Secondary structure calculation program - copyright by David Keith Smith, 1989
1kgdA.pdb
1KGD PROTEIN BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 175
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 732 HIS H 0 0 999.9 127.5 175.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
2 A 733 MET M + 0 0 -76.9 -46.2 174.2 36.7 999.9 25.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
3 A 734 ARG R + 0 0 -106.6 127.7 -172.5 175.4 69.3 160.8 0 0.0 0 0.0 0 0.0 0 0.0 12 45
4 A 735 LYS K e + 0 0 -112.1 -7.6 -175.7 55.2 59.2 62.1 112 -1.6 94 -2.2 0 0.0 0 0.0 14 50
5 A 736 THR T E E Aab - 94 113 -136.3 127.5 175.2 -154.0 60.7 174.6 112 -1.3 114 -3.0 0 0.0 7 -0.7 12 63
6 A 737 LEU L E E Aab - 95 114 -99.9 110.4 180.0 -163.5 18.6 155.3 94 -3.3 96 -2.8 0 0.0 8 -0.6 13 70
7 A 738 VAL V E E Aab - 96 115 -98.4 122.3 176.8 -160.8 2.5 150.0 114 -2.7 116 -3.0 5 -0.7 9 -0.7 12 67
8 A 739 LEU L E E Aab - 97 116 -105.1 110.9 175.9 -173.2 9.3 155.9 96 -2.6 98 -0.8 6 -0.6 0 0.0 13 68
9 A 740 LEU L E E A b + 0 117 -97.4 150.3 179.6 115.6 26.4 137.8 116 -2.7 118 -3.1 7 -0.7 0 0.0 12 60
10 A 741 GLY G - 0 0 163.7 163.3 177.9 -64.4 62.7 150.5 0 0.0 0 0.0 0 0.0 0 0.0 14 56
11 A 742 ALA A t > T - 0 0 -66.0 149.8 176.8 -88.9 65.4 109.6 0 0.0 14 -2.0 0 0.0 0 0.0 13 46
12 A 743 HIS H T T 3 TS+ 0 0 -61.3 128.3 -178.7 19.4 116.0 115.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
13 A 744 GLY G T T 3 TS+ 0 0 89.7 2.9 -179.1 121.4 83.3 63.2 0 0.0 0 0.0 0 0.0 0 0.0 7 39
14 A 745 VAL V S t < TS- 0 0 -72.7 -15.0 178.0 -93.0 93.1 48.0 11 -2.0 0 0.0 0 0.0 0 0.0 11 50
15 A 746 GLY G S h > TS+ 0 0 120.3 3.6 -177.9 129.3 86.0 64.1 0 0.0 19 -2.6 0 0.0 0 0.0 9 47
16 A 747 ARG R H H > TS+ 0 0 -60.7 -31.8 -179.4 54.6 74.4 35.9 0 0.0 20 -2.9 0 0.0 0 0.0 11 50
17 A 748 ARG R H H > TS+ 0 0 -69.3 -43.4 174.6 43.7 111.5 19.9 0 0.0 21 -2.5 0 0.0 0 0.0 8 42
18 A 749 HIS H H H > TS+ 0 0 -62.3 -43.8 -179.3 49.0 116.1 23.6 0 0.0 22 -2.4 0 0.0 0 0.0 7 36
19 A 750 ILE I H H X TS+ 0 0 -61.9 -48.9 179.9 45.6 113.5 18.3 15 -2.6 23 -2.6 0 0.0 0 0.0 10 51
20 A 751 LYS K H H X TS+ 0 0 -60.5 -50.4 -177.6 45.1 115.7 21.1 16 -2.9 24 -2.1 0 0.0 0 0.0 10 51
21 A 752 ASN N H H X TS+ 0 0 -65.5 -37.5 178.2 50.6 113.6 26.6 17 -2.5 25 -2.5 0 0.0 0 0.0 8 38
22 A 753 THR T H H X TS+ 0 0 -65.8 -43.2 179.2 51.0 108.9 21.9 18 -2.4 26 -2.6 0 0.0 0 0.0 8 33
