Secondary structure calculation program - copyright by David Keith Smith, 1989
1qciA.pdb
1QCI ANTIVIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 262
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 VAL V 0 0 999.9 121.0 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
2 A 2 ASN N e - 0 0 -100.1 142.3 178.7 -144.2 999.9 140.1 0 0.0 51 -2.3 0 0.0 0 0.0 7 34
3 A 3 THR T E E Aa - 51 0 -112.8 132.9 179.9 -148.1 1.8 158.0 0 0.0 5 -0.5 0 0.0 0 0.0 8 43
4 A 4 ILE I E E Aa - 52 0 -95.9 124.9 179.4 -149.8 16.5 150.7 51 -2.9 53 -3.0 0 0.0 6 -0.5 11 44
5 A 5 ILE I E E Aa + 53 0 -103.3 127.5 -179.4 179.3 16.7 153.1 3 -0.5 0 0.0 0 0.0 0 0.0 9 44
6 A 6 TYR Y E E Aa - 54 0 -130.7 119.1 178.9 -143.8 21.5 169.2 53 -3.0 55 -2.6 4 -0.5 8 -0.7 10 49
7 A 7 ASN N E E Aa + 55 0 -81.9 110.1 179.8 174.3 21.6 137.6 0 0.0 0 0.0 0 0.0 0 0.0 9 45
8 A 8 VAL V S e S+ 0 0 -83.7 -40.9 -179.5 63.4 73.2 29.6 55 -2.0 0 0.0 6 -0.7 0 0.0 13 51
9 A 9 GLY G S S S+ 0 0 -58.1 -21.5 -180.0 23.0 118.1 46.7 55 -1.8 0 0.0 0 0.0 0 0.0 9 37
10 A 10 SER S S S S+ 0 0 -152.8 103.8 -179.1 121.5 88.4 142.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
11 A 11 THR T - 0 0 -150.6 -179.2 178.9 -141.0 39.3 152.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
12 A 12 THR T h > T - 0 0 -139.8 170.2 179.5 -101.1 42.2 147.3 0 0.0 16 -2.2 0 0.0 0 0.0 6 29
13 A 13 ILE I H H > TS+ 0 0 -67.2 -25.5 -179.9 57.8 124.5 37.6 0 0.0 17 -1.9 0 0.0 0 0.0 8 33
14 A 14 SER S H H > TS+ 0 0 -71.4 -38.3 179.7 46.4 106.3 31.6 0 0.0 18 -1.5 0 0.0 0 0.0 7 25
15 A 15 LYS K H H > TS+ 0 0 -72.4 -39.0 178.6 52.0 111.2 24.4 0 0.0 19 -2.4 0 0.0 0 0.0 8 33
16 A 16 TYR Y H H X TS+ 0 0 -63.1 -41.4 178.9 51.0 108.9 24.5 12 -2.2 20 -2.4 0 0.0 0 0.0 10 52
17 A 17 ALA A H H X TS+ 0 0 -62.7 -39.2 179.3 48.6 110.9 30.3 13 -1.9 21 -1.5 0 0.0 0 0.0 9 41
18 A 18 THR T H H X TS+ 0 0 -66.6 -43.8 179.4 53.8 108.9 28.3 14 -1.5 22 -2.2 0 0.0 0 0.0 8 34
19 A 19 PHE F H H X > TS+ 0 0 -55.3 -58.6 -180.0 43.3 111.4 11.3 15 -2.4 23 -2.5 0 0.0 22 -0.6 11 48
20 A 20 LEU L H H X 3 TS+ 0 0 -57.8 -33.4 179.7 55.9 112.4 34.4 16 -2.4 24 -2.5 0 0.0 0 0.0 11 56
21 A 21 ASN N H H X 3 TS+ 0 0 -66.7 -40.0 178.9 44.8 109.2 29.8 17 -1.5 25 -1.7 0 0.0 0 0.0 9 43
22 A 22 ASP D H H X < TS+ 0 0 -69.9 -43.2 179.8 50.5 113.8 24.6 18 -2.2 26 -1.5 19 -0.6 0 0.0 9 43
23 A 23 LEU L H H X TS+ 0 0 -60.8 -47.1 179.4 48.8 110.5 22.4 19 -2.5 27 -3.2 0 0.0 0 0.0 10 60
24 A 24 ARG R H H X TS+ 0 0 -60.0 -42.4 180.0 47.6 113.1 25.7 20 -2.5 28 -2.3 0 0.0 0 0.0 12 57
25 A 25 ASN N H H < TS+ 0 0 -71.2 -24.0 179.6 46.0 115.4 42.5 21 -1.7 0 0.0 0 0.0 0 0.0 7 49
26 A 26 GLU E H H < TS+ 0 0 -83.6 -43.6 -179.5 41.0 117.7 26.2 22 -1.5 0 0.0 0 0.0 0 0.0 8 47
27 A 27 ALA A H H < TS+ 0 0 -72.0 -44.7 -178.4 89.6 97.0 26.2 23 -3.2 0 0.0 0 0.0 0 0.0 13 56
28 A 28 LYS K S h < TS- 0 0 -56.1 157.4 177.3 -102.8 86.2 92.4 24 -2.3 0 0.0 0 0.0 0 0.0 13 52
29 A 29 ASP D - 0 0 -80.5 134.6 -179.7 -120.1 32.6 131.2 39 -2.3 0 0.0 0 0.0 0 0.0 11 44
30 A 30 PRO P S S S+ 0 0 -47.0 -32.1 -178.8 8.2 104.1 40.6 0 0.0 0 0.0 0 0.0 0 0.0 4 31
31 A 31 SER S S S S+ 0 0 -125.1 -25.6 179.9 110.5 96.1 49.7 0 0.0 0 0.0 0 0.0 0 0.0 5 33
32 A 32 LEU L e + 0 0 -58.9 123.3 179.1 136.4 41.3 111.6 0 0.0 39 -2.5 0 0.0 0 0.0 11 42
33 A 33 LYS K E E BB - 38 0 -169.3 141.9 179.4 -153.9 36.7 156.4 0 0.0 0 0.0 0 0.0 0 0.0 12 44
