Secondary structure calculation program - copyright by David Keith Smith, 1989
1iku-.pdb
1IKU CALCIUM-BINDING PROTEIN 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 2 GLY G 0 0 999.9 7.7 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38
2 3 ASN N h > T - 0 0 -162.5 144.8 179.9 -118.7 999.9 165.3 0 0.0 6 -0.8 0 0.0 0 0.0 8 34
3 4 SER S H H > > TS+ 0 0 -53.1 -37.2 180.0 67.3 110.2 29.3 0 0.0 6 -1.4 0 0.0 7 -1.3 10 32
4 5 LYS K H H > > TS+ 0 0 -48.7 -56.6 -180.0 53.5 94.9 17.9 0 0.0 7 -1.6 0 0.0 8 -1.4 7 36
5 6 SER S H H > 3 TS+ 0 0 -51.7 -23.0 180.0 62.3 102.6 39.8 0 0.0 9 -1.2 0 0.0 0 0.0 12 45
6 7 GLY G H H X < TS+ 0 0 -71.4 -37.2 180.0 54.1 98.6 27.6 3 -1.4 10 -1.8 2 -0.8 0 0.0 13 44
7 8 ALA A H H X X TS+ 0 0 -60.6 -54.0 180.0 53.2 103.9 14.0 4 -1.6 11 -1.7 3 -1.3 10 -0.7 10 38
8 9 LEU L H H X 3 TS+ 0 0 -49.6 -37.6 180.0 50.2 110.1 29.3 4 -1.4 12 -1.6 0 0.0 0 0.0 11 45
9 10 SER S H H X 3 TS+ 0 0 -71.1 -32.9 179.9 58.3 105.3 32.0 5 -1.2 13 -2.7 0 0.0 0 0.0 12 57
10 11 LYS K H H X < TS+ 0 0 -60.1 -64.3 180.0 40.8 108.7 6.3 6 -1.8 14 -1.2 7 -0.7 0 0.0 11 44
11 12 GLU E H H X TS+ 0 0 -51.9 -41.6 -180.0 46.9 121.1 26.7 7 -1.7 15 -2.4 0 0.0 0 0.0 8 39
12 13 ILE I H H X TS+ 0 0 -65.1 -68.7 -180.0 38.8 116.2 0.5 8 -1.6 16 -2.0 0 0.0 0 0.0 12 45
13 14 LEU L H H X TS+ 0 0 -59.3 -5.3 -180.0 59.4 117.0 53.7 9 -2.7 17 -0.5 0 0.0 0 0.0 12 49
14 15 GLU E H H < TS+ 0 0 -89.7 -48.4 180.0 40.0 106.1 25.4 10 -1.2 0 0.0 0 0.0 0 0.0 11 39
15 16 GLU E H H < TS+ 0 0 -71.0 -26.3 180.0 81.5 99.2 37.6 11 -2.4 0 0.0 0 0.0 0 0.0 8 31
16 17 LEU L H H < TS- 0 0 -40.7 -70.5 180.0 -84.5 120.3 20.8 12 -2.0 0 0.0 0 0.0 0 0.0 7 40
17 18 GLN Q S h < TS+ 0 0 178.5 -11.7 180.0 83.3 102.6 76.8 13 -0.5 0 0.0 0 0.0 0 0.0 8 33
18 19 LEU L - 0 0 -89.3 -155.1 180.0 -138.5 64.7 85.0 0 0.0 0 0.0 0 0.0 0 0.0 10 32
19 20 ASN N - 0 0 -171.2 73.8 179.9 -174.5 15.8 105.1 0 0.0 0 0.0 0 0.0 0 0.0 12 32
20 21 THR T - 0 0 -78.0 131.6 -179.9 -173.7 4.7 126.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
21 22 LYS K + 0 0 -93.3 -34.1 180.0 110.4 50.1 36.5 0 0.0 0 0.0 0 0.0 0 0.0 5 32
22 23 PHE F S S S- 0 0 -44.5 112.5 -180.0 -120.3 76.6 100.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
23 24 THR T h > > T - 0 0 -50.1 168.2 -180.0 -97.0 28.4 87.6 0 0.0 27 -1.3 0 0.0 26 -0.6 9 28
24 25 GLU E H H > 3 TS+ 0 0 -63.4 -20.8 180.0 65.7 123.2 41.4 0 0.0 28 -1.1 0 0.0 0 0.0 13 31
