Secondary structure calculation program - copyright by David Keith Smith, 1989
1kcgC.pdb
1KCG IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
Sequence length - 170
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 C 9 ASP D 0 0 999.9 173.2 -179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
2 C 10 ALA A - 0 0 -117.1 146.2 179.7 -166.2 999.9 152.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
3 C 11 HIS H E E AA - 93 0 -129.0 150.3 -179.4 -165.8 6.5 161.0 93 -2.3 93 -2.5 0 0.0 0 0.0 10 40
4 C 12 SER S E E AA - 92 0 -135.1 168.1 179.7 -153.6 15.0 151.8 0 0.0 29 -3.2 0 0.0 0 0.0 12 46
5 C 13 LEU L E E AAB - 91 28 -142.5 122.3 -179.6 -168.4 15.3 168.2 91 -1.9 91 -1.5 0 0.0 0 0.0 14 57
6 C 14 TRP W E E AAB - 90 27 -119.6 128.2 178.3 -172.2 5.7 164.7 27 -2.4 27 -1.8 0 0.0 8 -0.5 12 54
7 C 15 TYR Y E E AAB - 89 26 -120.9 117.5 -178.5 -164.6 6.3 165.9 89 -2.7 89 -2.5 0 0.0 9 -0.8 12 61
8 C 16 ASN N E E AAB - 88 25 -109.1 106.4 -179.6 -167.7 9.5 151.5 25 -3.7 25 -2.3 6 -0.5 0 0.0 11 54
9 C 17 PHE F E E AAB - 87 24 -91.0 149.9 176.5 -165.5 12.3 127.0 87 -3.7 87 -1.7 7 -0.8 0 0.0 13 60
10 C 18 THR T E E AAB - 86 23 -135.9 108.6 -177.8 -177.3 14.1 161.6 23 -2.3 23 -1.6 0 0.0 0 0.0 12 53
11 C 19 ILE I E E AAB - 85 22 -115.0 125.7 -177.7 -160.2 7.0 161.9 85 -3.1 85 -3.2 0 0.0 0 0.0 14 52
12 C 20 ILE I E E AA - 84 0 -114.9 127.8 177.3 -153.8 9.4 154.1 21 -2.3 14 -0.6 0 0.0 0 0.0 13 43
13 C 21 HIS H S e S+ 0 0 -93.0 124.6 179.9 3.5 86.2 146.7 83 -2.6 0 0.0 0 0.0 0 0.0 11 36
14 C 22 LEU L S S S- 0 0 66.3 56.5 179.8 -145.1 86.0 15.8 12 -0.6 0 0.0 0 0.0 0 0.0 7 26
15 C 23 PRO P - 0 0 -51.2 137.6 -177.3 -157.0 9.7 102.1 0 0.0 0 0.0 0 0.0 0 0.0 10 23
16 C 24 ARG R + 0 0 -89.8 -51.7 -178.1 1.9 62.3 24.0 0 0.0 0 0.0 0 0.0 0 0.0 6 14
17 C 25 HIS H S S S- 0 0 -106.2 -110.4 179.1 -34.3 124.6 59.3 0 0.0 0 0.0 0 0.0 0 0.0 4 13
18 C 26 GLY G S S S+ 0 0 -102.4 18.0 179.7 143.1 92.5 83.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
19 C 27 GLN Q - 0 0 -62.1 134.7 178.0 -136.6 48.2 110.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
20 C 28 GLN Q - 0 0 -91.1 133.0 -177.7 -138.2 9.6 141.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
