 7 46
41 A 41 SER S E E AA - 170 0 -109.6 120.9 -178.1 -169.5 40.3 166.6 0 0.0 0 0.0 0 0.0 0 0.0 9 43
42 A 42 LEU L E E AA + 169 0 -114.2 170.5 178.1 57.5 45.6 131.6 169 -2.9 168 -2.1 40 -0.5 169 -1.4 12 49
43 A 43 GLY G S S S+ 0 0 103.6 -16.9 -179.5 85.8 78.8 82.0 45 -0.5 0 0.0 0 0.0 0 0.0 17 46
44 A 44 THR T S S S- 0 0 -91.0 -9.5 179.6 -2.3 105.4 54.2 0 0.0 0 0.0 0 0.0 0 0.0 12 38
45 A 45 GLU E S S S- 0 0 -172.2 151.9 178.9 -76.5 90.5 160.9 0 0.0 43 -0.5 0 0.0 0 0.0 9 32
46 A 46 ASP D - 0 0 -55.2 140.7 179.8 -177.4 56.1 105.3 0 0.0 0 0.0 0 0.0 0 0.0 9 36
47 A 47 ALA A E E BB + 157 0 -143.5 155.0 179.7 169.6 18.5 169.5 157 -2.1 157 -3.0 0 0.0 0 0.0 8 37
48 A 48 ALA A E E BB + 156 0 -165.8 125.7 179.1 144.7 15.3 150.3 0 0.0 0 0.0 0 0.0 0 0.0 9 37
49 A 49 ASP D E E BB - 155 0 -154.6 175.5 178.9 -127.8 37.4 158.5 155 -1.7 155 -2.2 0 0.0 0 0.0 8 36
50 A 50 SER S E E BB - 154 0 -133.3 128.7 -178.7 -155.4 20.8 175.5 0 0.0 52 -0.5 0 0.0 0 0.0 10 41
51 A 51 VAL V E E BB - 153 0 -112.5 119.9 178.6 -152.1 5.2 159.7 153 -2.9 153 -2.7 0 0.0 53 -0.8 8 49
52 A 52 SER S E E BB > T - 152 0 -89.8 110.5 -177.9 -159.0 7.0 144.6 50 -0.5 55 -1.3 0 0.0 0 0.0 11 51
53 A 53 ILE I G e > TS+ 0 0 -57.8 -40.0 -178.9 58.6 87.4 28.4 151 -1.9 56 -1.3 51 -0.8 0 0.0 11 63
54 A 54 ALA A G T 3 TS+ 0 0 -66.7 -15.9 -178.8 40.4 111.7 46.5 151 -0.6 0 0.0 0 0.0 0 0.0 9 56
55 A 55 SER S G T < TS+ 0 0 -117.3 16.2 -180.0 134.0 80.7 73.6 52 -1.3 0 0.0 0 0.0 0 0.0 6 38
56 A 56 ASN N h > < T - 0 0 -70.1 123.3 -178.7 -141.9 51.9 118.0 53 -1.3 60 -1.9 0 0.0 0 0.0 9 38
57 A 57 A SER S H H > TS+ 0 0 -51.9 -48.1 -178.1 45.1 95.8 28.3 0 0.0 61 -0.6 0 0.0 0 0.0 6 23
58 A 58 VAL V H H 4 > TS+ 0 0 -68.9 -46.6 179.1 48.3 111.9 22.9 0 0.0 61 -1.2 0 0.0 0 0.0 7 29
59 A 59 LEU L H H > > TS+ 0 0 -62.4 -28.9 -179.4 65.9 103.8 31.8 0 0.0 62 -1.6 0 0.0 63 -1.5 9 46
60 A 60 ALA A H H X 3 TS+ 0 0 -65.4 -24.2 179.4 69.8 85.2 39.7 56 -1.9 64 -2.2 0 0.0 0 0.0 10 40
61 A 61 THR T H H < < TS+ 0 0 -65.9 -20.8 178.4 42.7 104.9 37.7 58 -1.2 0 0.0 57 -0.6 0 0.0 8 31
62 A 62 TYR Y H H 4 X TS+ 0 0 -87.2 -42.1 -178.8 43.4 117.5 28.4 59 -1.6 65 -0.6 0 0.0 0 0.0 7 40
63 A 63 THR T H H < > TS+ 0 0 -77.9 -16.1 -179.3 85.7 91.2 48.7 59 -1.5 66 -2.0 0 0.0 0 0.0 12 43
64 A 64 ALA A T h < 3 TS+ 0 0 -54.2 -35.5 -178.0 53.9 87.4 32.0 60 -2.2 0 0.0 0 0.0 0 0.0 8 34