23 A 754 LEU L H H X TS+ 0 0 -60.8 -42.7 -179.7 43.6 114.3 24.2 19 -2.6 27 -2.5 0 0.0 0 0.0 12 42
24 A 755 ILE I H H < TS+ 0 0 -69.5 -42.4 179.4 49.3 114.4 23.3 20 -2.1 0 0.0 0 0.0 0 0.0 12 35
25 A 756 THR T H H < TS+ 0 0 -62.5 -39.4 178.9 43.9 116.2 26.8 21 -2.5 0 0.0 0 0.0 0 0.0 7 24
26 A 757 A LYS K H H < TS+ 0 0 -68.6 -48.0 -175.5 20.9 131.5 21.3 22 -2.6 0 0.0 0 0.0 0 0.0 6 26
27 A 758 HIS H h X > T + 0 0 -126.3 68.0 -177.4 157.5 64.3 125.2 23 -2.5 31 -2.3 0 0.0 30 -2.2 8 28
28 A 759 PRO P T T 4 3 TS+ 0 0 -70.7 -10.4 174.9 61.6 78.4 50.0 0 0.0 0 0.0 0 0.0 0 0.0 9 24
29 A 760 ASP D T T 4 3 TS+ 0 0 -89.7 1.2 -178.4 33.2 114.4 66.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
30 A 761 A ARG R T e 4 < TS+ 0 0 -122.5 -41.8 -176.8 39.3 117.0 46.7 27 -2.2 93 -2.8 0 0.0 0 0.0 9 41
31 A 762 PHE F E E > T - 0 0 69.8 106.7 179.2 -106.9 999.9 30.4 0 0.0 47 -2.0 0 0.0 48 -0.6 7 16
45 A 779 ASN N T T 4 3 TS+ 0 0 -62.7 124.0 179.5 21.3 105.9 116.3 0 0.0 0 0.0 0 0.0 0 0.0 8 20
46 A 780 GLY G T T 4 3 TS+ 0 0 97.4 -0.1 178.8 94.1 100.2 64.5 49 -3.0 0 0.0 0 0.0 0 0.0 8 29
47 A 781 LYS K T T 4 < TS- 0 0 -85.4 -68.5 177.2 -19.0 114.4 18.8 44 -2.0 0 0.0 49 -0.6 0 0.0 8 19
48 A 782 ASN N S t < TS+ 0 0 -112.2 -21.6 177.9 17.2 136.9 54.0 44 -0.6 0 0.0 0 0.0 0 0.0 9 26
49 A 783 TYR Y - 0 0 -146.0 155.6 167.1 -132.0 62.8 169.1 0 0.0 46 -3.0 0 0.0 47 -0.6 11 31
50 A 784 TYR Y E E Bd - 37 0 -102.6 131.8 -177.5 -137.2 33.1 161.1 36 -2.1 38 -2.6 0 0.0 52 -0.5 11 37
51 A 785 PHE F E E Bd + 38 0 -97.5 128.3 -177.6 167.1 30.9 145.2 0 0.0 0 0.0 0 0.0 0 0.0 12 33
52 A 786 A VAL V e - 0 0 -139.2 152.9 179.4 -104.0 36.2 162.8 38 -2.6 0 0.0 50 -0.5 0 0.0 9 39
53 A 787 SER S h > T - 0 0 -72.7 157.3 177.5 -116.9 32.1 110.5 0 0.0 57 -2.5 0 0.0 0 0.0 7 27
54 A 788 HIS H H H > TS+ 0 0 -58.1 -47.8 -179.1 49.4 115.9 19.8 0 0.0 58 -2.6 0 0.0 0 0.0 8 30
55 A 789 ASP D H H > TS+ 0 0 -61.7 -39.1 -179.6 49.0 111.1 28.1 0 0.0 59 -2.2 0 0.0 0 0.0 6 24
56 A 790 GLN Q H H > TS+ 0 0 -68.9 -41.9 178.9 47.4 112.3 21.8 0 0.0 60 -2.2 0 0.0 0 0.0 8 28
57 A 791 MET M H H X TS+ 0 0 -63.7 -42.3 179.5 50.3 112.2 22.7 53 -2.5 61 -2.6 0 0.0 0 0.0 10 38
58 A 792 MET M H H X TS+ 0 0 -61.8 -42.7 178.8 50.0 110.2 24.5 54 -2.6 62 -2.4 0 0.0 0 0.0 8 31
59 A 793 GLN Q H H X TS+ 0 0 -61.6 -42.3 -178.7 47.3 112.6 24.2 55 -2.2 63 -1.0 0 0.0 0 0.0 8 23