21 C 29 TRP W S e S+ 0 0 -65.6 -24.3 -179.1 49.0 87.4 38.3 0 0.0 12 -2.3 0 0.0 0 0.0 11 45
22 C 30 CYS C E E AB + 11 0 -125.0 124.4 177.7 155.5 59.9 164.3 0 0.0 39 -0.7 0 0.0 0 0.0 12 53
23 C 31 GLU E E E AB - 10 0 -141.7 140.6 -179.6 -174.2 13.0 175.8 10 -1.6 10 -2.3 0 0.0 0 0.0 13 50
24 C 32 VAL V E E ABC - 9 36 -142.5 128.0 177.1 -168.3 7.4 168.4 36 -1.7 36 -3.4 0 0.0 0 0.0 14 55
25 C 33 GLN Q E E ABC - 8 35 -112.0 140.3 -178.7 -163.8 15.7 155.9 8 -2.3 8 -3.7 0 0.0 0 0.0 12 47
26 C 34 SER S E E ABC - 7 34 -125.3 158.1 179.3 -167.0 10.1 151.9 34 -2.6 33 -1.2 0 0.0 34 -1.0 13 56
27 C 35 GLN Q E E ABC - 6 32 -145.4 134.1 178.7 -151.4 10.7 173.9 6 -1.8 6 -2.4 0 0.0 0 0.0 12 44
28 C 36 VAL V E E ABC> TS- 5 31 -105.3 130.3 -177.9 -6.8 89.0 157.6 31 -2.8 31 -2.1 0 0.0 0 0.0 12 50
29 C 37 ASP D T e 3 TS- 0 0 41.1 69.1 -180.0 -47.6 138.7 15.1 4 -3.2 0 0.0 0 0.0 0 0.0 7 40
30 C 38 GLN Q T T 3 TS+ 0 0 55.2 -2.8 176.1 99.5 120.5 73.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
31 C 39 LYS K E E AC < TS- 28 0 -129.6 142.2 -177.4 -100.5 72.4 157.5 28 -2.1 28 -2.8 0 0.0 0 0.0 7 32
32 C 40 ASN N E E AC + 27 0 -36.2 151.6 178.4 147.4 43.1 73.8 0 0.0 0 0.0 0 0.0 0 0.0 11 35
33 C 41 PHE F E E A* + 0 0 -165.2 -10.9 -179.7 35.5 64.5 72.9 26 -1.2 0 0.0 0 0.0 0 0.0 12 42
34 C 42 LEU L E E AC - 26 0 -163.0 133.4 176.5 -174.2 40.9 157.6 26 -1.0 26 -2.6 0 0.0 0 0.0 13 48
35 C 43 SER S E E AC - 25 0 -120.9 123.3 -175.8 -176.2 29.4 175.2 0 0.0 44 -2.9 0 0.0 45 -1.3 12 43
36 C 44 TYR Y E E ACD - 24 43 -138.2 132.3 178.2 -140.6 33.7 168.6 24 -3.4 24 -1.7 0 0.0 38 -1.3 13 46
37 C 45 ASP D E E A D>>T - 0 42 -82.6 93.2 -179.1 -173.5 21.8 136.5 42 -3.1 42 -1.6 0 0.0 40 -0.9 13 41
38 C 46 CYS C T T 35TS+ 0 0 -70.7 0.3 -179.9 61.0 77.9 63.3 36 -1.3 0 0.0 0 0.0 0 0.0 13 44
39 C 47 GLY G T T 35TS+ 0 0 -98.7 -26.3 179.8 22.5 117.3 44.7 22 -0.7 0 0.0 0 0.0 0 0.0 12 37
40 C 48 SER S T T <5TS- 0 0 -125.4 16.5 179.2 -111.4 106.8 80.4 37 -0.9 0 0.0 0 0.0 0 0.0 5 29
41 C 49 ASP D T T 5T + 0 0 52.0 67.6 -179.9 145.8 66.9 11.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
42 C 50 LYS K E E AD T + 0 0 100.1 42.7 -178.2 167.5 51.8 36.9 0 0.0 50 -1.0 0 0.0 51 -0.5 7 27