65 A 65 LEU L T e < TS+ 0 0 -78.6 -7.6 -178.1 56.3 108.0 55.9 62 -0.6 183 -3.1 0 0.0 0 0.0 10 32
66 A 66 TYR Y E E AC < T - 182 0 -127.5 169.9 -179.2 -144.7 62.7 145.1 63 -2.0 0 0.0 0 0.0 0 0.0 11 36
67 A 67 ARG R E E A* S+ 0 0 -97.6 -29.8 180.0 45.5 89.6 41.8 181 -2.5 0 0.0 180 -0.9 0 0.0 14 35
68 A 68 HIS H E E AC + 180 0 -121.7 127.2 178.7 172.0 60.5 165.2 180 -2.0 180 -1.6 0 0.0 0 0.0 13 41
69 A 69 ALA A E E ACD + 179 142 -134.8 128.9 -178.9 176.1 3.0 173.6 142 -2.2 142 -1.4 0 0.0 141 -1.0 14 49
70 A 70 GLN Q E E ACD - 178 140 -135.7 129.1 179.4 -125.1 28.2 174.5 178 -2.3 178 -3.7 0 0.0 0 0.0 11 51
71 A 71 LEU L E E AC - 177 0 -74.0 133.4 179.8 -178.5 21.4 122.9 139 -3.1 0 0.0 0 0.0 0 0.0 12 53
72 A 72 LYS K E E A* S- 0 0 -96.3 -37.8 -179.9 -0.2 75.4 36.8 176 -3.0 0 0.0 0 0.0 0 0.0 10 39
73 A 73 A HIS H E E AC + 176 0 -149.5 144.3 179.4 177.9 69.0 167.0 176 -1.0 176 -1.8 0 0.0 0 0.0 9 40
74 A 74 LEU L E E AC + 175 0 -155.9 133.2 179.4 160.5 5.9 161.7 0 0.0 132 -2.8 0 0.0 0 0.0 11 53
75 A 75 LYS K E E ACE - 174 131 -148.6 162.7 177.1 -130.9 29.4 164.4 174 -2.4 174 -2.2 0 0.0 0 0.0 11 51
76 A 76 ALA A E E ACE - 173 130 -112.8 149.0 -179.4 -164.5 24.8 154.6 130 -1.9 130 -2.6 0 0.0 0 0.0 12 55
77 A 77 THR T E E ACE - 172 129 -137.0 143.7 178.0 -150.7 14.2 172.0 172 -2.5 172 -2.3 0 0.0 79 -0.6 12 50
78 A 78 ILE I E E ACE - 171 128 -113.8 117.2 -179.8 -164.9 14.3 164.9 128 -2.2 128 -1.2 0 0.0 0 0.0 11 54
79 A 79 HIS H E E AC - 170 0 -105.0 119.7 -180.0 -142.9 12.3 155.4 170 -2.9 170 -2.4 77 -0.6 0 0.0 10 47
80 A 80 PRO P E E AC - 169 0 -78.9 152.1 179.2 -152.0 13.2 119.0 0 0.0 0 0.0 0 0.0 0 0.0 14 45
81 A 81 THR T e > T - 0 0 -115.4 176.9 -179.3 -91.0 35.9 127.8 168 -2.1 84 -1.5 0 0.0 0 0.0 10 40
82 A 82 TYR Y T T 3 TS+ 0 0 -66.0 -6.3 179.9 59.7 122.8 54.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
83 A 83 MET M T T > > TS+ 0 0 -95.4 -14.7 -177.6 83.5 82.0 47.3 0 0.0 87 -1.7 0 0.0 86 -0.7 11 36
84 A 84 ALA A T T 4 < TS+ 0 0 -57.6 -45.3 -179.4 57.2 83.4 27.4 81 -1.5 120 -1.0 0 0.0 0 0.0 16 44
85 A 85 PRO P T T 4 3 TS+ 0 0 -58.7 -33.1 179.9 40.3 112.1 33.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
86 A 86 LYS K T T 4 < TS+ 0 0 -84.9 -23.5 -178.7 37.0 126.2 37.3 83 -0.7 0 0.0 0 0.0 0 0.0 8 31
87 A 87 TYR Y S t < TS- 0 0 -129.5 71.4 -179.9 -155.8 80.8 124.9 83 -1.7 0 0.0 0 0.0 0 0.0 14 40