60 A 794 ASP D H H < >TS+ 0 0 -68.6 -39.8 177.0 50.4 111.0 28.2 56 -2.2 65 -2.7 0 0.0 0 0.0 10 32
61 A 795 ILE I H H < >5TS+ 0 0 -62.1 -45.1 -180.0 52.1 108.6 22.1 57 -2.6 64 -2.2 0 0.0 0 0.0 9 33
62 A 796 SER S H H < 35TS+ 0 0 -63.0 -25.8 177.9 52.8 108.1 39.6 58 -2.4 0 0.0 0 0.0 0 0.0 7 21
63 A 797 ASN N T h < 35TS- 0 0 -93.6 16.7 179.2 -113.6 120.4 80.7 59 -1.0 0 0.0 0 0.0 0 0.0 6 20
64 A 798 ASN N T T <5TS+ 0 0 54.3 42.4 179.8 136.1 74.4 32.2 61 -2.2 0 0.0 0 0.0 0 0.0 7 25
65 A 799 GLU E e T - 75 0 -155.7 118.1 178.7 -16.0 69.6 150.7 75 -3.1 75 -1.3 0 0.0 0 0.0 7 17
73 A 807 GLU E T T 3 TS- 0 0 54.1 55.0 178.6 -48.0 127.1 21.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
74 A 808 ASP D T T 3 TS+ 0 0 68.7 2.1 -179.9 102.5 123.0 61.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
75 A 809 ALA A E E B F< T - 0 72 -116.3 159.7 179.7 -134.1 63.8 142.7 72 -1.3 72 -3.1 0 0.0 0 0.0 9 27
76 A 810 A MET M E E B F - 0 71 -113.8 148.9 179.6 -171.4 15.8 148.2 0 0.0 39 -2.1 0 0.0 0 0.0 12 35
77 A 811 TYR Y E E BEF + 38 70 -136.2 145.8 179.0 156.0 14.0 169.9 70 -2.9 70 -2.6 0 0.0 0 0.0 12 42
78 A 812 GLY G E E BEF - 37 69 -165.0 159.2 176.3 -118.9 39.8 171.8 37 -2.2 37 -3.5 0 0.0 80 -0.6 12 51
79 A 813 THR T E E B F - 0 68 -107.2 119.2 -176.8 -145.5 32.9 159.4 68 -1.9 67 -3.2 0 0.0 68 -0.9 13 56
80 A 814 LYS K E E >B F> T - 0 66 -86.4 140.3 178.7 -134.9 12.8 127.2 78 -0.6 84 -1.0 0 0.0 83 -0.7 12 52
81 A 815 LEU L H H > 3 TS+ 0 0 -59.4 -37.1 179.4 63.3 105.7 28.7 65 -2.6 85 -2.3 0 0.0 0 0.0 9 51
82 A 816 GLU E H H > 3 TS+ 0 0 -56.5 -35.7 -179.4 57.3 96.9 31.0 65 -0.5 86 -2.0 0 0.0 0 0.0 7 39
83 A 817 THR T H H > < TS+ 0 0 -64.1 -39.1 177.3 46.9 107.5 26.3 80 -0.7 87 -1.3 0 0.0 0 0.0 10 50
84 A 818 ILE I H H X TS+ 0 0 -67.3 -40.4 178.5 56.1 108.4 25.4 80 -1.0 88 -2.3 0 0.0 0 0.0 11 51
85 A 819 ARG R H H X TS+ 0 0 -58.4 -40.0 179.3 55.7 102.9 28.6 81 -2.3 89 -2.5 0 0.0 0 0.0 9 40
86 A 820 A LYS K H H X TS+ 0 0 -60.3 -40.5 179.0 49.3 107.1 27.6 82 -2.0 90 -0.8 0 0.0 0 0.0 8 33
87 A 821 ILE I H H < >>TS+ 0 0 -64.1 -47.0 -179.7 47.7 112.3 18.5 83 -1.3 92 -1.9 0 0.0 90 -1.0 14 37
88 A 822 HIS H H H < >5TS+ 0 0 -62.1 -39.1 -179.1 59.5 104.6 29.2 84 -2.3 91 -2.1 0 0.0 0 0.0 11 40
89 A 823 GLU E H H < 35TS+ 0 0 -63.9 -21.6 178.0 54.1 103.0 42.5 85 -2.5 0 0.0 0 0.0 0 0.0 7 27
90 A 824 GLN Q T h < <5TS- 0 0 -91.6 3.8 179.6 -109.1 120.9 70.2 87 -1.0 0 0.0 86 -0.8 0 0.0 6 24