34 A 34 CYS C E E BB > TS- 37 0 -126.3 125.5 179.2 -12.3 80.0 170.4 37 -2.4 37 -1.8 0 0.0 0 0.0 13 46
35 A 35 TYR Y T T 3 TS- 0 0 56.5 38.8 179.3 -52.0 130.0 29.5 260 -2.9 0 0.0 0 0.0 0 0.0 11 42
36 A 36 GLY G T T 3 TS+ 0 0 79.4 1.1 179.7 118.9 113.7 61.4 261 -2.6 0 0.0 0 0.0 0 0.0 7 41
37 A 37 ILE I E E BB < T - 34 0 -103.7 120.2 179.9 -125.9 65.8 152.9 34 -1.8 34 -2.4 0 0.0 0 0.0 13 50
38 A 38 PRO P E E BB - 33 0 -63.9 143.3 -179.0 -144.8 25.1 111.3 0 0.0 252 -2.5 0 0.0 0 0.0 13 53
39 A 39 MET M B e a - 252 0 -113.4 146.0 179.7 -109.4 15.1 150.0 32 -2.5 29 -2.3 0 0.0 0 0.0 14 55
40 A 40 LEU L - 0 0 -65.2 160.4 -178.9 -91.4 47.9 103.9 252 -2.8 0 0.0 0 0.0 0 0.0 16 59
41 A 41 PRO P - 0 0 -80.8 163.7 175.8 -97.4 34.0 103.6 0 0.0 0 0.0 0 0.0 0 0.0 13 43
42 A 42 ASN N t > T - 0 0 -64.1 151.8 -179.3 -109.7 42.8 110.2 0 0.0 45 -1.7 0 0.0 0 0.0 9 33
43 A 43 THR T T T 3 TS+ 0 0 -62.5 -15.7 -180.0 63.1 116.4 48.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
44 A 44 ASN N T T 3 TS+ 0 0 -84.8 -13.2 -178.6 104.7 80.9 53.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
45 A 45 THR T S t < TS- 0 0 -76.2 140.0 178.6 -101.8 71.6 116.6 42 -1.7 0 0.0 0 0.0 0 0.0 7 28
46 A 46 ASN N S S S+ 0 0 -114.0 142.7 -0.2 38.8 99.7 153.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
47 A 47 PRO P - 0 0 -71.1 166.3 -179.0 -171.4 69.7 49.1 0 0.0 0 0.0 0 0.0 0 0.0 6 34
48 A 48 LYS K e + 0 0 -98.7 -10.8 -177.5 45.9 64.9 54.6 0 0.0 68 -2.5 0 0.0 69 -0.5 11 44
49 A 49 TYR Y E E A C - 0 67 -130.1 173.3 178.3 -163.1 55.0 138.0 0 0.0 0 0.0 0 0.0 0 0.0 12 53
50 A 50 VAL V E E A C - 0 66 -156.0 132.3 -179.9 -139.9 18.7 161.9 66 -1.6 66 -2.5 0 0.0 0 0.0 15 57
51 A 51 LEU L E E AaC - 3 65 -98.2 151.9 179.8 -158.8 6.2 137.3 2 -2.3 4 -2.9 0 0.0 0 0.0 13 59
52 A 52 VAL V E E AaC - 4 64 -132.7 106.2 179.4 -157.0 6.8 162.1 64 -2.2 64 -3.0 0 0.0 54 -0.7 12 60
53 A 53 GLU E E E AaC - 5 63 -88.7 116.1 179.7 -160.3 5.9 142.8 4 -3.0 6 -3.0 0 0.0 55 -0.8 12 55
54 A 54 LEU L E E AaC - 6 62 -98.7 105.9 180.0 -159.5 3.1 149.6 62 -2.9 62 -1.6 52 -0.7 56 -1.0 12 63
55 A 55 GLN Q E E AaC - 7 61 -90.6 99.9 179.2 -176.2 17.2 138.8 6 -2.6 8 -2.0 53 -0.8 9 -1.8 13 47
56 A 56 GLY G e > T - 0 0 -82.1 -172.9 -179.3 -70.4 32.7 94.7 60 -2.3 59 -0.5 54 -1.0 0 0.0 15 43
57 A 57 SER S T T 3 TS+ 0 0 -80.3 156.9 179.3 27.0 111.1 113.0 0 0.0 0 0.0 0 0.0 0 0.0 10 31
58 A 58 ASN N T T 3 TS- 0 0 61.1 34.9 -179.8 -65.8 132.2 38.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
59 A 59 LYS K S t < TS+ 0 0 55.2 44.3 178.2 146.4 93.1 26.3 56 -0.5 61 -0.6 0 0.0 0 0.0 6 31
60 A 60 LYS K e + 0 0 -110.1 117.9 -178.7 175.8 22.4 165.1 0 0.0 56 -2.3 0 0.0 0 0.0 11 43
61 A 61 THR T E E AC - 55 0 -126.3 155.1 177.5 -172.8 18.6 150.7 59 -0.6 0 0.0 0 0.0 0 0.0 13 51
62 A 62 ILE I E E AC - 54 0 -145.7 129.1 179.1 -148.1 14.1 165.6 54 -1.6 54 -2.9 0 0.0 64 -0.5 14 61
63 A 63 THR T E E ACD - 53 77 -104.8 126.7 -180.0 -152.2 11.4 156.8 77 -2.6 77 -2.3 0 0.0 0 0.0 12 64
64 A 64 LEU L E E ACD - 52 76 -97.9 135.5 177.5 -148.9 2.8 142.9 52 -3.0 52 -2.2 62 -0.5 66 -0.6 13 72
65 A 65 MET M E E ACD - 51 75 -106.0 122.8 -179.2 -173.2 19.2 156.0 75 -2.8 74 -2.7 0 0.0 75 -1.0 14 61
66 A 66 LEU L E E ACD - 50 73 -120.0 141.1 177.5 -129.8 24.4 158.4 50 -2.5 50 -1.6 64 -0.6 0 0.0 13 68