49 C 57 LEU L T T 3 T + 0 0 -80.1 39.3 179.6 88.5 53.5 96.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
50 C 58 GLU E T T 3 TS+ 0 0 -122.2 22.8 178.4 44.2 89.8 85.1 48 -1.0 0 0.0 0 0.0 0 0.0 4 23
51 C 59 GLU E S t < TS- 0 0 -140.5 -1.6 179.6 -137.4 93.6 73.8 48 -0.5 0 0.0 0 0.0 0 0.0 6 34
52 C 60 GLN Q + 0 0 37.7 66.0 178.7 169.7 34.2 25.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
53 C 61 LEU L + 0 0 -70.9 -31.9 176.5 69.6 69.0 31.8 0 0.0 0 0.0 0 0.0 0 0.0 10 44
54 C 62 TYR Y S S S+ 0 0 -72.7 158.0 -178.1 58.8 83.4 117.9 0 0.0 0 0.0 0 0.0 0 0.0 7 39
55 C 63 ALA A S S S+ 0 0 80.6 33.3 177.8 106.2 88.0 32.5 0 0.0 0 0.0 0 0.0 0 0.0 6 27
56 C 64 THR T S h > > TS- 0 0 -138.9 149.1 179.7 -123.7 81.4 161.4 0 0.0 60 -0.6 0 0.0 59 -0.5 11 30
57 C 65 ASP D H H > 3 TS+ 0 0 -65.4 -32.0 -179.6 61.5 112.0 31.1 0 0.0 61 -1.3 0 0.0 0 0.0 7 27
58 C 66 ALA A H H > 3 TS+ 0 0 -63.0 -32.3 -177.8 72.0 88.4 36.1 0 0.0 62 -3.6 0 0.0 0 0.0 11 36
59 C 67 TRP W H H > < TS+ 0 0 -52.4 -53.2 -179.5 35.3 104.2 23.0 56 -0.5 63 -2.0 0 0.0 0 0.0 11 45
60 C 68 GLY G H H X TS+ 0 0 -70.9 -40.4 178.6 51.9 117.5 27.9 56 -0.6 64 -2.5 0 0.0 0 0.0 9 31
61 C 69 LYS K H H X TS+ 0 0 -58.1 -47.7 179.4 53.0 109.8 17.0 57 -1.3 65 -2.7 0 0.0 0 0.0 8 32
62 C 70 GLN Q H H X TS+ 0 0 -51.5 -52.5 179.4 45.0 110.4 23.6 58 -3.6 66 -2.6 0 0.0 0 0.0 11 54
63 C 71 LEU L H H X TS+ 0 0 -62.5 -35.7 179.1 57.3 110.0 31.5 59 -2.0 67 -1.9 0 0.0 0 0.0 10 52
64 C 72 GLU E H H X TS+ 0 0 -58.9 -55.6 -179.9 40.6 111.6 12.3 60 -2.5 68 -2.2 0 0.0 0 0.0 8 36
65 C 73 MET M H H X TS+ 0 0 -62.7 -37.0 179.4 59.3 109.3 30.9 61 -2.7 69 -3.4 0 0.0 0 0.0 9 52
66 C 74 LEU L H H X TS+ 0 0 -59.5 -37.3 178.6 45.6 109.4 26.9 62 -2.6 70 -1.8 0 0.0 0 0.0 10 57
67 C 75 ARG R H H X TS+ 0 0 -70.8 -43.7 -180.0 48.2 113.6 22.7 63 -1.9 71 -2.2 0 0.0 0 0.0 11 45
68 C 76 GLU E H H X TS+ 0 0 -63.8 -42.1 179.7 48.9 111.9 23.9 64 -2.2 72 -2.2 0 0.0 0 0.0 8 42
69 C 77 VAL V H H X TS+ 0 0 -64.1 -40.5 179.4 51.6 111.2 23.7 65 -3.4 73 -2.4 0 0.0 0 0.0 8 57
70 C 78 GLY G H H X TS+ 0 0 -63.0 -39.7 -179.9 47.7 110.3 27.8 66 -1.8 74 -1.7 0 0.0 0 0.0 13 51