88 A 88 PRO P - 0 0 -46.1 132.7 -178.2 -158.8 14.7 98.1 0 0.0 0 0.0 0 0.0 0 0.0 14 43
89 A 89 THR T E E BF - 118 0 -125.0 135.1 177.0 -135.2 13.5 160.1 118 -2.5 118 -3.4 0 0.0 0 0.0 15 53
90 A 90 SER S E E BFG + 117 158 -84.3 134.0 177.2 178.5 27.0 136.1 158 -2.1 158 -1.5 0 0.0 0 0.0 12 54
91 A 91 VAL V E E BFG + 116 157 -137.7 125.9 -179.3 179.4 3.1 169.9 116 -2.3 116 -3.3 0 0.0 0 0.0 12 60
92 A 92 ALA A E E BFG + 115 156 -127.5 137.4 178.9 169.5 7.2 170.0 156 -3.1 156 -2.2 0 0.0 0 0.0 12 55
93 A 93 LEU L E E BFG + 114 155 -148.8 159.7 -179.2 175.6 12.1 169.6 114 -2.1 114 -2.3 0 0.0 0 0.0 13 59
94 A 94 VAL V E E B G - 0 154 -159.0 147.1 179.1 -131.8 24.1 165.2 154 -1.7 154 -3.1 0 0.0 0 0.0 13 57
95 A 95 TRP W E E B G + 0 153 -103.7 129.2 179.1 165.0 33.7 155.7 0 0.0 0 0.0 0 0.0 0 0.0 11 59
96 A 96 VAL V E E B G - 0 152 -141.7 159.7 177.6 -88.3 44.2 161.2 152 -2.9 152 -2.0 0 0.0 0 0.0 11 50
97 A 97 PRO P E E B G> T - 0 151 -62.3 152.2 -178.7 -111.9 45.7 112.5 0 0.0 100 -1.9 0 0.0 0 0.0 13 44
98 A 98 ALA A T e 3 TS+ 0 0 -59.9 -27.1 179.9 58.1 116.2 41.5 150 -1.9 0 0.0 0 0.0 0 0.0 10 40
99 A 99 ASN N T T 3 TS+ 0 0 -89.8 15.8 178.1 114.8 79.1 76.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
100 A 100 SER S t < T - 0 0 -80.8 146.3 179.9 -146.2 60.8 126.0 97 -1.9 0 0.0 0 0.0 0 0.0 7 33
101 A 101 THR T + 0 0 -96.7 13.4 179.3 123.6 57.5 72.5 0 0.0 0 0.0 0 0.0 0 0.0 4 27
102 A 102 ALA A - 0 0 -72.9 149.6 -179.2 -149.0 47.9 115.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
103 A 103 THR T g > T - 0 0 -117.8 164.5 -179.2 -97.1 30.0 138.2 0 0.0 106 -2.8 0 0.0 0 0.0 8 34
104 A 104 SER S G G > TS+ 0 0 -51.9 -24.8 -178.5 57.4 121.2 42.6 0 0.0 107 -0.7 0 0.0 0 0.0 12 38
105 A 105 THR T G G 3 TS+ 0 0 -90.2 4.5 -178.7 58.8 100.2 61.4 0 0.0 0 0.0 0 0.0 0 0.0 5 32
106 A 106 GLN Q G G X T + 0 0 -117.8 26.1 179.9 121.1 63.5 90.3 103 -2.8 109 -1.3 0 0.0 0 0.0 8 31
107 A 107 VAL V G G X TS+ 0 0 -56.2 -50.0 -178.3 49.4 76.1 19.1 104 -0.7 110 -1.9 0 0.0 0 0.0 17 37
108 A 108 LEU L G G 3 TS+ 0 0 -70.1 -4.6 179.1 57.6 106.4 56.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
109 A 109 ASP D G G < TS+ 0 0 -104.6 9.5 -179.0 81.0 96.1 73.3 106 -1.3 0 0.0 0 0.0 0 0.0 6 23
110 A 110 THR T S g X TS- 0 0 -119.7 135.5 -178.2 -98.9 93.2 160.5 107 -1.9 113 -2.4 0 0.0 0 0.0 9 32