91 A 825 GLY G T T <5TS+ 0 0 76.3 20.3 178.3 131.8 76.5 44.3 88 -2.1 0 0.0 0 0.0 0 0.0 8 31
92 A 826 LEU L t T - 0 0 -84.8 155.4 -178.0 -106.3 46.5 123.2 0 0.0 102 -1.9 0 0.0 0 0.0 7 46
100 A 834 PRO P G G > TS+ 0 0 -54.2 -29.3 -179.8 73.6 114.1 37.5 0 0.0 103 -2.1 0 0.0 0 0.0 7 44
101 A 835 GLN Q G G > TS+ 0 0 -55.2 -30.2 -179.7 68.8 83.5 37.1 0 0.0 104 -1.6 0 0.0 0 0.0 5 36
102 A 836 ALA A G h > X TS+ 0 0 -62.2 -23.1 -178.5 73.5 83.2 42.8 99 -1.9 106 -2.0 0 0.0 105 -0.9 10 45
103 A 837 LEU L H H > < TS+ 0 0 -66.5 -22.0 178.5 73.5 78.6 43.2 100 -2.1 107 -2.5 0 0.0 0 0.0 7 49
104 A 838 LYS K H H 4 < TS+ 0 0 -57.4 -40.8 -179.5 26.2 112.8 25.0 101 -1.6 0 0.0 0 0.0 0 0.0 6 32
105 A 839 VAL V H H 4 < TS+ 0 0 -91.9 -31.7 -176.8 52.6 123.2 37.2 102 -0.9 0 0.0 0 0.0 0 0.0 7 38
106 A 840 LEU L H H < TS+ 0 0 -77.5 -28.9 -177.3 86.4 84.7 38.3 102 -2.0 108 -2.4 0 0.0 0 0.0 11 46
107 A 841 ARG R S h < TS+ 0 0 -77.8 68.5 177.1 98.6 70.1 113.1 103 -2.5 0 0.0 0 0.0 0 0.0 9 39
108 A 842 THR T S t > > TS- 0 0 -142.4 165.8 -180.0 -101.4 88.2 157.5 106 -2.4 112 -2.3 0 0.0 111 -0.7 8 26
109 A 843 ALA A T T 4 3 TS+ 0 0 -58.3 -35.0 -178.5 66.3 116.1 33.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
110 A 844 GLU E T T 4 3 TS+ 0 0 -55.7 -43.6 -177.1 22.0 117.1 28.1 0 0.0 0 0.0 0 0.0 0 0.0 5 34
111 A 845 PHE F T T 4 < TS- 0 0 -102.3 -18.0 176.7 -162.8 85.1 50.2 108 -0.7 0 0.0 0 0.0 0 0.0 12 45
112 A 846 ALA A e < T - 0 0 35.5 66.0 -177.9 -157.2 18.4 33.5 108 -2.3 4 -1.6 0 0.0 5 -1.3 12 41
113 A 847 PRO P E E Ab - 5 0 -76.4 147.4 170.6 -152.9 21.1 112.5 0 0.0 115 -0.5 0 0.0 0 0.0 12 53
114 A 848 PHE F E E Ab - 6 0 -111.0 115.5 -171.5 -149.3 26.1 172.1 5 -3.0 7 -2.7 0 0.0 116 -0.6 12 53
115 A 849 VAL V E E Ab - 7 0 -102.6 116.0 -179.4 -178.8 18.0 144.2 113 -0.5 152 -2.9 0 0.0 153 -1.4 12 55
116 A 850 VAL V E E Abg - 8 153 -116.2 126.1 174.0 -149.0 16.9 161.7 7 -3.0 9 -2.7 114 -0.6 118 -0.6 13 61
117 A 851 PHE F E E Abg - 9 154 -90.6 121.5 177.0 -155.4 8.0 147.2 153 -2.7 155 -2.7 0 0.0 119 -0.8 13 61
118 A 852 ILE I E E A g - 0 155 -98.5 106.7 -174.2 -154.5 20.5 151.6 9 -3.1 0 0.0 116 -0.6 0 0.0 14 61
119 A 853 ALA A E E A g - 0 156 -87.8 150.8 177.5 -97.1 20.6 121.8 155 -2.6 157 -2.8 117 -0.8 0 0.0 13 56
120 A 854 ALA A - 0 0 -59.6 147.7 -179.7 -89.0 54.8 104.1 0 0.0 0 0.0 0 0.0 0 0.0 13 47