71 C 79 GLN Q H H X TS+ 0 0 -70.2 -38.3 178.5 49.3 112.1 29.7 67 -2.2 75 -1.8 0 0.0 0 0.0 9 39
72 C 80 ARG R H H X TS+ 0 0 -64.8 -48.5 -179.2 47.4 112.0 19.5 68 -2.2 76 -2.2 0 0.0 0 0.0 8 43
73 C 81 LEU L H H X TS+ 0 0 -62.6 -34.3 179.6 58.7 108.2 28.9 69 -2.4 77 -2.8 0 0.0 0 0.0 9 55
74 C 82 ARG R H H X TS+ 0 0 -59.4 -51.1 -179.8 43.3 107.5 21.2 70 -1.7 78 -1.5 0 0.0 0 0.0 11 43
75 C 83 LEU L H H X TS+ 0 0 -62.3 -41.6 179.1 49.6 115.7 25.4 71 -1.8 79 -0.8 0 0.0 0 0.0 8 31
76 C 84 GLU E H H < > TS+ 0 0 -64.2 -38.5 179.8 52.6 108.8 28.2 72 -2.2 79 -0.8 0 0.0 0 0.0 8 46
77 C 85 LEU L H H < > TS+ 0 0 -66.7 -28.6 -179.1 61.8 102.1 37.6 73 -2.8 80 -0.8 0 0.0 0 0.0 10 41
78 C 86 ALA A H H < 3 TS+ 0 0 -70.8 -23.9 -179.9 40.3 108.7 43.0 74 -1.5 0 0.0 0 0.0 0 0.0 7 26
79 C 87 ASP D T h < < TS+ 0 0 -122.3 56.0 -179.6 148.8 86.7 115.3 76 -0.8 0 0.0 75 -0.8 0 0.0 6 28
80 C 88 THR T t < T 0 0 -80.0 -173.7 -175.0 999.9 999.9 92.6 77 -0.8 0 0.0 0 0.0 0 0.0 6 34
81!C 89 GLU E 0 0 -105.5 999.9 999.9 999.9 999.9 141.7 0 0.0 0 0.0 0 0.0 0 0.0 4 28
82!C 98 PRO P 0 0 999.9 156.9 -178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
83 C 99 LEU L e - 0 0 -60.9 131.4 179.5 -160.7 999.9 112.1 0 0.0 13 -2.6 0 0.0 85 -0.5 9 35
84 C 100 THR T E E AA - 12 0 -119.8 110.0 179.3 -163.7 4.5 161.8 107 -1.2 86 -0.7 0 0.0 0 0.0 10 41
85 C 101 LEU L E E AA - 11 0 -95.5 113.8 178.6 -167.6 5.6 147.7 11 -3.2 11 -3.1 83 -0.5 87 -0.6 13 50
86 C 102 GLN Q E E AAE - 10 106 -103.3 119.0 -178.3 -179.3 11.7 155.3 106 -1.2 106 -1.8 84 -0.7 0 0.0 13 48
87 C 103 VAL V E E AAE - 9 105 -124.7 139.0 176.8 -164.0 17.3 162.0 9 -1.7 9 -3.7 85 -0.6 89 -0.5 13 55
88 C 104 ARG R E E AAE - 8 104 -122.1 118.4 178.5 -170.8 6.3 165.7 104 -1.9 104 -1.5 0 0.0 0 0.0 11 56
89 C 105 MET M E E AAE + 7 103 -105.9 135.4 -179.9 175.2 16.1 153.2 7 -2.5 7 -2.7 87 -0.5 0 0.0 12 64
90 C 106 SER S E E AAE - 6 102 -144.8 150.8 177.0 -176.6 21.2 174.0 102 -2.4 102 -2.4 0 0.0 0 0.0 14 57
91 C 107 CYS C E E AAE - 5 101 -140.2 144.5 -178.3 -168.6 10.5 169.2 5 -1.5 5 -1.9 0 0.0 0 0.0 15 55
92 C 108 GLU E E E AAE - 4 100 -141.8 127.2 179.4 -151.6 9.6 168.9 100 -1.0 100 -1.7 0 0.0 94 -0.5 13 46
