Secondary structure calculation program - copyright by David Keith Smith, 1989
1dqzA.pdb
1DQZ IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 280
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 3 ARG R 0 0 999.9 144.0 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 6
2 A 4 PRO P - 0 0 -66.9 -168.4 179.2 -109.4 999.9 74.2 0 0.0 0 0.0 0 0.0 0 0.0 4 10
3 A 5 GLY G S S S+ 0 0 -98.9 -118.2 179.1 15.6 89.5 61.9 0 0.0 0 0.0 0 0.0 0 0.0 4 16
4 A 6 LEU L S S S- 0 0 -57.5 129.5 -178.6 -129.1 80.2 110.2 0 0.0 6 -2.2 0 0.0 0 0.0 7 28
5 A 7 PRO P e + 0 0 -82.7 58.4 178.2 166.9 42.1 106.1 0 0.0 26 -0.6 0 0.0 0 0.0 7 31
6 A 8 VAL V E E AA - 25 0 -75.0 128.8 179.3 -171.8 13.2 127.8 4 -2.2 0 0.0 0 0.0 0 0.0 9 39
7 A 9 GLU E E E AA - 24 0 -116.5 161.4 177.2 -144.8 22.9 143.0 24 -3.5 24 -2.4 0 0.0 0 0.0 7 35
8 A 10 TYR Y E E AA - 23 0 -129.8 111.1 -173.7 -168.4 30.7 164.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
9 A 11 LEU L E E AA - 22 0 -108.9 154.5 177.3 -144.9 24.7 133.4 22 -3.2 22 -2.3 0 0.0 11 -0.6 8 38
10 A 12 GLN Q E E AA - 21 0 -115.7 110.3 -178.3 -172.4 23.1 164.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
11 A 13 VAL V E E AA - 20 0 -109.7 117.4 -179.7 -126.7 21.8 154.4 20 -2.9 20 -3.1 9 -0.6 0 0.0 10 42
12 A 14 PRO P E E AA - 19 0 -63.1 138.4 176.9 -160.4 17.9 110.3 0 0.0 14 -0.6 0 0.0 0 0.0 9 35
13 A 15 SER S E E >AA >T - 18 0 -119.1 106.7 177.5 -174.0 10.1 160.6 18 -2.3 18 -1.4 0 0.0 17 -1.0 12 36
14 A 16 ALA A T T 4 5TS+ 0 0 -63.5 -41.3 -178.6 54.6 87.6 23.0 12 -0.6 0 0.0 0 0.0 0 0.0 7 28
15 A 17 SER S T T 4 5TS+ 0 0 -64.4 -30.9 178.6 33.8 117.5 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 33
16 A 18 MET M T T 4 5TS- 0 0 -104.8 1.4 177.7 -127.6 103.5 64.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
17 A 19 GLY G T T < 5TS+ 0 0 59.8 38.8 -178.7 71.8 76.2 33.5 13 -1.0 0 0.0 0 0.0 0 0.0 8 26
18 A 20 ARG R E E AA T - 0 0 -89.5 -170.9 -175.9 -78.2 47.5 98.7 0 0.0 40 -1.5 0 0.0 0 0.0 13 63
38 A 40 LEU L T T 3 TS+ 0 0 -61.3 -33.4 -177.6 54.4 126.8 35.3 0 0.0 72 -2.0 0 0.0 0 0.0 13 58
39 A 41 ARG R T T 3 TS+ 0 0 -92.6 27.9 -179.4 167.1 77.2 85.8 0 0.0 0 0.0 0 0.0 0 0.0 8 45
40 A 42 ALA A t < T - 0 0 -45.7 128.2 -179.6 -141.0 26.0 95.6 37 -1.5 0 0.0 0 0.0 0 0.0 13 50
41 A 43 GLN Q - 0 0 -91.7 165.1 -179.4 -126.2 12.5 118.1 44 -0.6 69 -1.1 0 0.0 0 0.0 11 36
42 A 44 ASP D S S S+ 0 0 -89.6 -5.1 179.4 49.4 102.9 57.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
43 A 45 ASP D S S S+ 0 0 -96.5 -49.7 -178.2 1.4 119.3 27.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
44 A 46 TYR Y S S S- 0 0 -143.6 149.9 178.1 -106.7 72.2 168.6 0 0.0 41 -0.6 0 0.0 0 0.0 10 39
45 A 47 ASN N h > > T - 0 0 -74.4 143.8 -177.2 -118.1 34.2 118.0 0 0.0 49 -1.7 0 0.0 48 -1.2 16 53
46 A 48 GLY G H H > 3 TS+ 0 0 -57.6 -28.8 177.7 64.6 110.6 44.5 0 0.0 50 -2.4 0 0.0 0 0.0 11 50
47 A 49 TRP W H H > 3 TS+ 0 0 -64.3 -36.9 -179.2 41.5 107.8 27.3 0 0.0 51 -1.5 0 0.0 53 -0.6 11 56
48 A 50 ASP D H H 4 < TS+ 0 0 -81.4 -27.6 178.3 50.8 115.8 34.6 45 -1.2 0 0.0 0 0.0 0 0.0 10 49
49 A 51 ILE I H H < TS+ 0 0 -71.3 -38.5 -171.6 23.2 125.3 23.2 45 -1.7 0 0.0 0 0.0 0 0.0 7 35