67 A 67 ARG R E E >AC > T - 49 0 -85.1 124.7 -179.0 -148.4 15.7 139.1 72 -2.2 71 -2.1 0 0.0 70 -0.5 12 63
68 A 68 ARG R T e 4 3 TS+ 0 0 -62.1 -38.0 -179.3 67.3 90.3 29.9 48 -2.5 0 0.0 0 0.0 0 0.0 14 55
69 A 69 ASN N T T 4 3 TS- 0 0 -51.5 -40.8 -179.7 -0.4 128.9 33.2 48 -0.5 254 -1.2 0 0.0 0 0.0 12 48
70 A 70 ASN N T T 4 < TS- 0 0 -135.1 7.1 -179.9 -118.9 92.6 72.3 67 -0.5 0 0.0 0 0.0 0 0.0 8 60
71 A 71 LEU L t < T + 0 0 61.5 16.2 178.8 158.4 56.8 50.7 67 -2.1 0 0.0 0 0.0 0 0.0 10 63
72 A 72 TYR Y e - 0 0 -70.8 146.6 177.6 -120.6 47.1 113.8 0 0.0 67 -2.2 0 0.0 74 -0.7 8 61
73 A 73 VAL V E E AD - 66 0 -88.2 114.5 -178.9 -177.8 29.6 145.5 0 0.0 0 0.0 0 0.0 0 0.0 12 66
74 A 74 MET M E E A* - 0 0 -86.6 -23.7 -179.8 -51.4 58.6 46.9 65 -2.7 90 -2.5 72 -0.7 0 0.0 12 59
75 A 75 GLY G E E ADE - 65 89 169.7 -177.3 -179.8 -124.3 51.6 165.8 65 -1.0 65 -2.8 0 0.0 0 0.0 13 64
76 A 76 TYR Y E E ADE - 64 88 -149.5 167.6 178.7 -146.8 9.0 164.2 88 -1.8 88 -2.4 0 0.0 0 0.0 13 74
77 A 77 SER S E E ADE - 63 87 -136.5 160.2 178.9 -166.1 7.2 156.8 63 -2.3 63 -2.6 0 0.0 0 0.0 13 64
78 A 78 ASP D E E A E - 0 86 -146.6 145.1 179.4 -98.6 36.1 175.8 86 -1.8 86 -2.2 0 0.0 0 0.0 13 61
79 A 79 PRO P E E A E - 0 85 -63.9 129.2 -176.5 -168.0 52.9 118.6 0 0.0 0 0.0 0 0.0 0 0.0 12 44
80 A 80 PHE F E E >A E T - 0 84 -129.2 149.3 -179.1 -33.1 35.3 162.2 84 -2.4 84 -1.9 0 0.0 0 0.0 11 36
81 A 81 GLU E T T 4 TS- 0 0 44.4 -137.7 -179.2 -24.2 114.1 96.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
82 A 82 THR T T T 4 TS- 0 0 -65.2 -79.7 -179.2 -22.7 132.3 4.6 0 0.0 0 0.0 0 0.0 0 0.0 4 19
83 A 83 ASN N T T 4 TS+ 0 0 -127.3 32.3 -179.9 130.0 101.7 95.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
84 A 84 LYS K E E T - 117 0 -70.2 138.4 179.6 -123.4 23.1 118.6 74 -2.5 93 -2.2 0 0.0 0 0.0 13 48
91 A 91 ASN N T T 3 TS+ 0 0 -49.7 -31.1 -178.2 61.4 110.5 38.1 119 -1.7 0 0.0 117 -0.9 0 0.0 10 36
92 A 92 ASP D T T 3 TS+ 0 0 -86.6 12.9 178.5 103.0 77.8 76.8 0 0.0 94 -0.5 0 0.0 0 0.0 7 32
93 A 93 ILE I t < T - 0 0 -97.3 130.0 -177.7 -170.1 56.0 149.9 90 -2.2 0 0.0 0 0.0 0 0.0 9 36
94 A 94 SER S t > T - 0 0 -126.3 156.6 177.2 -19.0 32.1 152.9 92 -0.5 97 -1.1 0 0.0 0 0.0 6 25
95 A 95 GLY G T h > > TS- 0 0 62.6 -134.5 -179.5 -3.5 120.5 107.2 0 0.0 98 -1.0 0 0.0 99 -0.5 6 15
96 A 96 THR T H H > > TS+ 0 0 -64.3 -30.0 179.0 69.2 125.1 38.3 0 0.0 100 -2.2 0 0.0 99 -1.0 6 21
97 A 97 GLU E H H > < TS+ 0 0 -59.6 -28.0 178.4 60.4 92.5 36.6 94 -1.1 101 -2.1 0 0.0 0 0.0 8 38
98 A 98 ARG R H H > < TS+ 0 0 -67.8 -33.5 179.1 43.6 107.3 36.6 95 -1.0 102 -1.5 0 0.0 0 0.0 10 37
99 A 99 GLN Q H H X < TS+ 0 0 -78.9 -35.7 177.6 57.4 110.0 33.4 96 -1.0 103 -3.0 95 -0.5 0 0.0 8 36
100 A 100 ASP D H H X TS+ 0 0 -59.0 -42.0 179.4 48.8 106.7 25.6 96 -2.2 104 -2.1 0 0.0 0 0.0 8 41
101 A 101 VAL V H H X TS+ 0 0 -63.8 -49.2 178.9 45.2 114.4 18.6 97 -2.1 105 -2.2 0 0.0 0 0.0 13 52
102 A 102 GLU E H H X TS+ 0 0 -60.4 -51.8 -178.3 38.1 120.1 18.1 98 -1.5 106 -2.0 0 0.0 0 0.0 11 48
103 A 103 THR T H H < TS+ 0 0 -75.0 -24.0 179.9 50.5 117.5 42.0 99 -3.0 0 0.0 0 0.0 0 0.0 10 42
104 A 104 THR T H H < TS+ 0 0 -79.7 -42.6 -179.9 38.7 116.4 27.3 100 -2.1 0 0.0 0 0.0 0 0.0 8 49
105 A 105 LEU L H H < TS+ 0 0 -73.5 -46.0 179.8 29.1 130.1 25.1 101 -2.2 0 0.0 0 0.0 0 0.0 12 54