93 C 109 CYS C E E AA - 3 0 -100.5 129.3 179.3 -162.1 14.6 150.5 3 -2.5 3 -2.3 0 0.0 0 0.0 13 37
94 C 110 GLU E - 0 0 -89.2 -159.1 -179.0 -76.3 45.9 87.6 92 -0.5 0 0.0 0 0.0 0 0.0 10 25
95 C 111 ALA A S S S+ 0 0 -77.4 -12.7 -179.5 38.1 133.6 51.2 0 0.0 0 0.0 0 0.0 0 0.0 7 18
96 C 112 ASP D S S S- 0 0 -103.8 -37.5 -179.1 -97.6 121.5 40.9 0 0.0 0 0.0 0 0.0 0 0.0 5 15
97 C 113 GLY G + 0 0 133.1 -9.2 -180.0 158.4 64.3 80.4 0 0.0 99 -1.0 0 0.0 0 0.0 6 28
98 C 114 TYR Y - 0 0 -47.1 87.6 -179.1 -159.7 28.7 101.1 0 0.0 0 0.0 0 0.0 0 0.0 8 29
99 C 115 ILE I - 0 0 -81.8 126.9 177.9 -158.7 9.3 128.1 97 -1.0 101 -0.6 0 0.0 0 0.0 10 39
100 C 116 ARG R E E AE - 92 0 -105.1 116.5 179.0 -173.5 11.7 159.1 92 -1.7 92 -1.0 0 0.0 102 -0.5 11 43
101 C 117 GLY G E E AE + 91 0 -113.5 126.5 -179.5 154.8 15.4 164.1 99 -0.6 117 -1.8 0 0.0 118 -0.9 14 48
102 C 118 SER S E E AEF - 90 116 -148.5 163.0 179.3 -144.4 29.2 166.1 90 -2.4 90 -2.4 100 -0.5 0 0.0 14 50
103 C 119 TRP W E E AEF - 89 115 -128.5 147.0 178.5 -159.4 6.7 162.2 115 -2.2 115 -2.4 0 0.0 0 0.0 13 59
104 C 120 GLN Q E E AEF - 88 114 -130.6 123.8 -179.0 -162.4 9.2 170.0 88 -1.5 88 -1.9 0 0.0 0 0.0 12 52
105 C 121 PHE F E E AEF + 87 113 -113.7 133.8 178.6 166.5 14.1 154.1 113 -2.8 112 -3.6 0 0.0 113 -1.7 12 58
106 C 122 SER S E E AEF - 86 111 -132.0 161.2 -179.3 -166.7 17.4 151.4 86 -1.8 86 -1.2 0 0.0 0 0.0 12 45
107 C 123 PHE F S e S- 0 0 -129.1 -13.6 179.2 -0.4 86.6 57.7 110 -0.8 84 -1.2 0 0.0 0 0.0 11 44
108 C 124 ASP D S S S- 0 0 -161.4 15.6 180.0 -62.0 125.0 79.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
109 C 125 GLY G S S S+ 0 0 113.9 -8.6 179.4 104.9 109.4 74.0 0 0.0 111 -0.6 0 0.0 0 0.0 6 25
110 C 126 ARG R S e S- 0 0 -108.9 117.9 -179.9 -115.7 77.8 157.3 0 0.0 107 -0.8 0 0.0 0 0.0 6 23
111 C 127 LYS K E E AF + 106 0 -49.2 139.6 -178.5 169.4 39.9 99.5 109 -0.6 0 0.0 0 0.0 0 0.0 10 34
112 C 128 PHE F E E A* + 0 0 -120.5 -49.2 -177.0 16.2 53.6 45.8 105 -3.6 125 -2.1 0 0.0 126 -1.2 13 38
113 C 129 LEU L E E AFG - 105 124 -136.3 151.5 177.8 -159.8 51.2 162.8 105 -1.7 105 -2.8 0 0.0 0 0.0 14 45
114 C 130 LEU L E E AFG - 104 123 -132.3 133.5 178.7 -162.1 7.1 176.8 123 -1.7 123 -2.5 0 0.0 0 0.0 12 47