50 A 52 ASN N H H < TS+ 0 0 -111.1 -4.1 -175.5 39.1 117.9 61.5 46 -2.4 0 0.0 0 0.0 0 0.0 8 37
51 A 53 THR T S h < TS- 0 0 -145.1 167.0 178.5 -116.5 70.3 159.2 47 -1.5 0 0.0 0 0.0 0 0.0 10 37
52 A 54 PRO P h > T + 0 0 -92.5 35.1 -177.0 137.1 63.2 92.8 0 0.0 56 -2.9 0 0.0 0 0.0 9 37
53 A 55 ALA A H H > T + 0 0 -52.6 -44.8 -179.9 48.4 68.0 30.8 47 -0.6 57 -1.7 0 0.0 0 0.0 10 52
54 A 56 PHE F H H > TS+ 0 0 -62.8 -44.5 -179.2 45.7 114.8 19.4 0 0.0 58 -0.8 0 0.0 0 0.0 10 48
55 A 57 GLU E H H 4 > TS+ 0 0 -62.8 -39.2 -178.5 53.8 111.5 26.9 0 0.0 58 -0.6 0 0.0 0 0.0 7 37
56 A 58 GLU E H H < 3 TS+ 0 0 -66.8 -31.4 -179.2 37.1 116.1 34.2 52 -2.9 0 0.0 0 0.0 0 0.0 7 43
57 A 59 TYR Y H H < > TS+ 0 0 -102.9 0.9 176.3 123.2 83.8 66.3 53 -1.7 60 -1.7 0 0.0 0 0.0 11 50
58 A 60 TYR Y T h < < TS+ 0 0 -61.6 131.8 179.1 7.7 86.9 119.8 54 -0.8 0 0.0 55 -0.6 0 0.0 11 38
59 A 61 GLN Q T T 3 TS+ 0 0 66.6 24.0 179.5 125.4 91.0 48.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
60 A 62 SER S S t < TS- 0 0 -85.2 -8.9 -175.7 -111.7 84.6 54.6 57 -1.7 0 0.0 0 0.0 0 0.0 7 39
61 A 63 GLY G S S S+ 0 0 87.6 2.0 178.8 100.0 90.4 62.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
62 A 64 LEU L S S S- 0 0 -122.7 143.0 172.9 -131.0 70.2 162.2 0 0.0 0 0.0 0 0.0 0 0.0 15 54
63 A 65 SER S E E A c - 0 31 -81.8 156.8 180.0 -139.1 22.1 122.3 30 -2.6 32 -2.6 0 0.0 0 0.0 15 54
64 A 66 VAL V E E ABc - 25 32 -123.4 128.5 -179.7 -170.3 15.9 169.6 25 -2.3 25 -2.3 0 0.0 0 0.0 14 67
65 A 67 ILE I E E ABc - 24 33 -121.5 122.8 178.2 -178.5 6.0 168.4 32 -2.7 34 -3.1 0 0.0 0 0.0 12 73
66 A 68 MET M E E AB - 23 0 -121.6 96.4 179.2 -152.4 16.6 151.7 23 -3.1 23 -2.9 0 0.0 0 0.0 13 68
67 A 69 PRO P E E AB - 22 0 -65.3 145.9 179.0 -137.0 16.0 113.9 0 0.0 0 0.0 0 0.0 0 0.0 13 73
68 A 70 VAL V e + 0 0 -109.3 138.1 176.5 8.0 55.6 151.8 21 -2.9 0 0.0 0 0.0 0 0.0 15 55
69 A 71 GLY G + 0 0 100.5 -165.5 179.7 128.6 50.7 120.0 41 -1.1 0 0.0 0 0.0 0 0.0 12 56
70 A 72 GLY G t > T - 0 0 81.1 31.4 176.7 -161.6 41.2 33.2 0 0.0 73 -2.5 0 0.0 0 0.0 12 65
71 A 73 GLN Q T T 3 TS- 0 0 -45.6 131.6 179.0 -5.8 76.8 101.2 0 0.0 0 0.0 0 0.0 0 0.0 11 57
72 A 74 SER S T T 3 TS+ 0 0 54.1 21.0 -175.1 125.5 99.7 49.1 38 -2.0 0 0.0 0 0.0 0 0.0 13 63
73 A 75 SER S t X T - 0 0 -84.4 -18.5 -174.2 -145.3 61.0 45.3 70 -2.5 76 -1.5 0 0.0 0 0.0 10 72
74 A 76 PHE F T T 3 T - 0 0 59.0 17.1 -178.6 -91.4 54.0 53.7 0 0.0 0 0.0 0 0.0 0 0.0 9 78
75 A 77 TYR Y T T 3 TS+ 0 0 45.7 43.1 -176.4 124.1 95.7 32.4 0 0.0 0 0.0 0 0.0 0 0.0 10 76
76 A 78 THR T S t < TS- 0 0 -123.2 171.1 173.6 -98.7 72.5 130.1 73 -1.5 93 -1.8 0 0.0 78 -0.6 12 66
77 A 79 ASP D B B A - 92 0 -93.6 122.8 -178.7 -145.4 43.2 150.9 0 0.0 0 0.0 0 0.0 0 0.0 11 49
78 A 80 TRP W - 0 0 -85.2 157.2 178.7 -130.0 14.5 117.2 91 -2.6 0 0.0 76 -0.6 0 0.0 11 45
79 A 81 TYR Y S S S- 0 0 -73.8 -33.9 -176.3 -15.3 84.6 29.2 174 -1.1 0 0.0 175 -0.9 0 0.0 9 37
80 A 82 GLN Q S S S- 0 0 -159.4 171.3 178.9 -61.5 89.2 161.5 174 -2.0 0 0.0 0 0.0 0 0.0 10 35
81 A 83 PRO P S S S- 0 0 -59.6 147.1 -177.8 -86.6 73.5 110.5 0 0.0 0 0.0 0 0.0 0 0.0 12 37
82 A 84 SER S t >T - 0 0 -62.5 121.6 -178.3 -135.0 44.3 113.9 0 0.0 84 -0.8 0 0.0 87 -0.6 13 41