25 26 GLU E H H > 3 TS+ 0 0 -68.2 -40.9 -180.0 51.8 98.1 23.9 0 0.0 29 -1.8 0 0.0 0 0.0 9 26
26 27 GLU E H H > < TS+ 0 0 -60.2 -53.2 180.0 51.6 106.6 14.8 23 -0.6 30 -2.9 0 0.0 0 0.0 8 28
27 28 LEU L H H X TS+ 0 0 -53.9 -30.0 -180.0 60.0 105.9 34.2 23 -1.3 31 -2.8 0 0.0 0 0.0 11 40
28 29 SER S H H X TS+ 0 0 -63.6 -54.4 -179.9 36.0 111.0 12.8 24 -1.1 32 -1.7 0 0.0 0 0.0 12 36
29 30 SER S H H X TS+ 0 0 -67.2 -38.4 -179.9 47.4 122.0 27.1 25 -1.8 33 -1.7 0 0.0 0 0.0 8 26
30 31 TRP W H H X TS+ 0 0 -68.3 -50.7 -179.9 51.2 110.2 16.6 26 -2.9 34 -2.7 0 0.0 0 0.0 8 38
31 32 TYR Y H H X TS+ 0 0 -51.6 -64.6 -179.9 38.1 116.4 13.2 27 -2.8 35 -2.5 0 0.0 0 0.0 8 47
32 33 GLN Q H H X TS+ 0 0 -52.1 -61.0 -179.9 46.9 119.6 13.5 28 -1.7 36 -2.6 0 0.0 0 0.0 9 33
33 34 SER S H H X TS+ 0 0 -52.2 -29.7 -179.9 54.9 111.6 36.3 29 -1.7 37 -1.5 0 0.0 0 0.0 8 26
34 35 PHE F H H X TS+ 0 0 -71.9 -46.3 -180.0 37.1 113.9 19.3 30 -2.7 38 -1.7 0 0.0 0 0.0 8 32
35 36 LEU L H H < TS+ 0 0 -77.5 -19.9 180.0 62.2 112.0 43.5 31 -2.5 0 0.0 0 0.0 0 0.0 10 31
36 37 LYS K H H < TS+ 0 0 -71.8 -39.5 -180.0 41.5 107.8 25.8 32 -2.6 0 0.0 0 0.0 0 0.0 8 22
37 38 GLU E H H < TS+ 0 0 -73.6 -43.6 180.0 72.5 106.9 23.1 33 -1.5 0 0.0 0 0.0 0 0.0 6 19
38 39 CYS C S h < TS- 0 0 -67.6 163.9 179.9 -110.5 93.9 102.2 34 -1.7 0 0.0 0 0.0 0 0.0 9 22
39 40 PRO P S S S- 0 0 -58.4 -69.1 180.0 -39.3 88.3 6.8 0 0.0 0 0.0 0 0.0 0 0.0 7 19
40 41 SER S S S S- 0 0 -138.5 -11.9 180.0 -53.4 111.0 65.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
41 42 GLY G S e S+ 0 0 143.6 16.1 -180.0 141.6 85.9 65.3 0 0.0 82 -2.0 0 0.0 43 -0.5 10 34
42 43 ARG R E E AA + 81 0 -89.0 124.5 180.0 169.9 22.4 137.5 0 0.0 0 0.0 0 0.0 0 0.0 10 35
43 44 ILE I E E AA - 80 0 -128.7 165.3 -179.9 -128.9 23.8 148.3 80 -2.3 80 -1.7 41 -0.5 0 0.0 11 36
44 45 THR T h > > T - 0 0 -110.0 170.7 -179.9 -106.3 28.5 128.6 0 0.0 48 -2.9 0 0.0 47 -0.5 9 32
45 46 ARG R H H > 3 TS+ 0 0 -60.8 -52.2 -180.0 56.7 117.8 16.5 0 0.0 49 -2.3 0 0.0 0 0.0 8 33
46 47 GLN Q H H 4 3 TS+ 0 0 -51.9 -25.0 180.0 41.6 115.3 38.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
47 48 GLU E H H > X TS+ 0 0 -90.3 -46.6 -180.0 52.3 110.5 26.4 44 -0.5 51 -1.6 0 0.0 50 -0.6 8 29
48 49 PHE F H H X > TS+ 0 0 -55.5 -51.0 -180.0 55.4 105.4 18.3 44 -2.9 52 -2.7 0 0.0 51 -0.7 9 43
49 50 GLN Q H H X 3 TS+ 0 0 -52.6 -31.8 -180.0 53.4 106.5 33.3 45 -2.3 53 -1.3 0 0.0 0 0.0 9 34