115 C 131 PHE F E E AFG - 103 122 -118.4 126.4 179.2 -159.4 5.6 166.4 103 -2.4 103 -2.2 0 0.0 117 -0.9 11 49
116 C 132 ASP D E E >AFG >T - 102 121 -104.2 98.2 -178.9 -171.1 6.3 151.2 121 -2.1 120 -1.4 0 0.0 121 -1.3 11 41
117 C 133 SER S T e 4 5TS+ 0 0 -54.0 -51.7 -179.8 56.6 81.3 21.3 101 -1.8 0 0.0 115 -0.9 0 0.0 14 43
118 C 134 ASN N T T 4 5TS+ 0 0 -44.3 -65.0 -179.5 23.7 122.6 22.1 101 -0.9 0 0.0 0 0.0 0 0.0 10 36
119 C 135 ASN N T T 4 5TS- 0 0 -82.9 -6.8 178.9 -131.9 103.5 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
120 C 136 ARG R T T < 5T + 0 0 59.2 36.7 -180.0 151.4 53.2 31.4 116 -1.4 122 -0.5 0 0.0 0 0.0 8 37
121 C 137 LYS K E E AG TS- 0 0 -130.9 144.6 179.7 -129.5 76.5 164.9 112 -1.2 129 -1.7 0 0.0 0 0.0 9 25
127 C 143 ALA A G G > TS+ 0 0 -59.7 -40.0 -179.1 54.7 110.6 25.9 0 0.0 130 -1.3 0 0.0 0 0.0 6 21
128 C 144 GLY G G G 3 TS+ 0 0 -76.7 6.1 -179.5 68.3 95.8 66.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
129 C 145 ALA A G h > < T + 0 0 -104.2 5.4 -178.7 97.7 68.1 68.2 126 -1.7 133 -1.8 0 0.0 0 0.0 11 33
130 C 146 ARG R H H > < TS+ 0 0 -61.4 -36.7 -179.0 48.2 84.2 31.2 127 -1.3 134 -1.7 0 0.0 0 0.0 9 27
131 C 147 ARG R H H > TS+ 0 0 -73.7 -44.4 179.4 50.3 108.1 24.4 0 0.0 135 -2.6 0 0.0 0 0.0 8 27
132 C 148 MET M H H > TS+ 0 0 -61.9 -35.2 178.9 55.5 108.9 28.5 0 0.0 136 -3.0 0 0.0 0 0.0 9 39
133 C 149 LYS K H H X TS+ 0 0 -58.7 -53.3 178.8 46.8 109.0 15.2 129 -1.8 137 -3.2 0 0.0 0 0.0 12 43
134 C 150 GLU E H H X TS+ 0 0 -50.1 -59.1 -179.7 46.9 114.2 18.6 130 -1.7 138 -2.7 0 0.0 0 0.0 8 31
135 C 151 LYS K H H X TS+ 0 0 -50.4 -57.7 -178.6 38.9 119.4 18.3 131 -2.6 139 -1.3 0 0.0 0 0.0 8 32
136 C 152 TRP W H H < TS+ 0 0 -68.0 -29.1 179.5 56.2 112.6 38.7 132 -3.0 143 -0.6 0 0.0 0 0.0 10 42
137 C 153 GLU E H H < TS+ 0 0 -69.2 -37.8 179.2 42.1 113.2 25.8 133 -3.2 0 0.0 0 0.0 0 0.0 9 32
138 C 154 LYS K H H < TS+ 0 0 -79.9 -19.7 177.3 81.7 96.5 45.7 134 -2.7 140 -2.1 0 0.0 0 0.0 6 22
139 C 155 ASP D h X T + 0 0 -84.8 79.9 -178.7 176.5 62.1 126.8 135 -1.3 143 -2.3 0 0.0 0 0.0 8 27
140 C 156 SER S H H > TS+ 0 0 -54.5 -34.9 179.8 57.2 73.9 33.7 138 -2.1 144 -2.2 0 0.0 0 0.0 8 23