83 A 85 GLN Q T T 5TS+ 0 0 -85.5 110.5 177.9 26.9 83.4 136.9 0 0.0 0 0.0 0 0.0 0 0.0 10 29
84 A 86 SER S T T 5TS+ 0 0 137.5 -44.7 -177.1 60.9 108.6 103.9 82 -0.8 0 0.0 0 0.0 0 0.0 8 25
85 A 87 ASN N T T 5TS- 0 0 -99.5 12.7 177.7 -112.4 103.3 73.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
86 A 88 GLY G T T 5T + 0 0 72.7 13.2 179.3 175.1 47.5 54.1 0 0.0 0 0.0 0 0.0 0 0.0 7 18
87 A 89 GLN Q t A T + 77 0 -137.6 57.4 -178.3 146.5 19.7 118.5 0 0.0 96 -2.3 0 0.0 0 0.0 12 46
93 A 95 TRP W H H > T + 0 0 -71.0 -28.1 176.2 54.5 68.8 38.6 76 -1.8 97 -2.7 0 0.0 0 0.0 11 64
94 A 96 GLU E H H > TS+ 0 0 -69.2 -43.2 176.3 47.2 110.8 22.0 0 0.0 98 -2.1 0 0.0 0 0.0 10 56
95 A 97 THR T H H > >TS+ 0 0 -61.1 -41.2 177.4 48.8 114.5 24.8 0 0.0 100 -1.7 0 0.0 99 -1.6 11 43
96 A 98 PHE F H H < >TS+ 0 0 -63.9 -48.2 -176.2 42.5 114.6 16.9 92 -2.3 101 -3.0 0 0.0 0 0.0 11 51
97 A 99 LEU L H H < 5TS+ 0 0 -71.4 -25.5 -175.1 36.7 123.0 36.5 93 -2.7 0 0.0 0 0.0 0 0.0 9 72
98 A 100 THR T H H < 5TS+ 0 0 -102.8 -15.1 -178.0 7.8 135.1 51.7 94 -2.1 0 0.0 0 0.0 0 0.0 10 55
99 A 101 ARG R T h X 5TS+ 0 0 -130.3 -62.2 -175.8 40.7 125.0 52.7 95 -1.6 103 -1.8 0 0.0 0 0.0 8 40
100 A 102 GLU E H H > TS+ 0 0 -62.6 -33.8 -179.9 51.9 111.8 27.4 0 0.0 106 -1.8 0 0.0 0 0.0 12 53
103 A 105 ALA A H H X TS+ 0 0 -65.4 -45.7 179.5 45.0 113.0 17.8 99 -1.8 107 -2.3 0 0.0 0 0.0 9 35
104 A 106 TRP W H H X TS+ 0 0 -64.7 -41.6 -179.1 49.3 113.1 24.4 100 -2.2 108 -2.7 0 0.0 0 0.0 10 37
105 A 107 LEU L H H X TS+ 0 0 -68.9 -28.0 -179.6 51.7 110.3 35.6 101 -2.8 109 -2.0 0 0.0 111 -1.8 12 49
106 A 108 GLN Q H H X TS+ 0 0 -71.8 -46.0 -179.1 40.5 115.9 18.8 102 -1.8 110 -0.9 0 0.0 0 0.0 11 35
107 A 109 ALA A H H < TS+ 0 0 -69.9 -35.2 -175.2 27.5 129.7 31.5 103 -2.3 0 0.0 0 0.0 0 0.0 8 22
108 A 110 ASN N H H < TS+ 0 0 -106.1 -17.5 -176.4 23.1 132.3 48.8 104 -2.7 0 0.0 0 0.0 0 0.0 6 29
109 A 111 LYS K H H < TS- 0 0 -133.9 5.7 178.9 -113.5 95.5 70.8 105 -2.0 0 0.0 0 0.0 0 0.0 8 35
110 A 112 GLY G h < T + 0 0 66.5 27.8 179.9 150.2 62.0 36.7 106 -0.9 0 0.0 0 0.0 0 0.0 8 28
111 A 113 VAL V - 0 0 -96.3 132.0 179.3 -119.8 48.2 145.5 105 -1.8 0 0.0 0 0.0 0 0.0 13 44
112 A 114 SER S - 0 0 -68.8 134.8 179.0 -144.9 7.6 117.7 29 -3.2 0 0.0 0 0.0 0 0.0 12 43
113 A 115 PRO P S S S+ 0 0 -72.1 -12.7 -179.1 58.7 85.2 50.8 0 0.0 0 0.0 0 0.0 0 0.0 10 44
114 A 116 THR T S S S+ 0 0 -119.0 155.5 176.5 34.8 90.0 144.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
115 A 117 GLY G S S S+ 0 0 77.6 39.1 -178.4 135.7 80.4 31.0 137 -2.5 0 0.0 0 0.0 0 0.0 13 52
116 A 118 ASN N e - 0 0 -111.4 177.2 178.2 -118.0 50.2 116.7 138 -2.7 141 -1.1 0 0.0 0 0.0 15 64
117 A 119 ALA A E E Ade - 32 141 -119.8 137.1 175.4 -154.3 11.9 165.4 31 -2.5 33 -3.4 0 0.0 119 -0.5 15 72
118 A 120 ALA A E E Ade - 33 142 -107.0 122.2 -178.2 -175.8 16.6 163.7 141 -2.0 143 -2.7 0 0.0 0 0.0 16 77
119 A 121 VAL V E E Ade + 34 143 -124.1 116.9 -179.1 169.1 9.3 167.7 33 -3.0 35 -2.9 117 -0.5 0 0.0 15 79
120 A 122 GLY G E E A e - 0 144 -126.9 163.4 179.2 -157.8 17.6 151.0 143 -2.6 145 -2.5 0 0.0 0 0.0 18 76
121 A 123 LEU L E E A e> T - 0 145 -139.8 149.8 -180.0 -24.1 61.2 167.5 0 0.0 124 -2.1 0 0.0 0 0.0 15 74