121 A 855 PRO P - 0 0 -61.9 143.9 173.3 -167.0 29.2 106.6 0 0.0 0 0.0 0 0.0 0 0.0 9 41
122 A 856 THR T S S S+ 0 0 -100.6 -14.7 178.9 63.8 81.9 60.6 0 0.0 124 -0.6 0 0.0 0 0.0 6 32
123 A 857 ILE I + 0 0 -113.9 109.3 -171.5 157.6 61.6 163.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
124 A 858 THR T t > T + 0 0 -132.1 46.7 -177.7 140.0 13.9 101.9 122 -0.6 127 -1.6 0 0.0 0 0.0 7 23
125 A 859 PRO P T T 3 TS+ 0 0 -63.5 -25.2 -177.4 47.8 81.6 37.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
126 A 860 GLY G T T 3 TS+ 0 0 -95.3 2.1 -175.0 83.8 98.7 65.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
127 A 861 LEU L S t < TS- 0 0 -115.4 132.3 176.6 -126.6 74.7 154.2 124 -1.6 0 0.0 0 0.0 0 0.0 6 24
128 A 862 ASN N - 0 0 -67.9 143.7 177.7 -121.9 25.2 116.6 0 0.0 130 -1.9 0 0.0 0 0.0 5 17
129 A 863 GLU E + 0 0 -82.4 56.0 -178.1 142.5 66.6 109.7 0 0.0 0 0.0 0 0.0 0 0.0 7 18
130 A 864 ASP D S h > TS- 0 0 -90.2 -176.0 -178.8 -83.2 70.9 101.0 128 -1.9 134 -2.6 0 0.0 0 0.0 6 15
131 A 865 GLU E H H > TS+ 0 0 -55.8 -40.9 -179.5 53.7 126.6 29.5 0 0.0 135 -2.5 0 0.0 0 0.0 6 16
132 A 866 SER S H H > TS+ 0 0 -64.0 -45.5 179.6 41.8 111.9 22.9 0 0.0 136 -2.2 0 0.0 0 0.0 7 22
133 A 867 LEU L H H > TS+ 0 0 -69.9 -39.7 179.0 51.5 114.8 25.8 0 0.0 137 -2.7 0 0.0 0 0.0 10 30
134 A 868 GLN Q H H X TS+ 0 0 -62.3 -43.3 178.8 45.8 112.5 22.4 130 -2.6 138 -2.4 0 0.0 0 0.0 9 25
135 A 869 ARG R H H X TS+ 0 0 -68.0 -37.5 176.9 53.3 111.2 27.3 131 -2.5 139 -2.8 0 0.0 0 0.0 8 26
136 A 870 LEU L H H X TS+ 0 0 -60.2 -47.8 -178.6 44.0 112.3 19.4 132 -2.2 140 -2.6 0 0.0 0 0.0 13 36
137 A 871 GLN Q H H X TS+ 0 0 -67.3 -37.7 176.2 50.8 114.0 26.0 133 -2.7 141 -2.4 0 0.0 0 0.0 11 36
138 A 872 LYS K H H X TS+ 0 0 -60.9 -51.4 -178.4 43.8 113.9 18.5 134 -2.4 142 -2.4 0 0.0 0 0.0 8 27
139 A 873 GLU E H H X TS+ 0 0 -63.7 -41.5 177.9 51.9 113.1 25.3 135 -2.8 143 -2.5 0 0.0 0 0.0 10 34
140 A 874 SER S H H X TS+ 0 0 -60.8 -44.4 179.2 47.9 110.8 22.1 136 -2.6 144 -2.7 0 0.0 0 0.0 12 42
141 A 875 ASP D H H X TS+ 0 0 -64.5 -40.7 177.2 52.6 109.7 26.6 137 -2.4 145 -2.4 0 0.0 0 0.0 8 33
142 A 876 ILE I H H X TS+ 0 0 -58.7 -48.0 -179.2 45.0 113.0 18.1 138 -2.4 146 -1.4 0 0.0 0 0.0 8 28
143 A 877 LEU L H H X TS+ 0 0 -62.1 -44.4 -177.1 51.3 112.6 21.4 139 -2.5 147 -2.6 0 0.0 0 0.0 11 41
144 A 878 GLN Q H H X TS+ 0 0 -62.4 -44.0 -177.2 39.7 115.0 26.1 140 -2.7 148 -0.6 0 0.0 0 0.0 10 39