106 A 106 CYS C h < T + 0 0 -118.7 76.5 -179.6 177.6 67.4 132.1 102 -2.0 0 0.0 0 0.0 0 0.0 13 46
107 A 107 PRO P + 0 0 -50.7 -21.8 -179.9 86.5 62.9 49.8 0 0.0 109 -1.1 0 0.0 0 0.0 7 34
108 A 108 ASN N t > > T - 0 0 -90.4 97.6 -179.8 -169.8 60.1 137.2 0 0.0 111 -1.1 0 0.0 112 -0.9 7 25
109 A 109 ALA A T T 4 3 TS+ 0 0 -55.6 -26.1 -178.7 58.1 83.5 40.7 107 -1.1 0 0.0 0 0.0 0 0.0 7 21
110 A 110 ASN N T T 4 3 TS+ 0 0 -78.9 -28.7 -177.4 33.3 111.9 38.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
111 A 111 SER S T e 4 < TS+ 0 0 -112.4 6.5 -179.0 116.7 86.4 68.0 108 -1.1 85 -1.7 0 0.0 0 0.0 9 24
112 A 112 ARG R E E > T - 0 0 -71.2 138.6 179.7 -125.2 67.4 120.0 0 0.0 126 -2.4 0 0.0 125 -0.8 6 44
123 A 123 TYR Y H H > 3 TS+ 0 0 -51.7 -43.7 -180.0 55.4 109.0 28.3 0 0.0 127 -3.4 0 0.0 0 0.0 8 49
124 A 124 PRO P H H > 3 TS+ 0 0 -61.9 -32.0 178.2 46.1 110.7 28.9 0 0.0 128 -2.1 0 0.0 0 0.0 7 33
125 A 125 THR T H H > < TS+ 0 0 -71.1 -46.9 178.9 46.7 114.5 22.3 122 -0.8 129 -2.5 0 0.0 0 0.0 10 32
126 A 126 LEU L H H X TS+ 0 0 -60.0 -45.7 179.3 49.7 113.1 19.4 122 -2.4 130 -2.7 0 0.0 0 0.0 15 43
127 A 127 GLU E H H X >TS+ 0 0 -59.8 -44.8 178.7 50.0 110.8 22.2 123 -3.4 132 -2.4 0 0.0 131 -1.1 14 39
128 A 128 SER S H H < 5TS+ 0 0 -61.0 -43.0 179.7 45.9 112.6 25.5 124 -2.1 0 0.0 0 0.0 0 0.0 9 30
129 A 129 LYS K H H < 5TS+ 0 0 -68.4 -35.3 179.0 53.6 110.6 30.0 125 -2.5 0 0.0 0 0.0 0 0.0 10 34
130 A 130 ALA A H H < 5TS- 0 0 -71.0 -19.5 179.7 -121.0 115.8 45.3 126 -2.7 0 0.0 0 0.0 0 0.0 11 38
131 A 131 GLY G T h < 5TS+ 0 0 84.9 25.6 -179.3 118.0 71.3 43.1 127 -1.1 0 0.0 0 0.0 0 0.0 7 27
132 A 132 VAL V t T - 0 0 -153.2 145.8 179.8 -124.1 68.4 173.4 0 0.0 137 -2.0 0 0.0 0 0.0 8 34
135 A 135 ARG R G G > TS+ 0 0 -66.1 -5.5 178.4 81.3 103.6 57.9 0 0.0 138 -1.1 0 0.0 0 0.0 11 47
136 A 136 SER S G G 3 TS+ 0 0 -70.0 -23.6 -179.8 57.7 86.8 39.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
137 A 137 GLN Q G G < TS+ 0 0 -81.7 -10.9 -179.9 81.7 92.4 58.2 134 -2.0 139 -0.7 0 0.0 0 0.0 8 33
138 A 138 VAL V S g < TS- 0 0 -102.0 112.2 -179.5 -136.8 80.6 152.7 135 -1.1 0 0.0 0 0.0 0 0.0 11 47
139 A 139 GLN Q - 0 0 -71.2 141.6 178.3 -151.1 12.5 114.5 137 -0.7 0 0.0 0 0.0 0 0.0 12 46
140 A 140 LEU L B B C + 195 0 -103.5 164.4 -179.5 132.0 31.7 130.0 195 -3.0 195 -2.2 0 0.0 0 0.0 13 51
141 A 141 GLY G h > T - 0 0 157.8 152.8 -179.7 -102.8 61.8 136.1 0 0.0 145 -2.6 0 0.0 0 0.0 14 52
142 A 142 ILE I H H > TS+ 0 0 -62.2 -45.6 178.9 45.1 122.2 25.6 191 -0.5 146 -2.4 0 0.0 0 0.0 11 56
143 A 143 GLN Q H H > TS+ 0 0 -69.8 -26.8 179.4 53.1 112.8 36.9 0 0.0 147 -2.3 0 0.0 0 0.0 11 43
144 A 144 ILE I H H > TS+ 0 0 -71.7 -45.2 179.0 46.2 110.4 20.5 0 0.0 148 -2.2 0 0.0 0 0.0 11 47
145 A 145 LEU L H H X TS+ 0 0 -60.9 -45.0 179.3 49.2 114.0 23.3 141 -2.6 149 -1.8 0 0.0 0 0.0 13 58
146 A 146 ASP D H H X TS+ 0 0 -59.9 -45.7 -179.7 49.9 111.2 22.0 142 -2.4 150 -1.8 0 0.0 0 0.0 12 51
147 A 147 SER S H H X TS+ 0 0 -63.5 -36.9 179.9 50.0 109.8 35.5 143 -2.3 151 -0.7 0 0.0 0 0.0 9 44
148 A 148 ASN N H H X TS+ 0 0 -73.7 -30.8 177.1 56.2 106.1 35.9 144 -2.2 152 -0.6 0 0.0 0 0.0 11 53
149 A 149 ILE I H H X > TS+ 0 0 -64.9 -42.2 -179.6 51.7 106.4 22.6 145 -1.8 153 -3.0 0 0.0 152 -1.1 13 58
150 A 150 GLY G H H < 3 TS+ 0 0 -68.5 -22.2 179.6 56.6 104.0 44.2 146 -1.8 0 0.0 0 0.0 0 0.0 12 43