122 A 124 SER S T h > > TS+ 0 0 50.4 -124.3 178.8 13.7 139.8 105.8 145 -2.5 125 -2.1 0 0.0 126 -0.7 14 75
123 A 125 MET M H H > 3 TS+ 0 0 -42.7 -48.1 -175.1 45.7 137.3 29.1 0 0.0 127 -0.8 0 0.0 0 0.0 14 74
124 A 126 SER S H H > < TS+ 0 0 -85.5 1.2 174.6 83.9 88.0 61.7 121 -2.1 128 -2.4 0 0.0 0 0.0 17 70
125 A 127 GLY G H H > < TS+ 0 0 -61.5 -48.8 177.2 40.6 100.0 15.8 122 -2.1 129 -1.6 0 0.0 0 0.0 17 73
126 A 128 GLY G H H X TS+ 0 0 -63.9 -39.5 177.7 58.6 111.5 24.5 122 -0.7 130 -2.5 0 0.0 0 0.0 16 71
127 A 129 SER S H H X TS+ 0 0 -56.2 -44.0 -179.3 51.9 103.1 27.5 123 -0.8 131 -2.9 0 0.0 0 0.0 13 75
128 A 130 ALA A H H X TS+ 0 0 -62.1 -41.9 -179.7 46.2 111.6 22.0 124 -2.4 132 -2.1 0 0.0 0 0.0 15 75
129 A 131 LEU L H H X TS+ 0 0 -68.0 -39.2 179.3 49.4 113.2 28.6 125 -1.6 133 -2.4 0 0.0 0 0.0 15 77
130 A 132 ILE I H H X TS+ 0 0 -66.4 -43.0 176.2 52.8 108.7 24.0 126 -2.5 134 -2.2 0 0.0 0 0.0 12 70
131 A 133 LEU L H H X TS+ 0 0 -58.0 -43.4 179.4 43.5 113.4 20.0 127 -2.9 135 -2.1 0 0.0 0 0.0 12 70
132 A 134 ALA A H H < TS+ 0 0 -69.8 -34.2 -179.7 57.6 110.0 27.5 128 -2.1 0 0.0 0 0.0 0 0.0 16 64
133 A 135 ALA A H H < TS+ 0 0 -61.3 -41.8 -177.4 27.3 120.4 24.9 129 -2.4 0 0.0 0 0.0 0 0.0 13 56
134 A 136 TYR Y H H < TS+ 0 0 -96.6 -17.0 -178.3 37.3 130.5 49.7 130 -2.2 0 0.0 0 0.0 0 0.0 7 50
135 A 137 TYR Y h X T + 0 0 -133.4 63.4 -178.4 159.0 65.6 121.8 131 -2.1 139 -2.3 0 0.0 0 0.0 9 50
136 A 138 PRO P T T 4 TS+ 0 0 -61.8 -27.0 178.9 55.0 72.3 38.7 0 0.0 0 0.0 0 0.0 0 0.0 11 44
137 A 139 GLN Q T T 4 TS+ 0 0 -76.0 -30.4 178.1 44.4 111.7 31.1 0 0.0 115 -2.5 0 0.0 0 0.0 7 38
138 A 140 GLN Q T T 4 TS+ 0 0 -77.2 -37.0 -177.6 29.4 127.4 26.6 0 0.0 116 -2.7 0 0.0 0 0.0 12 52
139 A 141 PHE F t < T + 0 0 -129.1 83.4 178.0 158.7 54.2 136.4 135 -2.3 0 0.0 0 0.0 0 0.0 15 61
140 A 142 PRO P S e S+ 0 0 -76.2 -3.9 -179.2 50.7 78.7 58.9 0 0.0 202 -2.7 0 0.0 0 0.0 14 52
141 A 143 TYR Y E E Aef + 117 202 -135.3 133.5 176.8 171.6 65.8 177.0 116 -1.1 118 -2.0 0 0.0 0 0.0 16 64
142 A 144 ALA A E E Aef - 118 203 -143.6 136.2 177.4 -164.6 11.3 171.4 202 -2.3 204 -2.2 0 0.0 0 0.0 15 72
143 A 145 ALA A E E Aef - 119 204 -122.1 137.5 175.9 -166.0 2.3 168.5 118 -2.7 120 -2.6 0 0.0 145 -0.5 15 73
144 A 146 SER S E E Aef - 120 205 -120.2 114.6 -178.4 -167.5 6.2 168.2 204 -2.5 206 -2.6 0 0.0 146 -0.7 18 80
145 A 147 LEU L E E Aef S- 121 206 -108.1 109.2 179.7 -24.9 76.0 153.9 120 -2.5 122 -2.5 143 -0.5 0 0.0 14 74
146 A 148 SER S S e S+ 0 0 58.6 42.2 180.0 169.7 96.2 26.9 206 -3.0 0 0.0 144 -0.7 0 0.0 16 71
147 A 149 GLY G - 0 0 -81.6 171.0 179.2 -116.5 44.8 105.8 0 0.0 149 -0.8 0 0.0 0 0.0 15 74
148 A 150 PHE F - 0 0 -108.6 97.1 -166.8 -179.8 39.2 151.2 0 0.0 0 0.0 0 0.0 0 0.0 12 68
149 A 151 LEU L + 0 0 -93.0 5.5 177.5 41.7 66.5 69.2 147 -0.8 190 -1.9 0 0.0 0 0.0 12 66
150 A 152 ASN N t > T + 0 0 -142.1 59.9 -178.1 159.5 64.3 113.4 0 0.0 153 -1.9 0 0.0 0 0.0 11 54
151 A 153 PRO P T T 3 TS+ 0 0 -59.7 -22.0 -178.3 54.8 71.7 44.5 0 0.0 0 0.0 0 0.0 0 0.0 13 62
152 A 154 SER S T T 3 TS+ 0 0 -88.9 -6.4 -174.9 96.3 93.3 55.5 0 0.0 0 0.0 0 0.0 0 0.0 10 43
153 A 155 GLU E S t X TS- 0 0 -92.2 148.9 175.7 -46.0 89.5 125.0 150 -1.9 156 -2.1 0 0.0 0 0.0 7 37