111 A 111 TYR Y T T 3 TS+ 0 0 -54.5 130.8 179.8 11.5 107.9 102.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
112 A 112 GLY G T T 3 TS+ 0 0 83.2 -6.2 178.7 142.6 89.5 70.0 0 0.0 0 0.0 0 0.0 0 0.0 6 36
113 A 113 GLY G t < T - 0 0 -66.6 141.2 -179.8 -165.3 30.8 115.5 110 -2.4 0 0.0 0 0.0 0 0.0 12 41
114 A 114 LEU L E E BF - 93 0 -132.4 145.3 179.3 -155.7 14.3 166.8 93 -2.3 93 -2.1 0 0.0 0 0.0 9 38
115 A 115 HIS H E E BF - 92 0 -123.1 121.1 -178.1 -174.2 21.0 168.9 0 0.0 0 0.0 0 0.0 0 0.0 10 40
116 A 116 PHE F E E BF - 91 0 -115.9 162.9 175.9 -137.5 26.7 141.8 91 -3.3 91 -2.3 0 0.0 118 -0.6 7 46
117 A 117 CYS C E E BF - 90 0 -114.8 105.7 -179.0 -153.1 25.9 161.7 0 0.0 119 -0.6 0 0.0 0 0.0 10 45
118 A 118 ILE I E E BF - 89 0 -89.0 124.2 -179.9 -29.4 56.8 139.4 89 -3.4 89 -2.5 116 -0.6 0 0.0 16 50
119 A 119 GLY G + 0 0 75.1 -146.5 180.0 140.6 65.4 118.8 123 -0.7 0 0.0 117 -0.6 0 0.0 15 42
120 A 120 GLY G S S S- 0 0 99.2 -27.8 179.9 -37.6 106.5 94.9 84 -1.0 0 0.0 0 0.0 0 0.0 12 32
121 A 121 SER S S S S+ 0 0 175.4 -63.0 -179.6 31.2 135.7 109.1 0 0.0 0 0.0 0 0.0 0 0.0 8 22
122 A 122 VAL V S S S+ 0 0 -104.5 -172.3 -178.0 83.8 70.3 101.6 0 0.0 0 0.0 0 0.0 0 0.0 8 27
123 A 123 ASN N + 0 0 71.8 58.8 180.0 115.1 58.7 17.2 0 0.0 119 -0.7 0 0.0 0 0.0 9 32
124 A 124 SER S + 0 0 -128.4 -8.4 179.1 114.5 46.2 72.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
125 A 125 VAL V S S S- 0 0 -58.4 175.0 179.5 -33.6 88.8 80.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
126 A 126 LYS K S S S- 0 0 -37.7 101.9 -178.7 -87.1 95.1 97.3 0 0.0 0 0.0 0 0.0 0 0.0 4 20
127 A 127 PRO P - 0 0 -18.2 139.2 -179.2 -100.8 49.0 63.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
128 A 128 ILE I E E AE - 78 0 -75.0 126.4 179.1 -157.8 36.3 126.6 78 -1.2 78 -2.2 0 0.0 0 0.0 8 39
129 A 129 ASP D E E AE - 77 0 -105.5 145.2 175.3 -169.4 11.6 142.6 0 0.0 0 0.0 0 0.0 0 0.0 8 42
130 A 130 VAL V E E AE - 76 0 -133.2 96.0 -177.7 -149.7 20.3 150.1 76 -2.6 76 -1.9 0 0.0 0 0.0 7 40
131 A 131 GLU E E E AE - 75 0 -70.6 144.2 178.7 -128.1 10.0 115.2 0 0.0 0 0.0 0 0.0 0 0.0 7 42
132 A 132 ALA A e - 0 0 -89.2 129.4 179.4 -131.5 18.8 139.5 74 -2.8 134 -0.9 0 0.0 0 0.0 10 48
133 A 133 ASN N t > > T - 0 0 -86.9 110.0 -177.9 -162.7 15.1 139.0 0 0.0 136 -1.7 0 0.0 137 -0.5 6 38
134 A 134 LEU L T T 4 3 TS+ 0 0 -74.2 7.1 175.9 65.2 85.0 72.5 132 -0.9 0 0.0 0 0.0 0 0.0 8 38