145 A 879 ARG R H H < TS+ 0 0 -83.2 -14.2 -177.7 43.6 121.3 47.7 141 -2.4 0 0.0 0 0.0 0 0.0 7 23
146 A 880 THR T H H < TS+ 0 0 -95.2 -42.4 -170.1 27.2 122.8 28.0 142 -1.4 0 0.0 0 0.0 0 0.0 6 23
147 A 881 TYR Y H H < > TS+ 0 0 -111.7 13.5 -175.3 119.0 76.1 76.2 143 -2.6 150 -2.2 0 0.0 0 0.0 9 33
148 A 882 ALA A G h < > T + 0 0 -55.6 -27.8 176.9 72.1 64.8 43.7 144 -0.6 151 -1.4 0 0.0 0 0.0 8 32
149 A 883 HIS H G G 3 TS+ 0 0 -53.4 -32.5 -172.7 49.4 99.5 33.4 0 0.0 0 0.0 0 0.0 0 0.0 4 22
150 A 884 TYR Y G G < TS+ 0 0 -91.6 -4.0 -177.4 105.2 86.5 59.0 147 -2.2 0 0.0 0 0.0 0 0.0 6 35
151 A 885 PHE F g < T - 0 0 -83.8 135.3 171.3 -177.7 39.9 126.3 148 -1.4 0 0.0 0 0.0 0 0.0 10 44
152 A 886 ASP D S S S+ 0 0 -92.2 -26.5 -176.9 5.2 79.0 45.9 115 -2.9 0 0.0 0 0.0 0 0.0 8 36
153 A 887 LEU L E E Ag - 116 0 -155.9 144.9 172.8 -152.2 62.2 169.4 115 -1.4 117 -2.7 0 0.0 0 0.0 7 38
154 A 888 THR T E E Ag - 117 0 -121.4 133.8 174.4 -174.4 10.8 172.7 0 0.0 0 0.0 0 0.0 0 0.0 9 48
155 A 889 ILE I E E Ag - 118 0 -126.1 122.9 175.3 -141.0 19.9 172.6 117 -2.7 119 -2.6 0 0.0 157 -0.6 9 45
156 A 890 ILE I E E Ag - 119 0 -80.5 123.8 -172.9 -134.6 20.7 137.7 0 0.0 158 -2.0 0 0.0 0 0.0 10 42
157 A 891 ASN N e + 0 0 -84.0 58.2 176.6 129.2 61.3 106.9 119 -2.8 0 0.0 155 -0.6 0 0.0 12 45
158 A 892 ASN N S S S+ 0 0 -75.3 -35.4 178.9 26.0 81.9 35.2 156 -2.0 0 0.0 0 0.0 0 0.0 10 35
159 A 893 GLU E S h > TS- 0 0 -131.3 107.8 -169.1 -159.7 73.7 159.7 0 0.0 163 -2.1 0 0.0 0 0.0 6 28
160 A 894 ILE I H H > TS+ 0 0 -67.4 -29.8 175.0 54.3 90.9 34.5 0 0.0 164 -2.0 0 0.0 0 0.0 9 37
161 A 895 ASP D H H > TS+ 0 0 -66.8 -37.1 174.7 49.1 109.3 26.3 0 0.0 165 -2.2 0 0.0 0 0.0 6 27
162 A 896 GLU E H H > TS+ 0 0 -65.9 -38.2 178.0 55.4 107.1 28.2 0 0.0 166 -2.8 0 0.0 0 0.0 7 28
163 A 897 THR T H H X TS+ 0 0 -59.8 -44.9 177.6 47.8 109.0 20.7 159 -2.1 167 -2.3 0 0.0 0 0.0 12 40
164 A 898 ILE I H H X TS+ 0 0 -61.5 -45.3 177.9 49.5 111.7 22.5 160 -2.0 168 -2.4 0 0.0 0 0.0 10 42
165 A 899 ARG R H H X TS+ 0 0 -60.1 -43.7 -179.9 51.0 110.1 23.6 161 -2.2 169 -2.5 0 0.0 0 0.0 8 33
166 A 900 HIS H H H X TS+ 0 0 -62.1 -41.8 177.1 50.0 110.0 24.0 162 -2.8 170 -2.7 0 0.0 0 0.0 8 36
167 A 901 LEU L H H X TS+ 0 0 -62.6 -42.5 177.2 51.2 109.7 24.1 163 -2.3 171 -2.8 0 0.0 0 0.0 8 57
168 A 902 GLU E H H X TS+ 0 0 -58.9 -46.0 -178.3 45.2 113.0 22.2 164 -2.4 172 -2.3 0 0.0 0 0.0 9 45