151 A 151 LYS K H H < 3 TS+ 0 0 -83.1 -13.9 -177.7 25.2 122.1 51.3 147 -0.7 0 0.0 0 0.0 0 0.0 9 40
152 A 152 ILE I H H < X TS+ 0 0 -116.1 -46.1 -179.7 96.5 92.9 41.7 149 -1.1 155 -1.9 148 -0.6 0 0.0 11 52
153 A 153 SER S T h < 3 TS- 0 0 -56.1 118.1 179.9 -9.9 109.9 108.1 149 -3.0 0 0.0 0 0.0 0 0.0 12 52
154 A 154 GLY G T T 3 TS+ 0 0 71.8 2.4 179.9 131.3 100.5 61.1 0 0.0 156 -0.5 0 0.0 0 0.0 9 42
155 A 155 VAL V t < T - 0 0 -93.9 125.7 -177.8 -144.2 52.3 143.2 152 -1.9 0 0.0 0 0.0 0 0.0 8 38
156 A 156 MET M S S S+ 0 0 -47.8 -72.9 179.3 13.1 78.2 18.6 154 -0.5 0 0.0 0 0.0 0 0.0 4 30
157 A 157 SER S + 0 0 -112.2 150.5 177.7 171.0 65.9 146.8 0 0.0 0 0.0 0 0.0 0 0.0 4 29
158 A 158 PHE F - 0 0 -157.5 137.9 180.0 -100.3 35.9 163.6 0 0.0 0 0.0 0 0.0 0 0.0 9 30
159 A 159 THR T h > T - 0 0 -54.6 155.0 177.4 -119.2 27.6 94.9 0 0.0 163 -2.1 0 0.0 0 0.0 6 31
160 A 160 GLU E H H > TS+ 0 0 -66.0 -26.5 178.2 56.0 117.8 39.5 0 0.0 164 -2.6 0 0.0 0 0.0 8 37
161 A 161 LYS K H H > TS+ 0 0 -68.4 -50.6 178.9 47.7 106.4 20.3 0 0.0 165 -2.5 0 0.0 0 0.0 9 36
162 A 162 THR T H H > TS+ 0 0 -56.8 -44.9 -179.4 46.4 115.3 23.6 0 0.0 166 -1.8 0 0.0 0 0.0 12 40
163 A 163 GLU E H H X TS+ 0 0 -65.9 -45.2 179.4 51.0 111.1 22.3 159 -2.1 167 -2.6 0 0.0 0 0.0 10 58
164 A 164 ALA A H H X TS+ 0 0 -60.7 -39.5 178.8 53.4 107.6 29.9 160 -2.6 168 -2.9 0 0.0 0 0.0 12 58
165 A 165 GLU E H H X TS+ 0 0 -62.9 -44.3 177.7 47.3 110.4 22.1 161 -2.5 169 -2.3 0 0.0 0 0.0 12 55
166 A 166 PHE F H H X TS+ 0 0 -60.7 -50.8 -179.7 47.6 113.6 16.4 162 -1.8 170 -3.3 0 0.0 0 0.0 11 66
167 A 167 LEU L H H X TS+ 0 0 -57.6 -43.5 179.3 52.3 110.5 25.7 163 -2.6 171 -2.9 0 0.0 0 0.0 9 71
168 A 168 LEU L H H X TS+ 0 0 -57.5 -52.1 -179.7 39.3 116.1 17.0 164 -2.9 172 -1.9 0 0.0 0 0.0 12 64
169 A 169 VAL V H H X TS+ 0 0 -64.5 -46.0 -179.2 47.3 118.7 22.1 165 -2.3 173 -2.9 0 0.0 0 0.0 14 67
170 A 170 ALA A H H X >TS+ 0 0 -65.5 -44.5 179.0 48.5 111.8 26.1 166 -3.3 174 -1.6 0 0.0 175 -0.5 10 74
171 A 171 ILE I H H X >TS+ 0 0 -63.6 -41.2 -179.4 42.8 117.2 22.6 167 -2.9 176 -2.3 0 0.0 175 -0.7 10 67
172 A 172 GLN Q H H < >TS+ 0 0 -71.7 -44.7 -179.4 43.0 118.1 19.7 168 -1.9 177 -1.1 0 0.0 0 0.0 9 68
173 A 173 MET M H H < 5TS+ 0 0 -77.1 -15.2 178.1 27.1 129.9 49.0 169 -2.9 0 0.0 0 0.0 0 0.0 11 80
174 A 174 VAL V H H X 5TS+ 0 0 -107.8 -68.9 -179.1 24.1 131.8 37.0 170 -1.6 178 -1.6 0 0.0 0 0.0 9 77
175 A 175 SER S H H X TS+ 0 0 -61.1 -36.7 179.6 58.7 97.9 32.6 0 0.0 185 -2.5 0 0.0 0 0.0 12 48
182 A 182 TYR Y H H > TS+ 0 0 -60.7 -44.9 -178.5 46.4 105.9 23.0 248 -1.4 186 -1.7 0 0.0 0 0.0 11 49
183 A 183 ILE I H H > TS+ 0 0 -67.8 -35.4 177.6 53.6 110.1 29.7 0 0.0 187 -1.7 0 0.0 0 0.0 11 57
184 A 184 GLU E H H X TS+ 0 0 -60.8 -49.0 179.4 48.4 110.0 19.8 180 -1.8 188 -2.1 0 0.0 0 0.0 12 53
185 A 185 ASN N H H X TS+ 0 0 -62.4 -33.0 177.6 57.5 105.7 38.3 181 -2.5 189 -2.4 0 0.0 0 0.0 8 48
186 A 186 GLN Q H H X TS+ 0 0 -64.4 -40.5 179.8 46.2 109.1 25.3 182 -1.7 190 -1.2 0 0.0 0 0.0 8 51
187 A 187 VAL V H H < TS+ 0 0 -67.2 -42.1 179.7 49.3 113.3 24.5 183 -1.7 0 0.0 0 0.0 0 0.0 11 53
188 A 188 LYS K H H < > TS+ 0 0 -66.2 -36.4 179.6 53.6 107.5 29.4 184 -2.1 191 -1.1 0 0.0 0 0.0 8 41
189 A 189 THR T H H < 3 TS+ 0 0 -68.5 -29.0 -179.5 31.8 121.7 35.5 185 -2.4 0 0.0 0 0.0 0 0.0 6 30