135 A 135 THR T T T 4 3 TS+ 0 0 -99.8 -12.2 177.7 40.0 108.2 50.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
136 A 136 ASN N T T 4 < TS+ 0 0 -106.9 -2.8 -180.0 52.5 118.8 64.7 133 -1.7 0 0.0 0 0.0 0 0.0 7 33
137 A 137 LEU L S t < TS- 0 0 -132.1 140.7 178.8 -112.4 91.0 170.1 133 -0.5 0 0.0 0 0.0 0 0.0 12 39
138 A 138 ASN N - 0 0 -74.9 117.0 -178.2 -163.2 25.3 131.4 149 -2.7 0 0.0 0 0.0 0 0.0 11 39
139 A 139 PRO P e + 0 0 -78.1 -9.6 -179.4 94.7 63.4 56.6 0 0.0 71 -3.1 0 0.0 141 -1.1 10 47
140 A 140 ILE I E E AD + 70 0 -88.5 103.5 -178.8 166.5 42.1 136.5 0 0.0 0 0.0 0 0.0 0 0.0 11 48
141 A 141 ILE I E E A* + 0 0 -95.6 -1.0 178.1 35.9 64.9 62.2 139 -1.1 0 0.0 69 -1.0 0 0.0 14 53
142 A 142 LYS K E E AD + 69 0 -155.7 128.5 -179.1 115.2 69.9 157.0 69 -1.4 69 -2.2 0 0.0 0 0.0 12 43
143 A 143 ALA A S S S- 0 0 -164.8 -166.5 -178.9 -55.5 77.8 149.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
144 A 144 SER S S S S+ 0 0 -66.2 -11.8 177.4 26.4 121.2 54.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
145 A 145 THR T S S S- 0 0 -145.3 164.5 179.0 -100.5 88.5 160.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
146 A 146 THR T - 0 0 -88.6 138.5 178.8 -145.6 34.3 137.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
147 A 147 PHE F - 0 0 -104.5 157.0 -175.5 -149.8 8.8 136.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
148 A 148 THR T S S S+ 0 0 -97.6 -20.6 -176.2 52.4 87.3 45.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
149 A 149 ASP D S S S+ 0 0 -113.1 36.3 179.1 135.9 70.0 99.9 0 0.0 138 -2.7 0 0.0 0 0.0 10 35
150 A 150 THR T e - 0 0 -78.0 166.3 -177.3 -64.3 67.6 107.3 0 0.0 98 -1.9 0 0.0 0 0.0 16 46
151 A 151 PRO P E E B G + 0 97 -59.6 135.0 178.5 180.0 51.3 105.1 0 0.0 53 -1.9 0 0.0 54 -0.6 14 54
152 A 152 LYS K E E BBG - 52 96 -133.7 130.6 -179.5 -150.0 14.3 177.9 96 -2.0 96 -2.9 0 0.0 0 0.0 12 57
153 A 153 LEU L E E BBG - 51 95 -106.0 129.9 178.6 -163.4 8.0 154.4 51 -2.7 51 -2.9 0 0.0 0 0.0 12 67
154 A 154 LEU L E E BBG + 50 94 -110.8 133.9 177.5 177.6 12.6 157.8 94 -3.1 94 -1.7 0 0.0 0 0.0 15 57
155 A 155 TYR Y E E BBG - 49 93 -140.7 149.8 -178.2 -174.3 14.0 172.2 49 -2.2 49 -1.7 0 0.0 0 0.0 13 62
156 A 156 TYR Y E E BBG - 48 92 -137.3 135.2 -179.5 -176.1 8.6 175.2 92 -2.2 92 -3.1 0 0.0 0 0.0 15 49
157 A 157 SER S E E BBG - 47 91 -140.7 133.3 178.8 -161.2 11.5 175.4 47 -3.0 47 -2.1 0 0.0 0 0.0 13 52