154 A 156 SER S T T 3 TS- 0 0 41.9 -123.4 -179.3 -7.8 121.8 94.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
155 A 157 TRP W T h > > TS+ 0 0 -81.1 -7.1 -175.6 96.9 110.2 58.0 0 0.0 159 -2.5 0 0.0 158 -0.5 6 26
156 A 158 TRP W H H > < TS+ 0 0 -57.5 -41.4 180.0 51.6 77.9 29.2 153 -2.1 160 -3.1 0 0.0 0 0.0 10 43
157 A 159 PRO P H H > 3 TS+ 0 0 -62.0 -35.5 179.3 47.4 114.1 25.2 0 0.0 161 -2.1 0 0.0 0 0.0 11 44
158 A 160 THR T H H > < TS+ 0 0 -66.9 -47.5 -179.3 45.7 113.7 18.7 155 -0.5 162 -2.2 0 0.0 0 0.0 7 30
159 A 161 LEU L H H X TS+ 0 0 -64.5 -41.0 178.0 49.1 113.7 26.2 155 -2.5 163 -2.5 0 0.0 0 0.0 8 38
160 A 162 ILE I H H X TS+ 0 0 -63.3 -42.3 179.3 53.6 109.0 22.5 156 -3.1 164 -2.7 0 0.0 0 0.0 10 53
161 A 163 GLY G H H X TS+ 0 0 -58.5 -42.6 178.1 47.3 110.4 23.7 157 -2.1 165 -1.9 0 0.0 0 0.0 11 44
162 A 164 LEU L H H X TS+ 0 0 -62.5 -47.5 -178.0 49.8 111.6 18.1 158 -2.2 166 -2.5 0 0.0 0 0.0 8 34
163 A 165 ALA A H H X TS+ 0 0 -60.7 -40.9 179.0 50.7 110.1 26.5 159 -2.5 167 -2.1 0 0.0 0 0.0 8 39
164 A 166 MET M H H < TS+ 0 0 -65.5 -38.8 178.3 48.3 111.0 27.5 160 -2.7 170 -1.9 0 0.0 0 0.0 14 46
165 A 167 ASN N H H X TS+ 0 0 -67.5 -34.8 -180.0 51.7 111.3 25.9 161 -1.9 169 -1.6 0 0.0 0 0.0 11 34
166 A 168 ASP D H H < TS+ 0 0 -66.8 -36.5 -177.5 58.5 105.3 30.0 162 -2.5 168 -1.1 0 0.0 0 0.0 8 26
167 A 169 SER S T h < TS- 0 0 -98.6 79.6 177.3 -31.4 140.0 133.2 163 -2.1 0 0.0 0 0.0 0 0.0 11 32
168 A 170 GLY G T T 4 TS- 0 0 92.8 3.5 177.5 -85.0 96.7 58.2 166 -1.1 0 0.0 0 0.0 0 0.0 9 35
169 A 171 GLY G S t < TS+ 0 0 69.0 27.9 178.0 166.3 72.4 39.4 165 -1.6 0 0.0 0 0.0 0 0.0 9 32
170 A 172 TYR Y - 0 0 -76.8 153.6 -175.0 -131.5 31.3 114.5 164 -1.9 172 -0.6 0 0.0 0 0.0 13 47
171 A 173 ASN N h > > T - 0 0 -114.8 111.2 179.9 -159.4 8.4 155.7 0 0.0 174 -1.2 0 0.0 175 -0.8 12 45
172 A 174 ALA A H H > 3>TS+ 0 0 -56.3 -28.3 179.7 64.8 93.5 37.5 170 -0.6 176 -2.1 0 0.0 177 -0.6 13 54
173 A 175 ASN N H H > 35TS+ 0 0 -64.8 -33.9 179.4 50.3 100.4 28.5 0 0.0 177 -1.2 0 0.0 0 0.0 8 44
174 A 176 SER S H H 4 <5TS+ 0 0 -73.1 -21.5 -177.9 47.8 114.0 45.3 171 -1.2 80 -2.0 0 0.0 79 -1.1 12 45
175 A 177 MET M H H < 5TS- 0 0 -83.0 -64.4 -177.7 -5.7 137.7 14.9 171 -0.8 79 -0.9 0 0.0 0 0.0 13 58
176 A 178 TRP W H H < 5TS- 0 0 -119.7 11.7 -178.3 -121.2 96.4 78.1 172 -2.1 0 0.0 0 0.0 0 0.0 13 45
177 A 179 GLY G h < TS- 0 0 -65.0 164.7 -176.2 -96.6 80.5 109.4 0 0.0 181 -2.4 0 0.0 0 0.0 7 33
179 A 181 SER S T T 3 TS+ 0 0 -62.5 -13.6 178.9 62.9 124.2 51.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
180 A 182 SER S T T 3 TS+ 0 0 -84.6 -11.4 -178.8 108.7 79.7 54.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
181 A 183 ASP D S h > X TS- 0 0 -67.0 141.7 179.8 -122.9 80.0 112.4 178 -2.4 184 -1.6 0 0.0 185 -0.6 9 24
182 A 184 PRO P H H > 3 TS+ 0 0 -56.7 -25.9 -179.2 75.9 104.4 41.1 0 0.0 186 -2.5 0 0.0 0 0.0 7 28
183 A 185 ALA A H H > 3 TS+ 0 0 -60.1 -28.1 178.8 60.4 87.6 36.0 0 0.0 187 -1.8 0 0.0 0 0.0 8 40
184 A 186 TRP W H H 4 < TS+ 0 0 -65.8 -47.9 178.4 36.3 111.5 14.9 181 -1.6 0 0.0 0 0.0 0 0.0 13 45
185 A 187 LYS K H H < > TS+ 0 0 -72.3 -31.5 179.5 60.8 112.0 29.7 181 -0.6 188 -1.5 0 0.0 0 0.0 11 41