190 A 190 ASN N T h < > TS+ 0 0 -116.5 27.2 -177.4 131.9 82.1 88.4 186 -1.2 193 -2.1 0 0.0 0 0.0 10 32
191 A 191 PHE F T T < TS+ 0 0 -51.5 -35.5 -177.7 45.7 72.4 38.4 188 -1.1 142 -0.5 0 0.0 0 0.0 10 37
192 A 192 ASN N T T 3 TS+ 0 0 -96.0 10.7 -178.9 35.1 117.3 68.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
193 A 193 ARG R S t < TS- 0 0 -150.8 175.2 178.4 -88.3 85.7 154.9 190 -2.1 0 0.0 0 0.0 0 0.0 8 29
194 A 194 ALA A + 0 0 -88.7 147.9 179.2 179.0 43.7 125.8 0 0.0 0 0.0 0 0.0 0 0.0 12 33
195 A 195 PHE F B B C - 140 0 -149.9 155.6 178.5 -118.0 30.0 172.0 140 -2.2 140 -3.0 0 0.0 0 0.0 8 35
196 A 196 ASN N - 0 0 -95.0 127.5 179.7 -113.0 39.5 147.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
197 A 197 PRO P - 0 0 -60.4 128.8 -178.1 -131.2 38.5 115.1 0 0.0 0 0.0 0 0.0 0 0.0 12 53
198 A 198 ASN N h > > T - 0 0 -80.5 167.5 -180.0 -92.7 25.7 104.3 0 0.0 202 -2.1 0 0.0 201 -0.6 10 42
199 A 199 PRO P H H > 3 TS+ 0 0 -48.9 -29.0 179.5 52.8 124.6 41.3 0 0.0 203 -1.7 0 0.0 0 0.0 11 35
200 A 200 LYS K H H > 3 TS+ 0 0 -78.4 -39.8 179.2 47.8 107.1 28.1 0 0.0 204 -2.4 0 0.0 0 0.0 12 46
201 A 201 VAL V H H > < TS+ 0 0 -65.5 -46.4 -179.8 44.7 116.9 12.0 198 -0.6 205 -2.2 0 0.0 0 0.0 11 58
202 A 202 LEU L H H X TS+ 0 0 -64.0 -39.5 179.0 47.5 114.7 29.4 198 -2.1 206 -1.9 0 0.0 0 0.0 10 57
203 A 203 ASN N H H X TS+ 0 0 -67.4 -43.5 178.9 52.8 109.9 26.0 199 -1.7 207 -1.2 0 0.0 0 0.0 10 46
204 A 204 LEU L H H X > TS+ 0 0 -56.6 -43.5 179.5 50.5 109.3 22.2 200 -2.4 208 -0.7 0 0.0 207 -0.6 10 59
205 A 205 GLN Q H H < > TS+ 0 0 -60.2 -45.5 -178.9 46.1 112.8 24.8 201 -2.2 208 -0.6 0 0.0 0 0.0 8 56
206 A 206 GLU E H H < 3 TS+ 0 0 -75.8 -13.2 -178.4 42.0 117.2 54.6 202 -1.9 0 0.0 0 0.0 0 0.0 7 46
207 A 207 THR T H H X < TS+ 0 0 -118.9 10.1 -178.7 109.9 75.9 71.3 203 -1.2 211 -2.8 204 -0.6 0 0.0 9 42
208 A 208 TRP W H H X < TS+ 0 0 -53.1 -41.7 179.7 50.7 80.9 32.5 204 -0.7 212 -2.6 205 -0.6 0 0.0 10 52
209 A 209 GLY G H H > TS+ 0 0 -63.3 -46.4 179.3 44.8 113.1 20.9 0 0.0 213 -2.0 0 0.0 0 0.0 8 39
210 A 210 LYS K H H > TS+ 0 0 -63.6 -44.7 178.1 49.9 114.1 27.3 0 0.0 214 -2.7 0 0.0 0 0.0 7 41
211 A 211 ILE I H H X TS+ 0 0 -59.5 -49.7 -179.5 50.0 110.4 21.0 207 -2.8 215 -2.6 0 0.0 0 0.0 9 61
212 A 212 SER S H H X TS+ 0 0 -58.5 -43.5 178.1 45.6 113.5 27.4 208 -2.6 216 -2.5 0 0.0 0 0.0 12 66
213 A 213 THR T H H X TS+ 0 0 -66.6 -45.5 -179.8 51.0 112.4 21.2 209 -2.0 217 -3.0 0 0.0 0 0.0 10 49
214 A 214 ALA A H H X TS+ 0 0 -60.4 -41.0 179.3 43.5 114.3 27.0 210 -2.7 218 -0.6 0 0.0 0 0.0 11 49
215 A 215 ILE I H H < > TS+ 0 0 -71.6 -44.3 177.8 49.9 113.9 22.8 211 -2.6 218 -0.7 0 0.0 0 0.0 12 56
216 A 216 HIS H H H < 3 TS+ 0 0 -58.8 -43.7 -178.8 41.2 117.7 20.7 212 -2.5 0 0.0 0 0.0 0 0.0 12 48
217 A 217 ASP D H H < 3 TS+ 0 0 -84.0 -4.4 -179.5 121.9 88.8 60.3 213 -3.0 0 0.0 0 0.0 0 0.0 9 42
218 A 218 ALA A h < < T - 0 0 -63.5 141.0 -179.9 -141.9 54.9 107.7 215 -0.7 220 -0.6 214 -0.6 0 0.0 13 39
219 A 219 LYS K B B D > TS- 222 0 -109.5 117.3 -179.5 -21.6 77.7 159.5 222 -2.1 222 -1.7 0 0.0 0 0.0 8 27
220 A 220 ASN N T T 3 TS- 0 0 52.7 37.9 179.8 -47.0 131.0 34.8 218 -0.6 0 0.0 0 0.0 0 0.0 5 25
221 A 221 GLY G T e 3 TS+ 0 0 85.8 4.8 -179.4 125.4 111.1 60.9 0 0.0 242 -2.1 0 0.0 223 -0.6 10 34
222 A 222 VAL V E E CGD< T - 241 219 -104.2 120.3 179.0 -127.7 60.5 151.2 219 -1.7 219 -2.1 0 0.0 0 0.0 9 31