158 A 158 LYS K E E B G - 0 90 -114.0 127.8 179.6 -158.9 15.3 164.8 90 -1.5 90 -2.1 0 0.0 0 0.0 11 44
159 A 159 ALA A - 0 0 -101.5 162.3 178.8 -85.6 31.4 131.8 0 0.0 0 0.0 0 0.0 0 0.0 13 41
160 A 160 GLN Q - 0 0 -61.8 149.8 -180.0 -119.7 36.4 105.7 0 0.0 0 0.0 0 0.0 0 0.0 11 32
161 A 161 ALA A S S S+ 0 0 -55.0 -46.8 177.4 46.6 115.3 23.6 0 0.0 163 -1.0 0 0.0 0 0.0 4 21
162 A 162 THR T S S S- 0 0 -97.9 89.7 -177.0 -165.2 96.8 147.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
163 A 163 ALA A - 0 0 -86.2 154.8 178.2 -117.3 14.6 118.3 161 -1.0 0 0.0 0 0.0 0 0.0 10 30
164 A 164 PRO P - 0 0 -77.8 171.6 -179.1 -126.3 16.9 100.8 0 0.0 0 0.0 0 0.0 0 0.0 10 30
165 A 165 THR T S S S+ 0 0 -100.0 -7.6 178.4 57.8 93.6 60.5 0 0.0 0 0.0 0 0.0 0 0.0 5 25
166 A 166 SER S S S S- 0 0 -120.0 147.5 179.8 -94.9 98.2 157.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
167 A 167 PRO P - 0 0 -63.9 147.4 178.4 -150.5 17.9 106.0 0 0.0 0 0.0 0 0.0 0 0.0 13 42
168 A 168 THR T S e S- 0 0 -90.1 -12.8 178.0 -3.4 78.2 56.5 42 -2.1 81 -2.1 0 0.0 0 0.0 19 50
169 A 169 CYS C E E AAC - 42 80 -170.9 161.1 179.6 -129.0 62.2 166.0 42 -1.4 42 -2.9 0 0.0 0 0.0 13 58
170 A 170 TYR Y E E AAC - 41 79 -120.8 144.1 179.2 -145.9 13.8 159.3 79 -2.4 79 -2.9 0 0.0 172 -0.5 14 55
171 A 171 LEU L E E AAC + 40 78 -110.5 124.1 179.6 166.0 27.9 160.1 40 -2.9 39 -2.8 0 0.0 40 -1.7 13 56
172 A 172 THR T E E AAC - 38 77 -130.9 167.1 175.0 -139.7 27.7 147.8 77 -2.3 77 -2.5 170 -0.5 0 0.0 13 49
173 A 173 ILE I E E AAC - 37 76 -126.2 142.7 -179.8 -174.9 20.7 167.6 37 -2.2 37 -2.9 0 0.0 0 0.0 12 52
174 A 174 GLN Q E E AAC + 36 75 -135.9 150.0 179.2 115.5 20.2 168.9 75 -2.2 75 -2.4 0 0.0 0 0.0 12 47
175 A 175 GLY G E E AAC - 35 74 177.6 -169.5 178.9 -90.1 52.3 170.2 35 -2.3 35 -2.5 0 0.0 0 0.0 12 45
176 A 176 GLN Q E E AAC - 34 73 -131.8 133.8 -179.6 -157.5 29.1 179.0 73 -1.8 72 -3.0 0 0.0 73 -1.0 12 40
177 A 177 ILE I E E AAC - 33 71 -118.5 128.4 178.7 -139.4 11.7 161.1 33 -2.4 33 -2.6 0 0.0 179 -0.5 13 48
178 A 178 GLU E E E AAC - 32 70 -83.2 123.9 -179.3 -169.0 26.1 139.3 70 -3.7 70 -2.3 0 0.0 0 0.0 12 40
179 A 179 LEU L E E AAC + 31 69 -115.5 144.1 178.6 153.2 14.3 153.5 31 -3.0 31 -2.0 177 -0.5 0 0.0 14 39
180 A 180 SER S E E A C + 0 68 -161.5 163.7 -179.4 45.8 40.4 167.3 68 -1.6 68 -2.0 0 0.0 67 -0.9 12 32