141 C 157 GLY G H H > TS+ 0 0 -64.0 -45.2 179.8 44.1 108.7 22.4 0 0.0 145 -1.6 0 0.0 0 0.0 6 25
142 C 158 LEU L H H > TS+ 0 0 -62.6 -56.3 -179.2 47.9 115.1 11.9 0 0.0 146 -1.9 0 0.0 0 0.0 8 41
143 C 159 THR T H H X TS+ 0 0 -55.1 -37.1 178.6 49.0 112.5 33.4 139 -2.3 147 -1.1 136 -0.6 0 0.0 10 40
144 C 160 THR T H H X TS+ 0 0 -72.4 -30.9 179.0 56.7 107.0 34.2 140 -2.2 148 -3.0 0 0.0 0 0.0 8 35
145 C 161 PHE F H H X TS+ 0 0 -65.4 -37.2 -179.5 50.3 106.5 27.9 141 -1.6 149 -2.0 0 0.0 0 0.0 8 40
146 C 162 PHE F H H X TS+ 0 0 -72.3 -27.7 179.7 45.4 113.1 37.9 142 -1.9 150 -1.0 0 0.0 0 0.0 10 53
147 C 163 LYS K H H X TS+ 0 0 -80.2 -48.2 -178.3 47.3 113.8 20.8 143 -1.1 151 -2.6 0 0.0 0 0.0 13 42
148 C 164 MET M H H X >TS+ 0 0 -61.0 -45.4 -178.3 46.3 113.6 24.4 144 -3.0 152 -1.7 0 0.0 153 -1.4 9 38
149 C 165 VAL V H H < >TS+ 0 0 -68.4 -39.2 -179.3 37.1 120.4 26.8 145 -2.0 154 -2.4 0 0.0 0 0.0 10 51
150 C 166 SER S H H < 5TS+ 0 0 -83.8 -28.8 -178.6 44.9 120.5 36.4 146 -1.0 0 0.0 0 0.0 0 0.0 15 58
151 C 167 MET M H H < 5TS+ 0 0 -87.0 -24.8 -178.5 5.9 134.0 40.2 147 -2.6 0 0.0 0 0.0 0 0.0 14 44
152 C 168 ARG R T h X 5TS+ 0 0 -122.3 -61.0 -179.4 47.6 125.9 43.7 148 -1.7 156 -2.4 0 0.0 0 0.0 8 40
153 C 169 ASP D H H > TS+ 0 0 -69.8 -31.7 -179.6 56.6 108.9 35.1 0 0.0 159 -2.7 0 0.0 0 0.0 13 49
156 C 172 SER S H H X TS+ 0 0 -66.9 -45.7 179.9 42.8 108.4 24.0 152 -2.4 160 -2.2 0 0.0 0 0.0 9 45
157 C 173 TRP W H H X TS+ 0 0 -70.5 -32.8 -179.7 53.8 114.1 29.0 153 -1.9 161 -2.4 0 0.0 0 0.0 11 52
158 C 174 LEU L H H X TS+ 0 0 -63.3 -49.2 179.6 47.8 109.2 17.4 154 -1.8 162 -2.5 0 0.0 0 0.0 12 58
159 C 175 ARG R H H X TS+ 0 0 -57.1 -48.4 -179.8 45.7 114.3 22.4 155 -2.7 163 -3.3 0 0.0 0 0.0 8 45
160 C 176 ASP D H H X TS+ 0 0 -67.7 -36.4 178.7 49.7 112.1 31.0 156 -2.2 164 -1.5 0 0.0 0 0.0 11 37
161 C 177 PHE F H H X TS+ 0 0 -66.7 -43.6 -179.8 42.4 117.5 20.4 157 -2.4 165 -2.7 0 0.0 0 0.0 11 49
162 C 178 LEU L H H X TS+ 0 0 -65.2 -55.0 -179.6 50.9 111.8 16.0 158 -2.5 166 -1.8 0 0.0 0 0.0 8 43
163 C 179 MET M H H X TS+ 0 0 -53.1 -31.1 179.5 43.3 117.9 33.3 159 -3.3 167 -1.6 0 0.0 0 0.0 8 32
164 C 180 HIS H H H X TS+ 0 0 -81.5 -39.1 179.9 61.3 105.5 30.6 160 -1.5 168 -1.1 0 0.0 0 0.0 10 28