223 A 223 LEU L E E C* - 0 0 -58.5 145.4 -180.0 -117.3 23.9 104.0 240 -1.7 0 0.0 221 -0.6 0 0.0 14 34
224 A 224 PRO P E E C* S- 0 0 -53.1 -40.1 177.8 -8.4 95.2 25.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
225 A 225 LYS K E E C* S- 0 0 -153.2 157.3 179.9 -68.3 98.6 165.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
226 A 226 PRO P E E C* - 0 0 -50.2 132.2 179.8 -144.7 47.3 102.5 0 0.0 228 -0.6 0 0.0 0 0.0 8 29
227 A 227 LEU L E E CG - 239 0 -107.4 121.8 -179.8 -147.8 3.7 157.1 239 -2.5 239 -3.1 0 0.0 229 -0.9 9 38
228 A 228 GLU E E E CG + 238 0 -94.2 101.1 178.5 153.0 33.2 141.1 226 -0.6 0 0.0 0 0.0 0 0.0 8 36
229 A 229 LEU L E E CG - 237 0 -107.6 -168.4 178.4 -119.7 36.1 106.1 237 -3.1 237 -2.9 227 -0.9 0 0.0 11 42
230 A 230 VAL V E E CG - 236 0 -142.1 138.9 -179.9 -135.0 17.1 175.7 0 0.0 0 0.0 0 0.0 0 0.0 13 33
231 A 231 ASP D e > T - 0 0 -83.8 -179.8 -178.2 -85.5 40.1 100.7 235 -2.4 234 -0.7 0 0.0 0 0.0 10 31
232 A 232 ALA A T T 3 TS+ 0 0 -57.6 -30.4 -179.9 54.2 126.5 39.8 0 0.0 0 0.0 0 0.0 0 0.0 9 30
233 A 233 SER S T T 3 TS- 0 0 -76.0 -27.1 179.9 -106.6 120.5 35.1 0 0.0 0 0.0 0 0.0 0 0.0 8 19
234 A 234 GLY G S t < TS+ 0 0 112.4 10.2 -179.5 139.2 73.2 61.8 231 -0.7 0 0.0 0 0.0 0 0.0 9 20
235 A 235 ALA A e - 0 0 -87.7 149.3 178.9 -97.0 61.4 125.1 0 0.0 231 -2.4 0 0.0 0 0.0 7 19
236 A 236 LYS K E E CG - 230 0 -62.1 145.6 -176.9 -162.6 38.1 109.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
237 A 237 TRP W E E CG - 229 0 -141.6 103.7 -179.3 -157.2 6.0 153.8 229 -2.9 229 -3.1 0 0.0 239 -0.7 8 30
238 A 238 ILE I E E CG - 228 0 -85.6 111.8 179.5 -163.0 10.4 137.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
239 A 239 VAL V E E CG + 227 0 -95.7 134.8 -179.5 170.3 17.3 142.2 227 -3.1 227 -2.5 237 -0.7 0 0.0 11 37
240 A 240 LEU L E E C* + 0 0 -116.2 -20.2 -177.5 41.5 61.0 56.1 0 0.0 223 -1.7 0 0.0 0 0.0 10 32
241 A 241 ARG R E E >CG > TS- 222 0 -133.0 158.9 179.2 -120.6 74.9 157.2 0 0.0 244 -1.2 0 0.0 245 -0.7 9 36
242 A 242 VAL V H H > > TS+ 0 0 -60.8 -39.5 179.8 64.6 111.8 24.0 221 -2.1 246 -3.0 0 0.0 245 -1.5 13 46
243 A 243 ASP D H H 4 3 TS+ 0 0 -55.1 -26.3 -179.1 56.0 98.3 45.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
244 A 244 GLU E H H 4 < TS+ 0 0 -81.1 -25.4 -178.9 26.1 119.7 42.6 241 -1.2 0 0.0 0 0.0 0 0.0 8 38
245 A 245 ILE I H H X X TS+ 0 0 -109.9 -27.6 -179.9 82.6 100.0 42.7 242 -1.5 248 -2.0 241 -0.7 249 -0.6 9 54
246 A 246 LYS K G h < > TS+ 0 0 -46.8 -44.6 -179.7 65.5 81.4 34.4 242 -3.0 249 -1.8 0 0.0 0 0.0 9 50
247 A 247 PRO P G G 4 3 TS+ 0 0 -53.8 -26.8 -179.4 45.1 105.4 39.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
248 A 248 ASP D G G 4 < TS+ 0 0 -93.0 -9.3 -176.1 80.3 101.9 56.0 245 -2.0 182 -1.4 0 0.0 0 0.0 9 46
249 A 249 VAL V g < < T + 0 0 -111.2 126.3 178.8 165.7 37.4 152.1 246 -1.8 0 0.0 245 -0.6 0 0.0 12 57
250 A 250 ALA A S S S+ 0 0 -98.5 -40.3 -179.2 27.1 73.2 36.6 179 -2.7 0 0.0 0 0.0 0 0.0 13 59
251 A 251 LEU L - 0 0 -131.7 140.6 178.3 -142.9 66.9 169.6 179 -2.3 0 0.0 0 0.0 0 0.0 13 64
252 A 252 LEU L B B a - 39 0 -99.8 144.6 177.6 -114.6 25.9 136.0 38 -2.5 40 -2.8 0 0.0 0 0.0 13 67
253 A 253 ASN N - 0 0 -70.3 150.5 179.8 -84.5 51.6 115.9 0 0.0 0 0.0 0 0.0 0 0.0 12 55
254 A 254 TYR Y - 0 0 -59.7 128.6 178.1 -179.2 53.9 113.1 69 -1.2 0 0.0 0 0.0 0 0.0 11 49