50 51 THR T H H > < TS+ 0 0 -73.0 -34.1 180.0 46.2 110.1 30.4 47 -0.6 54 -1.6 0 0.0 0 0.0 8 26
51 52 ILE I H H X < TS+ 0 0 -74.4 -42.7 -180.0 47.5 113.2 23.5 47 -1.6 55 -2.4 48 -0.7 0 0.0 8 46
52 53 TYR Y H H X TS+ 0 0 -68.8 -26.0 -180.0 53.6 111.4 36.9 48 -2.7 56 -1.1 0 0.0 0 0.0 9 44
53 54 SER S H H < TS+ 0 0 -75.5 -41.8 180.0 38.5 114.1 24.7 49 -1.3 0 0.0 0 0.0 0 0.0 10 29
54 55 LYS K H H < TS+ 0 0 -76.6 -34.8 -180.0 51.8 116.4 30.5 50 -1.6 0 0.0 0 0.0 0 0.0 7 31
55 56 PHE F H H < TS+ 0 0 -70.9 -28.3 -179.9 23.9 126.3 35.9 51 -2.4 0 0.0 0 0.0 0 0.0 10 46
56 57 PHE F h < T + 0 0 -141.6 87.3 -180.0 164.9 66.9 134.4 52 -1.1 0 0.0 0 0.0 0 0.0 11 36
57 58 PRO P S t > TS+ 0 0 -64.0 -77.9 180.0 47.3 75.4 5.4 0 0.0 59 -2.6 0 0.0 60 -1.2 9 26
58 59 GLU E T T 3 TS+ 0 0 -67.6 79.2 180.0 73.9 99.2 113.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
59 60 ALA A T T 3 TS- 0 0 -166.2 -4.4 -180.0 -111.5 97.9 71.6 57 -2.6 0 0.0 0 0.0 0 0.0 10 27
60 61 ASP D t X T - 0 0 68.3 130.9 180.0 -95.9 31.9 53.8 57 -1.2 63 -1.0 0 0.0 0 0.0 8 24
61 62 PRO P T T 3 TS+ 0 0 -63.4 18.4 180.0 42.4 124.1 74.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
62 63 LYS K T T 3 TS+ 0 0 -159.2 51.4 -179.9 112.7 78.5 96.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
63 64 ALA A S t < TS- 0 0 -90.7 -91.6 180.0 -27.8 91.1 33.5 60 -1.0 0 0.0 0 0.0 0 0.0 7 29
64 65 TYR Y S t > TS+ 0 0 -91.8 -69.4 -180.0 53.2 133.4 23.5 0 0.0 67 -2.9 0 0.0 0 0.0 7 36
65 66 ALA A T h > 3 TS+ 0 0 -40.4 -21.2 -179.9 91.9 86.6 44.4 0 0.0 69 -1.8 0 0.0 0 0.0 8 50
66 67 GLN Q H H > 3 TS+ 0 0 -46.2 -35.9 179.9 46.2 87.8 31.4 0 0.0 70 -0.6 0 0.0 0 0.0 9 36
67 68 HIS H H H > X TS+ 0 0 -74.7 -45.9 -180.0 60.1 104.4 21.1 64 -2.9 71 -2.2 0 0.0 70 -1.0 7 36
68 69 VAL V H H > 3 TS+ 0 0 -45.8 -61.2 180.0 54.1 100.5 18.7 0 0.0 72 -1.8 0 0.0 0 0.0 11 42
69 70 PHE F H H X 3 TS+ 0 0 -44.5 -33.5 180.0 52.1 109.5 33.8 65 -1.8 73 -1.8 0 0.0 0 0.0 9 46
70 71 ARG R H H < < TS+ 0 0 -70.8 -48.4 180.0 56.8 102.0 18.2 67 -1.0 0 0.0 66 -0.6 0 0.0 7 37
71 72 SER S H H < TS+ 0 0 -48.1 -51.8 -180.0 46.7 109.3 21.6 67 -2.2 0 0.0 0 0.0 0 0.0 10 36
72 73 PHE F H H < TS- 0 0 -56.4 -58.1 -180.0 -175.2 86.8 12.4 68 -1.8 0 0.0 0 0.0 0 0.0 10 41
73 74 ASP D h < T - 0 0 59.7 101.0 179.9 -109.5 30.1 25.6 69 -1.8 0 0.0 0 0.0 0 0.0 7 33