165 C 181 ARG R H H X TS+ 0 0 -59.4 -25.6 -178.7 39.4 112.8 39.2 161 -2.7 169 -0.8 0 0.0 0 0.0 10 32
166 C 182 LYS K H H X TS+ 0 0 -90.5 -60.3 -179.8 64.2 100.1 18.8 162 -1.8 170 -0.6 0 0.0 0 0.0 8 20
167 C 183 LYS K H H < TS+ 0 0 -36.3 -30.4 176.8 53.2 105.9 42.6 163 -1.6 0 0.0 0 0.0 0 0.0 7 17
168 C 184 ARG R H H < TS+ 0 0 -68.0 -66.5 179.0 35.7 116.5 7.8 164 -1.1 0 0.0 0 0.0 0 0.0 6 17
169 C 185 LEU L H H < T 0 0 -48.6 -85.0 179.5 999.9 999.9 16.8 165 -0.8 0 0.0 0 0.0 0 0.0 5 13
170 C 186 GLU E h < T 0 0 -74.1 999.9 999.9 999.9 999.9 57.5 166 -0.6 0 0.0 0 0.0 0 0.0 4 9
1kcgC.pdb
1KCG IMMUNE SYSTEM MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEESS SS SEEEEEEETTEEEEEEETTTTEE TTS SSSHHHHHHHHHHHHHHHHHHHHHHT EEEEEEEEEE SS E Kabs/Sand
chirality -----------+--+-+--++-------+-++----++-+-----++++-++++-+++++++++++++++++++++++ ------+-----+-+--- chirality
bends SS SS S SSSS SSS SS SSSSSSSSSSSSSSSSSSSSSSSSSS SS bends
turns TTTT TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< 3-turns
bridge-2 BBBBBBB CCCCC DD EEEEEEE bridge-2
bridge-1 AAAAAAAAAA BBBBBBB CC*CCC DD AAAAAAAAAA E bridge-1
sheets AAAAAAAAAA AAAAAAA AAAAAAA AA AAAAAAAAAA A sheets
4-turns >>>>XXXXXXXXXXXXXXXX<<<< 4-turns
summary EEEEEEEEEEeS SS eEEEEEEEeTEEEEEEETTTTEEe tTTt SShHHHHHHHHHHHHHHHHHHHHHHht eEEEEEEEEEE SS E summary
sequence DAHSLWYNFTIIHLPRHGQQWCEVQSQVDQKNFLSYDCGSDKVLSMGHLEEQLYATDAWGKQLEMLREVGQRLRLELADTEPLTLQVRMSCECEADGYIR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEESSSSEEEEEETTTTEEEESSGGGHHHHHHHHH HHHHHHHHHHHHTHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +---+---+-++----++-+---++-++++++++++++++++++++++++++++++++++++++++++ chirality
bends SSSS SSS SSSS SSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >>3<< 3-turns
bridge-2 FFFFF GGGG bridge-2
bridge-1 EEEEEE F*FFFF GGGG bridge-1
sheets AAAAAA AAAAAA AAAA sheets
4-turns >444< >>>>XXX<<>>XXXXXX<<>>XXXXXXXXXXX<<<< 4-turns
summary EEEEEEeSSeEEEEEEeTTTEEEEegGGhHHHHHHHHHhHHHHHHHHHHHHhHHHHHHHHHHHHHHHHHh summary
sequence GSWQFSFDGRKFLLFDSNNRKWTVVHAGARRMKEKWEKDSGLTTFFKMVSMRDCKSWLRDFLMHRKKRLE sequence
110 120 130 140 150 160 170
Messages
chain break between 81(C 89 ) and 82(C 98 )