181 A 181 SER S E E A * S- 0 0 61.4 85.8 -179.2 -118.5 78.0 6.7 0 0.0 67 -2.5 0 0.0 0 0.0 9 32
182 A 182 PRO P E E A C - 0 66 -51.8 141.4 178.4 -142.5 20.4 99.1 0 0.0 184 -0.6 0 0.0 0 0.0 7 29
183 A 183 LEU L e - 0 0 -110.3 120.6 -178.8 -112.4 25.0 159.5 65 -3.1 0 0.0 0 0.0 0 0.0 8 24
184 A 184 LEU L + 0 0 -56.3 119.1 178.8 160.7 50.7 109.6 182 -0.6 0 0.0 0 0.0 0 0.0 5 15
185 A 185 GLN Q - 0 0 -132.1 163.8 179.0 -96.9 43.8 149.1 0 0.0 0 0.0 0 0.0 0 0.0 5 15
186 A 186 ALA A - 0 0 -81.4 151.4 179.5 -144.4 20.5 125.9 0 0.0 0 0.0 0 0.0 0 0.0 4 10
187 A 187 A SER S 0 0 -94.5 2.1 179.2 999.9 999.9 60.8 0 0.0 0 0.0 0 0.0 0 0.0 3 10
188 A 188 A SER S 0 0 -58.2 999.9 999.9 999.9 999.9 12.2 0 0.0 0 0.0 0 0.0 0 0.0 2 6
1ddlA.pdb
1DDL VIRUS/VIRAL PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S S EEEEEEEEEEEESSS EEEEEEGGG HHHHHHHTTEEEEEEEEEEEEEEE TTTTTS EEEEEEEEETT Kabs/Sand
chirality --+---------+---+---------------+---+---++---++----+++-+++++++++-+++---++-------+++++---++++-+--++- chirality
bends S S SSS SSS SSSSSSSSS S S SSSSSS SS bends
turns TTTTTTTTTTTTTTT TTTTTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >>33<< >3><3< >33< 3-turns
bridge-2 DD EEEE GGGGGGGG bridge-2
bridge-1 AAAAAAAA*AAA BBBBBB C*CCCC*CCCCCCCC FFFFF bridge-1
sheets AAAAAAAAAAAA BBBBBB AAAAAAAAAAAAAAA BBBBBBBBB sheets
4-turns >>4>X<4<< >444< 4-turns
summary S S EEEEEEEEEEEESSS EEEEEEeTThHHHHHHHheEEEEEEEEEEEEEEEeTTTTTt EEEEEEEEEeTt summary
sequence MEQDKILAHQASLNTKPSLLPPPVGNPPPVISYPFQITLASLGTEDAADSVSIASNSVLATYTALYRHAQLKHLKATIHPTYMAPKYPTSVALVWVPANS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGGGGGSTT EEEEE SSS SS EEEE TTTS EEESSS SS EEEEEEEE SS SS SEEEEEEEEEEEEEE Kabs/Sand
chirality +--++++++-++------+-++++---------+++--++++-+---++-+--+------+---+-----+--+----++---+-- chirality
bends SS SSSSSS SSS SS SSSS SSS SS SS SS S S bends
turns TTTTTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >>3XX333< 3-turns
bridge-2 GGGGGGGG CCCCCCCCCCCC*C bridge-2
bridge-1 FFFFF EEEE D*D BBBBBB AAAAAAAAAAA bridge-1
sheets BBBBB AAAA AAA BBBBBBBB AAAAAAAAAAAAAA sheets
4-turns >444< 4-turns
summary gGGGGGGgTTtEEEEE SSS SS EEEEetTTTt eEEESSS SSeEEEEEEEE SS SS eEEEEEEEEEEEEEEe summary
sequence TATSTQVLDTYGGLHFCIGGSVNSVKPIDVEANLTNLNPIIKASTTFTDTPKLLYYSKAQATAPTSPTCYLTIQGQIELSSPLLQASS sequence
110 120 130 140 150 160 170 180