74 75 ALA A + 0 0 -51.1 169.2 179.9 176.4 37.1 88.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
75 76 ASN N + 0 0 -165.4 21.5 180.0 42.4 58.3 78.8 79 -0.6 0 0.0 0 0.0 0 0.0 6 17
76 77 SER S S t > TS- 0 0 -175.4 126.4 180.0 -15.0 122.3 140.2 0 0.0 79 -1.7 0 0.0 0 0.0 5 14
77 78 ASP D T T 3 TS- 0 0 54.9 0.6 -180.0 -85.1 109.9 56.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
78 79 GLY G T T 3 TS+ 0 0 68.7 46.7 -180.0 119.9 96.8 19.9 0 0.0 0 0.0 0 0.0 0 0.0 8 21
79 80 THR T t < T - 0 0 -135.6 170.6 -180.0 -162.5 41.8 149.0 76 -1.7 75 -0.6 0 0.0 0 0.0 11 28
80 81 LEU L E E AA - 43 0 -155.8 150.1 180.0 -94.0 31.5 174.4 43 -1.7 43 -2.3 0 0.0 0 0.0 11 38
81 82 ASP D E E >AA T - 42 0 -65.0 139.2 -179.9 -164.4 28.4 112.0 0 0.0 85 -0.6 0 0.0 0 0.0 10 44
82 83 PHE F H H > TS+ 0 0 -91.5 -50.1 -180.0 56.6 81.6 25.6 41 -2.0 86 -2.7 0 0.0 0 0.0 9 52
83 84 LYS K H H > TS+ 0 0 -47.7 -50.8 180.0 45.6 111.3 22.2 0 0.0 87 -2.5 0 0.0 0 0.0 7 57
84 85 GLU E H H > TS+ 0 0 -60.9 -44.2 179.9 54.8 109.5 21.4 0 0.0 88 -2.9 0 0.0 0 0.0 9 49
85 86 TYR Y H H X TS+ 0 0 -56.3 -39.9 179.9 47.3 111.0 25.1 81 -0.6 89 -2.5 0 0.0 0 0.0 12 54
86 87 VAL V H H X TS+ 0 0 -65.3 -61.5 180.0 47.0 111.4 7.2 82 -2.7 90 -2.6 0 0.0 0 0.0 8 64
87 88 ILE I H H X TS+ 0 0 -46.1 -50.7 179.8 50.3 113.5 22.2 83 -2.5 91 -2.8 0 0.0 0 0.0 11 56
88 89 ALA A H H < TS+ 0 0 -53.9 -50.4 179.9 52.9 108.6 16.8 84 -2.9 0 0.0 0 0.0 0 0.0 12 55
89 90 LEU L H H < TS+ 0 0 -48.7 -59.9 180.0 36.3 117.7 16.5 85 -2.5 0 0.0 0 0.0 0 0.0 10 58
90 91 HIS H H H < > TS+ 0 0 -58.0 -66.2 -179.9 63.9 109.8 8.1 86 -2.6 93 -2.0 0 0.0 92 -0.8 11 59
91 92 MET M T h < 3 TS+ 0 0 -67.2 104.7 179.9 28.1 110.6 120.3 87 -2.8 0 0.0 0 0.0 0 0.0 11 57
92 93 THR T T T 3 TS+ 0 0 131.7 -20.2 -179.9 111.4 80.1 89.1 90 -0.8 0 0.0 0 0.0 0 0.0 11 48
93 94 SER S S t < TS- 0 0 -57.3 -8.6 179.9 -120.1 86.9 50.8 90 -2.0 0 0.0 0 0.0 0 0.0 8 44
94 95 ALA A + 0 0 68.2 104.7 180.0 115.5 62.9 30.7 0 0.0 0 0.0 0 0.0 0 0.0 5 33
95 96 GLY G - 0 0 -170.7 -159.7 -180.0 -27.9 63.3 152.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
96 97 LYS K - 0 0 -58.7 -173.8 -180.0 -126.1 55.1 82.7 0 0.0 0 0.0 0 0.0 0 0.0 6 33
97 98 THR T S h > > TS+ 0 0 -101.4 -81.7 -180.0 44.5 98.1 36.5 0 0.0 100 -2.0 0 0.0 101 -1.7 9 38
98 99 ASN N H H > 3 TS+ 0 0 -36.8 -27.4 -180.0 71.2 106.2 41.5 0 0.0 102 -1.6 0 0.0 0 0.0 9 41