255 A 255 VAL V - 0 0 -134.2 119.2 -178.4 -120.4 25.1 166.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
256 A 256 GLY G + 0 0 -60.4 150.7 178.8 27.6 68.0 98.3 0 0.0 0 0.0 0 0.0 0 0.0 5 33
257 A 257 GLY G S S S- 0 0 94.2 175.6 179.6 -45.7 93.1 102.1 0 0.0 0 0.0 0 0.0 0 0.0 4 27
258 A 258 SER S + 0 0 -84.1 156.8 -179.9 172.3 51.8 118.3 0 0.0 0 0.0 0 0.0 0 0.0 5 32
259 A 259 CYS C - 0 0 -152.1 169.0 179.1 -75.6 48.7 158.0 0 0.0 261 -1.0 0 0.0 0 0.0 8 35
260 A 260 GLN Q - 0 0 -77.0 107.5 -177.4 -159.8 44.0 130.7 0 0.0 35 -2.9 0 0.0 0 0.0 10 34
261 A 261 THR T 0 0 -59.9 -33.0 -179.3 999.9 999.9 39.9 259 -1.0 36 -2.6 0 0.0 0 0.0 9 36
262 A 262 THR T 0 0 -142.9 999.9 999.9 999.9 999.9 148.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
1qciA.pdb
1QCI ANTIVIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEESSS HHHHHHHHHHHHHHHS SS EETTEEB TTSS EEEEEEE TTS EEEEEEETTT EEEEEEEETTTEEEEEEBTT THHHHH Kabs/Sand
chirality ---+-++++--+++++++++++++++--+++---+------++-+-+--------+-++-------+--+-----------+-------++---+++++ chirality
bends SSS SSSSSSSSSSSSSSSS SS SSS SSSS SSS SSS SSS SS SSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTTT TTTTT TTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33<>>><<< 3-turns
bridge-2 CCCCCCC DDDD EEEEEE fff bridge-2
bridge-1 aaaaa BB BBa aaaaa CCCCCCC D*DDD EEEEEEb bridge-1
sheets AAAAA BB BB AAAAAAA AAAAAAA AAAAAAAA AAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >444< >444< >>>>XX 4-turns
summary eEEEEEeSS hHHHHHHHHHHHHHHHh SSeEETTEEe tTTtS eEEEEEEEeTTteEEEEEEEeTTteEEEEEEEETTTEEEEEEeTTtthHHHHH summary
sequence VNTIIYNVGSTTISKYATFLNDLRNEAKDPSLKCYGIPMLPNTNTNPKYVLVELQGSNKKTITLMLRRNNLYVMGYSDPFETNKCRYHIFNDISGTERQD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHH TTTEEE B S S HHHHHHHHT S GGGS B HHHHHHHHHHHTT S HHHHHHHHHHHHHHHHHHHH HHHHHHHHHTTTS B HH Kabs/Sand
chirality +++++++-+++--+---+--+-+++++++-+-+-+++--+-+++++++++++-+-++--++++++++++++++++++++-++++++++++++-+----++ chirality
bends SSSSS SSS S S SSSSSSSSS S SSSS SSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SS bends
turns TTTTTT TTTTT TTTTTTTTTTT TTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >>>55<<< 5-turns
3-turns >33< >33< >>3<< >33X33< >3><3< >33 3-turns
bridge-2 bridge-2
bridge-1 fff b C C bridge-1
sheets AAA sheets
4-turns XX<<<< >444< >>>>XX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXX<4<>>XXX<<<< >>> 4-turns
summary HHHHHh tTTeEEEe B S ShHHHHHHHHhtSgGGGg BhHHHHHHHHHHHhTtS hHHHHHHHHHHHHHHHHHHHHhHHHHHHHHHhTTt B hHH summary
sequence VETTLCPNANSRVSKNINFDSRYPTLESKAGVKSRSQVQLGIQILDSNIGKISGVMSFTEKTEAEFLLVAIQMVSEAARFKYIENQVKTNFNRAFNPNPK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHHH BTTEEEEEEEEE TTS EEEEEEHHHHGGG S B S Kabs/Sand
chirality +++++++++++++++++---+------+---+-+----++-+++++++++-----+-+-- chirality
bends SSSSSSSSSSSSSSSSS SSS SS SSS SSSSSSSS S S bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTT turns
5-turns 5-turns
3-turns < >>3<< >33<>33< >33< >>33<< 3-turns
bridge-2 D bridge-2
bridge-1 D G****GGGG GGGG*G a bridge-1
sheets CCCCCCCCC CCCCCC sheets
4-turns >XXX<>XXXX<<<< >>44X<44< 4-turns
summary HHHHHHHHHHHHHHHHHhBTeEEEEEEEEEeTTteEEEEEEHHHHhGGgS B S summary
sequence VLNLQETWGKISTAIHDAKNGVLPKPLELVDASGAKWIVLRVDEIKPDVALLNYVGGSCQTT sequence
210 220 230 240 250 260