186 A 188 ARG R H H < 3 TS+ 0 0 -58.5 -37.9 -177.3 39.5 112.4 25.4 182 -2.5 0 0.0 0 0.0 0 0.0 8 44
187 A 189 ASN N T h < 3 TS+ 0 0 -99.8 19.3 -179.2 108.7 90.0 81.7 183 -1.8 0 0.0 0 0.0 0 0.0 11 56
188 A 190 ASP D t > < T - 0 0 -100.9 114.3 -179.3 -155.6 56.2 147.7 185 -1.5 192 -2.2 0 0.0 0 0.0 14 56
189 A 191 PRO P T T 4 TS+ 0 0 -55.6 -41.8 178.9 53.8 94.6 28.2 0 0.0 0 0.0 0 0.0 0 0.0 12 71
190 A 192 MET M T T 4 > TS+ 0 0 -57.7 -45.8 -179.6 46.3 111.2 21.3 149 -1.9 193 -1.2 0 0.0 0 0.0 9 56
191 A 193 VAL V T T 4 3 TS+ 0 0 -66.4 -33.1 -178.8 49.7 113.7 31.2 0 0.0 0 0.0 0 0.0 0 0.0 10 45
192 A 194 GLN Q T h X > TS+ 0 0 -91.7 10.3 176.8 110.5 73.1 72.8 188 -2.2 196 -1.6 0 0.0 195 -1.3 13 50
193 A 195 ILE I H H > < TS+ 0 0 -50.3 -39.9 -179.7 63.3 71.7 26.6 190 -1.2 197 -2.7 0 0.0 0 0.0 13 56
194 A 196 PRO P H H > 3 TS+ 0 0 -56.7 -32.3 178.2 49.3 102.8 31.1 0 0.0 198 -2.7 0 0.0 0 0.0 8 41
195 A 197 ARG R H H > < TS+ 0 0 -70.2 -43.8 178.9 49.8 109.8 22.4 192 -1.3 199 -2.3 0 0.0 0 0.0 9 44
196 A 198 LEU L H H X >TS+ 0 0 -61.4 -36.0 178.9 46.8 114.5 27.2 192 -1.6 201 -1.6 0 0.0 200 -0.6 13 55
197 A 199 VAL V H H < >5TS+ 0 0 -70.1 -46.2 -179.2 50.0 110.9 18.9 193 -2.7 200 -0.8 0 0.0 0 0.0 13 42
198 A 200 ALA A H H < 35TS+ 0 0 -62.4 -36.2 180.0 42.9 115.9 32.3 194 -2.7 0 0.0 0 0.0 0 0.0 7 34
199 A 201 ASN N H H < 35TS- 0 0 -86.0 -8.0 -178.4 -135.2 101.7 55.2 195 -2.3 0 0.0 0 0.0 0 0.0 8 34
200 A 202 ASN N T h < <5T - 0 0 54.2 38.8 177.0 -173.4 34.4 32.7 197 -0.8 0 0.0 196 -0.6 0 0.0 10 40
201 A 203 THR T t T - 0 0 -113.9 -168.0 178.3 -68.9 51.9 115.9 0 0.0 216 -1.8 0 0.0 0 0.0 7 29
214 A 216 ASP D T T 3 TS+ 0 0 -58.1 -22.1 -178.5 78.5 122.6 44.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
215 A 217 LEU L T T 3 TS- 0 0 -64.3 -20.4 177.8 -139.6 95.5 43.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
216 A 218 GLY G t < T + 0 0 106.4 -150.2 -178.9 137.7 60.3 138.6 213 -1.8 0 0.0 0 0.0 0 0.0 7 29
217 A 219 GLY G + 0 0 64.5 37.0 -177.6 162.7 33.1 31.7 0 0.0 219 -1.4 0 0.0 0 0.0 12 33
218 A 220 ASP D + 0 0 -94.5 82.4 177.2 114.7 23.6 130.6 0 0.0 0 0.0 0 0.0 0 0.0 8 27
219 A 221 ASN N S h > TS- 0 0 -143.5 153.2 -175.6 -111.0 72.8 166.2 217 -1.4 223 -2.2 0 0.0 0 0.0 6 26
220 A 222 ILE I H H > TS+ 0 0 -56.8 -47.9 -179.9 50.0 113.3 23.8 0 0.0 224 -3.1 0 0.0 0 0.0 6 20
221 A 223 PRO P H H > TS+ 0 0 -59.3 -42.0 -179.6 47.8 112.4 21.1 0 0.0 225 -2.8 0 0.0 0 0.0 7 28
222 A 224 ALA A H H > TS+ 0 0 -64.8 -36.8 178.2 44.9 115.5 28.9 0 0.0 258 -2.4 0 0.0 226 -1.3 13 41
223 A 225 LYS K H H X TS+ 0 0 -70.5 -44.0 -177.4 49.0 114.7 22.8 219 -2.2 227 -2.0 0 0.0 0 0.0 16 36
224 A 226 PHE F H H X TS+ 0 0 -61.7 -49.9 -176.2 48.5 110.5 18.6 220 -3.1 228 -2.6 0 0.0 0 0.0 10 32
225 A 227 LEU L H H X TS+ 0 0 -63.3 -36.1 -179.5 50.2 110.4 30.0 221 -2.8 229 -1.9 0 0.0 0 0.0 11 47
226 A 228 GLU E H H X TS+ 0 0 -69.7 -40.3 178.5 46.0 113.1 22.1 222 -1.3 230 -1.4 0 0.0 0 0.0 16 51
227 A 229 GLY G H H X TS+ 0 0 -68.4 -35.4 -179.2 54.0 111.4 28.0 223 -2.0 231 -0.6 0 0.0 0 0.0 12 40
228 A 230 LEU L H H < TS+ 0 0 -67.1 -37.0 -177.5 38.0 114.7 30.6 224 -2.6 0 0.0 0 0.0 0 0.0 7 44