99 100 GLN Q H H > 3 TS+ 0 0 -59.6 -50.4 -179.9 31.7 106.2 17.9 0 0.0 103 -0.6 0 0.0 0 0.0 10 44
100 101 LYS K H H > < TS+ 0 0 -78.6 -27.8 -180.0 54.7 121.0 36.6 97 -2.0 104 -1.9 0 0.0 0 0.0 13 55
101 102 LEU L H H X > TS+ 0 0 -67.6 -72.3 -180.0 46.4 104.8 2.7 97 -1.7 105 -2.6 0 0.0 104 -1.1 10 61
102 103 GLU E H H X 3 TS+ 0 0 -42.0 -27.0 179.9 51.7 116.7 38.5 98 -1.6 106 -1.3 0 0.0 0 0.0 10 49
103 104 TRP W H H X 3 TS+ 0 0 -79.7 -39.5 -180.0 46.6 109.5 27.4 99 -0.6 107 -1.9 0 0.0 0 0.0 12 57
104 105 ALA A H H X < TS+ 0 0 -67.9 -47.0 -179.9 46.3 114.3 18.8 100 -1.9 108 -1.6 101 -1.1 0 0.0 9 67
105 106 PHE F H H X TS+ 0 0 -62.8 -39.3 179.9 47.6 115.1 25.1 101 -2.6 109 -1.2 0 0.0 0 0.0 11 60
106 107 SER S H H < TS+ 0 0 -70.3 -31.4 180.0 59.7 105.7 32.6 102 -1.3 0 0.0 0 0.0 0 0.0 12 47
107 108 LEU L H H < TS+ 0 0 -64.5 -36.3 -179.9 41.4 110.1 28.9 103 -1.9 0 0.0 0 0.0 0 0.0 9 58
108 109 TYR Y H H < TS+ 0 0 -84.0 -19.4 179.9 83.7 94.5 45.4 104 -1.6 110 -2.3 0 0.0 0 0.0 9 53
109 110 ASP D h < T + 0 0 -79.3 55.6 -179.9 156.0 58.9 105.9 105 -1.2 0 0.0 0 0.0 0 0.0 12 39
110 111 VAL V - 0 0 -44.9 -91.2 -179.8 -51.3 64.4 21.6 108 -2.3 0 0.0 0 0.0 0 0.0 8 33
111 112 ASP D S S S+ 0 0 -159.6 93.2 -180.0 67.9 106.5 127.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
112 113 GLY G S S S- 0 0 -164.2 -85.0 180.0 -20.7 102.3 94.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
113 114 ASN N S S S- 0 0 -108.7 -83.3 -179.9 -104.3 76.6 44.1 0 0.0 0 0.0 0 0.0 0 0.0 5 20
114 115 GLY G S e S+ 0 0 154.0 40.0 -179.9 90.9 76.9 68.2 0 0.0 168 -0.6 0 0.0 0 0.0 8 29
115 116 THR T E E BB - 167 0 -146.2 170.1 180.0 -136.4 55.0 158.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
116 117 ILE I E E BB - 166 0 -133.1 141.5 -179.8 -141.3 16.8 171.7 166 -1.5 166 -1.6 0 0.0 0 0.0 12 43
117 118 SER S h > > T - 0 0 -98.7 170.9 -180.0 -103.6 29.2 118.5 0 0.0 121 -1.5 0 0.0 120 -0.5 10 40
118 119 LYS K H H > > TS+ 0 0 -55.3 -56.6 -179.9 59.4 118.4 15.5 0 0.0 122 -2.2 0 0.0 121 -0.9 12 44
119 120 ASN N H H > 3 TS+ 0 0 -43.0 -34.8 180.0 55.2 104.0 33.4 0 0.0 123 -2.1 0 0.0 0 0.0 6 35
120 121 GLU E H H > < TS+ 0 0 -67.1 -44.5 179.9 51.5 104.3 20.6 117 -0.5 124 -1.8 0 0.0 0 0.0 9 45
121 122 VAL V H H X < TS+ 0 0 -56.6 -48.3 180.0 51.8 108.7 18.2 117 -1.5 125 -2.5 118 -0.9 0 0.0 10 62
122 123 LEU L H H X TS+ 0 0 -54.4 -47.8 180.0 58.4 102.9 21.8 118 -2.2 126 -2.5 0 0.0 0 0.0 12 48