169 A 903 GLU E H H X TS+ 0 0 -67.0 -40.9 180.0 49.1 113.5 25.4 165 -2.5 173 -1.6 0 0.0 0 0.0 8 27
170 A 904 ALA A H H X TS+ 0 0 -64.6 -44.5 179.2 47.9 112.3 20.5 166 -2.7 174 -3.1 0 0.0 0 0.0 9 37
171 A 905 VAL V H H X TS+ 0 0 -62.6 -41.7 178.6 56.2 107.3 24.5 167 -2.8 175 -2.0 0 0.0 0 0.0 8 46
172 A 906 GLU E H H < TS+ 0 0 -56.4 -38.6 -178.7 36.6 117.3 27.4 168 -2.3 0 0.0 0 0.0 0 0.0 7 25
173 A 907 LEU L H H < TS+ 0 0 -79.8 -51.5 -170.5 30.7 126.4 19.4 169 -1.6 0 0.0 0 0.0 0 0.0 6 24
174 A 908 VAL V H H < T 0 0 -88.9 -26.3 -179.0 999.9 999.9 42.7 170 -3.1 0 0.0 0 0.0 0 0.0 8 26
175 A 909 CYS C h < T 0 0 -92.4 999.9 999.9 999.9 999.9 113.8 171 -2.0 0 0.0 0 0.0 0 0.0 10 34
1kgdA.pdb
1KGD PROTEIN BINDING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE TTSSHHHHHHHHHHH TTTEE EE S TTTS EE HHHHHHHHHTT EEEEEEETTEEEEEEHHHHHHHHHTT EEEEE G Kabs/Sand
chirality +++----+--++-+++++++++++++++++-------+- -++-+--+--+++++++++-++--++-+--+--+---+++++++++-+-----+--+ chirality
bends SSSSSSSSSSSSSSS SSS S SSSS SSSSSSSSSSS S SS SSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTT TTTT TTTTTTTTTTTTT TT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >>3<< >> 3-turns
bridge-2 bbbbb EE FFFFFF cc bridge-2
bridge-1 aaaa cc dd dd F*FFFFF EE aaaa bridge-1
sheets AAAAA AA BB BB BBBBBBB BBBBBB AAAAA sheets
4-turns >>>>XXXXX<<444< >>>>XXX<<<< >>>>XXX<<<< 4-turns
summary eEEEEE tTTthHHHHHHHHHHHhTTeEE eEEeS tTTTt EEehHHHHHHHHHhTeEEEEEEETTEEEEEEHHHHHHHHHhTtEEEEEegG summary
sequence HMRKTLVLLGAHGVGRRHIKNTLITKHPDRFAYPIPHTTRPPEENGKNYYFVSHDQMMQDISNNEYLEYGSHEDAMYGTKLETIRKIHEQGLIAILDVEP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGHHHHSSTTT EEEEEEE S TTS SHHHHHHHHHHHHHHHHHGGG SEEEE SSHHHHHHHHHHHHHHH Kabs/Sand
chirality +++++++-++-----------+++++--+-++++++++++++++++++++-+----++-++++++++++++++ chirality
bends SSSSSSSSSSS S SSS SSSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >X<<< >33< >33< >>3<< 3-turns
bridge-2 gggg bridge-2
bridge-1 bbbbb gggg bridge-1
sheets AAAAAAA AAAA sheets
4-turns >>44<<>444< >>>>XXXXXXXXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary GhHHHHhtTTTeEEEEEEE S tTTt hHHHHHHHHHHHHHHHHHhGGgSEEEEeShHHHHHHHHHHHHHHHh summary
sequence QALKVLRTAEFAPFVVFIAAPTITPGLNEDESLQRLQKESDILQRTYAHYFDLTIINNEIDETIRHLEEAVELVC sequence
110 120 130 140 150 160 170
Messages
chain break between 42(A 773 ) and 43(A 777 )