229 A 231 THR T H H X TS+ 0 0 -93.3 -11.0 179.3 83.0 94.5 51.8 225 -1.9 233 -1.9 0 0.0 0 0.0 12 56
230 A 232 LEU L H H X TS+ 0 0 -57.7 -42.3 -178.9 55.5 87.5 23.3 226 -1.4 234 -2.5 0 0.0 0 0.0 12 47
231 A 233 ARG R H H X TS+ 0 0 -57.4 -43.5 -178.7 48.9 107.6 25.1 227 -0.6 235 -2.3 0 0.0 0 0.0 8 39
232 A 234 THR T H H > TS+ 0 0 -64.7 -38.1 179.3 52.3 110.0 27.4 0 0.0 236 -2.2 0 0.0 0 0.0 10 49
233 A 235 ASN N H H X TS+ 0 0 -65.2 -40.7 178.1 48.8 109.2 26.8 229 -1.9 237 -2.1 0 0.0 0 0.0 15 55
234 A 236 GLN Q H H X TS+ 0 0 -65.5 -40.3 177.7 50.3 110.9 24.8 230 -2.5 238 -2.3 0 0.0 0 0.0 8 40
235 A 237 THR T H H X TS+ 0 0 -62.7 -37.7 179.8 53.9 108.7 29.9 231 -2.3 239 -2.7 0 0.0 0 0.0 8 38
236 A 238 PHE F H H X TS+ 0 0 -64.1 -43.2 178.9 49.1 107.6 20.7 232 -2.2 240 -2.8 0 0.0 0 0.0 10 54
237 A 239 ARG R H H X TS+ 0 0 -59.5 -46.0 -178.5 46.7 113.8 22.8 233 -2.1 241 -2.0 0 0.0 0 0.0 9 49
238 A 240 ASP D H H X TS+ 0 0 -63.4 -44.2 -179.3 46.2 114.2 24.4 234 -2.3 242 -2.3 0 0.0 0 0.0 8 35
239 A 241 THR T H H X TS+ 0 0 -66.0 -40.7 178.6 56.9 108.5 27.5 235 -2.7 243 -2.1 0 0.0 0 0.0 10 33
240 A 242 TYR Y H H < >TS+ 0 0 -56.9 -51.4 178.8 41.7 111.2 18.5 236 -2.8 245 -3.1 0 0.0 0 0.0 11 42
241 A 243 ALA A H H < >5TS+ 0 0 -64.7 -39.7 -179.6 54.8 112.2 23.2 237 -2.0 244 -1.9 0 0.0 0 0.0 9 33
242 A 244 ALA A H H < 35TS+ 0 0 -61.1 -32.9 -179.0 52.4 107.1 30.8 238 -2.3 0 0.0 0 0.0 0 0.0 7 23
243 A 245 ASP D T h < 35TS- 0 0 -86.6 8.6 178.0 -93.8 129.8 71.0 239 -2.1 0 0.0 0 0.0 0 0.0 9 26
244 A 246 GLY G T T <5T + 0 0 92.2 8.2 178.5 161.6 67.6 56.0 241 -1.9 0 0.0 0 0.0 0 0.0 7 26
245 A 247 GLY G t > TS- 0 0 -154.9 159.4 -174.1 -99.5 79.9 173.8 257 -2.2 263 -1.3 0 0.0 262 -1.2 8 57
260 A 262 TRP W H H > 3 TS+ 0 0 -54.1 -37.5 -179.8 64.6 107.5 41.8 0 0.0 264 -2.8 0 0.0 0 0.0 9 57
261 A 263 PRO P H H > 3 TS+ 0 0 -58.7 -35.1 179.8 44.3 107.4 25.2 0 0.0 265 -1.9 0 0.0 0 0.0 11 44
262 A 264 TYR Y H H > < TS+ 0 0 -76.8 -34.7 178.2 51.5 111.7 28.9 259 -1.2 266 -2.1 0 0.0 0 0.0 11 56
263 A 265 TRP W H H X TS+ 0 0 -66.8 -40.0 176.2 48.5 111.5 23.1 259 -1.3 267 -2.1 0 0.0 0 0.0 10 64
264 A 266 ASN N H H X TS+ 0 0 -64.3 -41.1 179.3 56.2 107.0 24.7 260 -2.8 268 -2.3 0 0.0 0 0.0 11 53
265 A 267 GLU E H H X TS+ 0 0 -58.4 -38.1 178.4 45.8 110.2 22.9 261 -1.9 269 -2.4 0 0.0 0 0.0 8 48
266 A 268 GLN Q H H X TS+ 0 0 -72.4 -36.9 177.3 56.5 107.1 28.2 262 -2.1 270 -2.3 0 0.0 0 0.0 10 52
267 A 269 LEU L H H < TS+ 0 0 -58.8 -41.8 178.2 43.7 112.2 23.0 263 -2.1 0 0.0 0 0.0 0 0.0 9 62
268 A 270 VAL V H H < > TS+ 0 0 -67.9 -44.4 -179.1 54.1 111.8 20.1 264 -2.3 271 -1.3 0 0.0 0 0.0 8 42
269 A 271 ALA A H H < 3 TS+ 0 0 -59.6 -34.5 -178.4 46.9 110.0 33.0 265 -2.4 0 0.0 0 0.0 0 0.0 7 36
270 A 272 MET M T h X 3 TS+ 0 0 -87.9 -2.7 -175.0 95.6 83.9 59.0 266 -2.3 274 -2.5 0 0.0 0 0.0 9 49
271 A 273 LYS K H H > < TS+ 0 0 -56.7 -47.8 -178.0 46.3 84.8 24.0 268 -1.3 275 -2.6 0 0.0 0 0.0 9 48
272 A 274 ALA A H H > TS+ 0 0 -63.1 -36.6 179.6 52.1 112.8 24.9 0 0.0 276 -2.7 0 0.0 0 0.0 7 31
273 A 275 ASP D H H > TS+ 0 0 -65.1 -43.9 179.1 46.3 110.8 23.2 0 0.0 277 -2.7 0 0.0 0 0.0 7 41
274 A 276 ILE I H H X TS+ 0 0 -65.4 -39.9 -179.5 51.9 111.7 23.8 270 -2.5 278 -2.9 0 0.0 0 0.0 11 52