123 124 GLU E H H X TS+ 0 0 -49.9 -44.9 179.9 45.5 109.4 24.4 119 -2.1 127 -1.3 0 0.0 0 0.0 8 42
124 125 ILE I H H X > TS+ 0 0 -63.2 -59.4 -180.0 50.0 110.8 7.3 120 -1.8 127 -1.7 0 0.0 128 -1.7 11 58
125 126 VAL V H H X 3 TS+ 0 0 -49.9 -28.3 179.9 55.4 109.3 37.0 121 -2.5 129 -2.3 0 0.0 0 0.0 13 54
126 127 THR T H H X 3 TS+ 0 0 -75.2 -30.1 179.9 56.5 102.1 33.6 122 -2.5 130 -1.7 0 0.0 0 0.0 9 47
127 128 ALA A H H X < TS+ 0 0 -68.1 -38.3 -180.0 39.3 113.2 27.5 124 -1.7 131 -1.2 123 -1.3 0 0.0 12 52
128 129 ILE I H H X TS+ 0 0 -78.2 -47.8 -179.9 53.2 112.6 20.1 124 -1.7 132 -1.3 0 0.0 0 0.0 12 57
129 130 PHE F H H < TS+ 0 0 -54.5 -37.1 179.7 45.4 113.9 27.5 125 -2.3 0 0.0 0 0.0 0 0.0 11 52
130 131 LYS K H H < TS+ 0 0 -73.8 -34.2 179.8 62.9 103.4 30.5 126 -1.7 0 0.0 0 0.0 0 0.0 9 49
131 132 MET M H H < TS+ 0 0 -60.1 -23.3 180.0 80.5 94.4 39.1 127 -1.2 0 0.0 0 0.0 0 0.0 10 49
132 133 ILE I S h < TS- 0 0 -86.1 142.8 179.9 -118.5 88.9 128.5 128 -1.3 0 0.0 0 0.0 0 0.0 10 43
133 134 SER S t > > T - 0 0 -81.4 143.3 180.0 -115.0 23.8 125.8 0 0.0 137 -1.7 0 0.0 136 -0.7 8 28
134 135 PRO P T T 4 3 TS+ 0 0 -52.5 -4.2 179.9 60.0 116.8 55.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
135 136 GLU E T g 4 > TS+ 0 0 -91.1 -49.5 -179.9 37.6 106.9 26.7 0 0.0 138 -0.9 0 0.0 0 0.0 7 18
136 137 ASP D G G > X TS+ 0 0 -77.8 -9.9 180.0 74.3 104.3 52.6 133 -0.7 139 -0.9 0 0.0 140 -0.8 8 23
137 138 THR T G G < 3 TS+ 0 0 -73.9 -21.4 180.0 64.0 85.2 41.7 133 -1.7 0 0.0 0 0.0 0 0.0 9 26
138 139 LYS K G G 4 < TS+ 0 0 -75.5 -13.6 179.9 56.0 98.5 49.0 135 -0.9 0 0.0 0 0.0 0 0.0 6 18
139 140 HIS H T g 4 < TS+ 0 0 -87.6 -28.6 -180.0 101.0 84.1 39.1 136 -0.9 0 0.0 0 0.0 0 0.0 6 17
140 141 LEU L S t < TS- 0 0 -55.4 150.0 179.9 -97.0 84.9 100.4 136 -0.8 0 0.0 0 0.0 0 0.0 9 28
141 142 PRO P - 0 0 -56.3 -176.7 -179.9 -106.9 32.9 80.8 0 0.0 0 0.0 0 0.0 0 0.0 6 23
142 143 GLU E S t > TS+ 0 0 -90.0 -22.5 -179.9 74.5 109.8 43.9 0 0.0 145 -1.6 0 0.0 0 0.0 5 20
143 144 ASP D T T 3 TS+ 0 0 -77.7 27.8 180.0 51.1 97.7 84.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
144 145 GLU E T T 3 T + 0 0 -145.4 13.4 -179.9 137.4 62.5 79.4 0 0.0 0 0.0 0 0.0 0 0.0 10 38
145 146 ASN N S t < TS- 0 0 -32.3 -47.9 -179.9 -1.2 79.7 36.4 142 -1.6 0 0.0 0 0.0 0 0.0 9 32
146 147 THR T S h > > TS- 0 0 -150.5 155.9 179.9 -110.1 70.2 174.3 0 0.0 150 -2.2 0 0.0 149 -0.5 7 36
147 148 PRO P H H > 3 TS+ 0 0 -57.8 -13.1 -179.9 64.1 115.0 49.9 0 0.0 151 -1.3 0 0.0 0 0.0 11 42
148 149 GLU E H H > 3 TS+ 0 0 -78.9 -49.0 180.0 33.6 108.3 20.1 0 0.0 152 -1.9 0 0.0 0 0.0 7 30
149 150 LYS K H H > < TS+ 0 0 -77.1 -24.3 -180.0 53.1 120.5 38.6 146 -0.5 153 -1.5 0 0.0 0 0.0 10 32
150 151 ARG R H H X TS+ 0 0 -78.0 -35.9 180.0 42.2 112.5 29.8 146 -2.2 154 -1.6 0 0.0 0 0.0 13 42
151 152 ALA A H H X TS+ 0 0 -77.6 -38.8 180.0 54.5 111.8 26.7 147 -1.3 155 -2.2 0 0.0 0 0.0 13 50
152 153 GLU E H H X TS+ 0 0 -59.1 -48.6 179.9 47.3 109.7 18.0 148 -1.9 156 -2.4 0 0.0 0 0.0 10 38
153 154 LYS K H H X TS+ 0 0 -57.5 -52.2 179.9 52.1 109.8 15.9 149 -1.5 157 -0.8 0 0.0 0 0.0 8 40
154 155 ILE I H H X > TS+ 0 0 -52.2 -38.0 180.0 50.9 110.1 28.8 150 -1.6 158 -1.7 0 0.0 157 -0.6 12 54
155 156 TRP W H H X 3>TS+ 0 0 -67.6 -42.5 179.9 49.8 108.1 23.1 151 -2.2 159 -1.4 0 0.0 160 -0.7 13 46
156 157 GLY G H H < 35TS+ 0 0 -72.8 -4.4 -180.0 57.6 111.0 55.9 152 -2.4 0 0.0 0 0.0 0 0.0 10 35
157 158 PHE F H H < <5TS+ 0 0 -89.4 -70.1 -180.0 3.5 127.3 20.4 153 -0.8 0 0.0 154 -0.6 0 0.0 8 37
158 159 PHE F H H < 5TS+ 0 0 -94.7 -7.6 179.9 67.9 124.5 56.3 154 -1.7 0 0.0 0 0.0 0 0.0 11 42
159 160 GLY G T h < 5T - 0 0 -77.2 -38.4 -180.0 -175.8 66.7 27.7 155 -1.4 0 0.0 0 0.0 0 0.0 12 41
160 161 LYS K t BB T - 115 0 -94.1 170.3 -180.0 -98.2 33.6 118.2 0 0.0 171 -2.7 0 0.0 0 0.0 9 37
168 169 GLU E H H > TS+ 0 0 -50.9 -59.3 -180.0 36.5 124.2 15.6 114 -0.6 172 -1.9 0 0.0 0 0.0 11 41
169 170 LYS K H H > TS+ 0 0 -59.3 -58.4 -180.0 55.7 114.1 12.0 0 0.0 173 -2.8 0 0.0 0 0.0 6 32
170 171 GLU E H H > TS+ 0 0 -39.5 -56.9 180.0 50.7 107.3 25.1 0 0.0 174 -2.0 0 0.0 0 0.0 9 38
171 172 PHE F H H X TS+ 0 0 -49.7 -52.3 180.0 42.0 115.7 20.6 167 -2.7 175 -1.7 0 0.0 0 0.0 12 52
172 173 ILE I H H X > TS+ 0 0 -60.4 -61.6 180.0 44.7 117.1 7.8 168 -1.9 176 -2.4 0 0.0 175 -0.8 11 44
173 174 GLU E H H X 3 TS+ 0 0 -56.8 -17.1 -179.9 64.0 108.4 44.9 169 -2.8 177 -1.5 0 0.0 0 0.0 8 33
174 175 GLY G H H X 3 TS+ 0 0 -74.4 -43.9 -180.0 34.3 109.6 21.9 170 -2.0 178 -1.5 0 0.0 0 0.0 10 43
175 176 THR T H H < < TS+ 0 0 -77.8 -40.5 -179.9 48.1 121.0 27.0 171 -1.7 182 -0.5 172 -0.8 0 0.0 13 43
176 177 LEU L H H < TS+ 0 0 -67.0 -43.9 -179.9 45.6 114.4 22.4 172 -2.4 0 0.0 0 0.0 0 0.0 10 30
177 178 ALA A H H < TS+ 0 0 -65.0 -51.4 -179.9 46.3 115.9 15.6 173 -1.5 0 0.0 0 0.0 0 0.0 6 24