275 A 277 GLN Q H H X TS+ 0 0 -62.5 -41.1 179.0 47.5 112.0 22.4 271 -2.6 279 -2.0 0 0.0 0 0.0 12 42
276 A 278 HIS H H H X TS+ 0 0 -64.8 -49.0 -179.2 41.8 116.6 17.1 272 -2.7 280 -1.3 0 0.0 0 0.0 8 32
277 A 279 VAL V H H < TS+ 0 0 -67.4 -43.2 -176.4 31.0 125.2 23.5 273 -2.7 0 0.0 0 0.0 0 0.0 9 40
278 A 280 LEU L H H < TS+ 0 0 -87.7 -31.5 -176.8 23.7 135.1 34.8 274 -2.9 0 0.0 0 0.0 0 0.0 12 46
279 A 281 ASN N H H < T 0 0 -112.8 -6.5 179.7 999.9 999.9 64.0 275 -2.0 0 0.0 0 0.0 0 0.0 8 32
280 A 282 GLY G h < T 0 0 70.9 999.9 999.9 999.9 999.9 42.1 276 -1.3 0 0.0 0 0.0 0 0.0 5 22
1dqzA.pdb
1DQZ IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS EEEEEEEETTTTEEEEEEEE SSSEEEE TT SSS HHHHHS HHHHHTTSSSEEEEE TT TTSB SSS TTTT S BHHHHHHTH Kabs/Sand
chirality -+-+--------++-+--------+--+--------++--++--+++++-++++++++-+------++--+--+-------++-+-+--++++++++++ chirality
bends SS SSSSS SSS SS SSS SSSSSS SSSSSSSSS SS SS SSS SSS S SSSSSSS bends
turns TTTTTT TTTT TTTTTTTTTTTTTTTT TTTTTTT TTTTTT TTTTTTTTT turns
5-turns >5555< >5555< >>555< 5-turns
3-turns >33< >33< >3><3< >33X33< 3-turns
bridge-2 BBBB ddd ccc bridge-2
bridge-1 AAAAAAAA AAAAAAAA ccc BBBB A A bridge-1
sheets AAAAAAAA AAAAAAAA AAAA AAAAA sheets
4-turns >444< >>>4<<<>>>4<<< >>>><< 4-turns
summary SSeEEEEEEEETTTTEEEEEEEEe SSeEEEEe tTTt SSShHHHHHhhHHHHHhTtSSEEEEEe tTTtTTtB SSStTTTTt S hHHHHHHhH summary
sequence RPGLPVEYLQVPSASMGRDIKVQFQGGGPHAVYLLDGLRAQDDYNGWDINTPAFEEYYQSGLSVIMPVGGQSSFYTDWYQPSQSNGQNYTYKWETFLTRE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHH SSS EEEEETHHHHHHHHHHHH TTT SEEEEES TTSTTHHHHHHHHHHHTTS HHHHH STTSHHHHHT TTTTHHHHHHHT Kabs/Sand
chirality ++++++++-+--+++---+--++++++++++++++++++++----+--++++--++++++++++++--+--+++----++-++++++-++++++++++-- chirality
bends SSSSSSSSS SSS SSSSSSSSSSSSS SSS S SS SSSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns < >5555< >5555 5-turns
3-turns >>3<< >33X3><3< >33< >33X33<>33< >3><3< >33< 3-turns
bridge-2 eeeee fffff bridge-2
bridge-1 ddd eeeee bridge-1
sheets AAAAA AAAAA sheets
4-turns >>XXXX<<<< >>>>XXXXXX<<>>>XXXXX>>4<<< >>>4<<<>444X>>>X<<<< 4-turns
summary HHHHHHHHHh SSSeEEEEEhHHHHHHHHHHHHhTTTteEEEEEe tTTtThHHHHHHHHHHHhTt hHHHHHhtTThHHHHHhtTTThHHHHHHHh summary
sequence MPAWLQANKGVSPTGNAAVGLSMSGGSALILAAYYPQQFPYAASLSGFLNPSESWWPTLIGLAMNDSGGYNANSMWGPSSDPAWKRNDPMVQIPRLVANN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEE S TT SHHHHHHHHHHHHHHHHHHHHHHHTT SEEEE S SSHHHHHHHHHHTHHHHHHHHH Kabs/Sand
chirality ----++---+---+-+++-+++++++++++++++++++++++-++++---+--++--+-+++++++++++++++++++ chirality
bends S SS SSSSSSSSSSSSSSSSSSSSSSSSS S S SSSSSSSSSSSSSSSSSSSSS bends
turns T TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns < >5555< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 gggg bridge-2
bridge-1 fffff gggg bridge-1
sheets AAAAA AAAA sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>>>XXXX<<>>XXX<<<< 4-turns
summary tEEEEEe S tTTt hHHHHHHHHHHHHHHHHHHHHHHHhTt eEEEE S ShHHHHHHHHHHhHHHHHHHHHh summary
sequence TRIWVYCGNGTPSDLGGDNIPAKFLEGLTLRTNQTFRDTYAADGGRNGVFNFPPNGTHSWPYWNEQLVAMKADIQHVLNG sequence
210 220 230 240 250 260 270 280