178 179 ASN N h X T - 0 0 -97.0 129.7 179.9 -160.6 65.3 143.5 174 -1.5 182 -1.3 0 0.0 0 0.0 8 28
179 180 LYS K H H > TS+ 0 0 -75.3 -32.5 179.9 62.2 88.3 32.7 0 0.0 183 -1.8 0 0.0 0 0.0 8 27
180 181 GLU E H H > > TS+ 0 0 -55.9 -64.4 180.0 45.9 103.6 8.7 0 0.0 184 -1.3 0 0.0 183 -1.2 7 32
181 182 ILE I H H > > TS+ 0 0 -44.4 -50.7 -179.9 56.0 109.7 24.3 0 0.0 185 -1.6 0 0.0 184 -1.5 12 43
182 183 LEU L H H X 3 TS+ 0 0 -52.3 -37.6 -180.0 43.0 111.7 29.7 178 -1.3 186 -1.8 175 -0.5 0 0.0 11 46
183 184 ARG R H H < < TS+ 0 0 -85.3 -9.0 180.0 50.5 115.1 54.5 179 -1.8 0 0.0 180 -1.2 0 0.0 9 46
184 185 LEU L H H < < TS+ 0 0 -102.8 -8.4 -179.8 34.2 120.0 58.9 181 -1.5 0 0.0 180 -1.3 0 0.0 12 51
185 186 ILE I H H < TS+ 0 0 -112.0 -46.3 -179.9 65.6 104.6 39.8 181 -1.6 187 -1.5 0 0.0 0 0.0 10 68
186 187 GLN Q S h < TS- 0 0 -83.9 87.8 179.9 -94.3 109.0 126.3 182 -1.8 0 0.0 0 0.0 0 0.0 10 53
187 188 PHE F 0 0 40.6 -132.7 180.0 999.9 999.9 93.6 185 -1.5 0 0.0 0 0.0 0 0.0 10 55
188 189 GLU E 0 0 -65.4 999.9 999.9 999.9 999.9 6.7 0 0.0 0 0.0 0 0.0 0 0.0 7 45
1iku-.pdb
1IKU CALCIUM-BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHS S HHHHHHHHHHHHHHSSSSEE HHHHHHHHHHH STT TTSSTHHHHHHH STT EEHHHHHHHHHTTS SHHH Kabs/Sand
chirality -+++++++++++++-+---+--++++++++++++++---++--++++++++++++++--++-++++++++--++--+---+++++++++++-+--++++ chirality
bends SSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS SSSSSSSSSSS SSS SSSSSSSSSSSS SSS SSSSSSSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >>333< >33X>3<< >33X33<>33X33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AA AA bridge-1
sheets AA AA sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXXX<<<< >>4>XX>XX<<<< >>>>X<<<< >>>>XXX<<<< >>>> 4-turns
summary hHHHHHHHHHHHHHHh ShHHHHHHHHHHHHHHhSSeEEhHHHHHHHHHHHhtTTtTTtthHHHHHHHh tTTtEEHHHHHHHHHhTt hHHH summary
sequence GNSKSGALSKEILEELQLNTKFTEEELSSWYQSFLKECPSGRITRQEFQTIYSKFFPEADPKAYAQHVFRSFDANSDGTLDFKEYVIALHMTSAGKTNQK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHH SSSSEE HHHHHHHHHHHHHHS TTGGGTS STTSSHHHHHHHHHHHHT SSS EEHHHHHHHHHH HHHHHHHS Kabs/Sand
chirality +++++++++-+--+---++++++++++++++--++++++--+++--++++++++++++-+--+----++++++++++-+++++++- chirality
bends SSSSSSSS SSSS SSSSSSSSSSSSSSS SSSSSSS SS SSSSSSSSSSSSSS SSS SSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >3>X3<< >33<>33< >33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 BB BB bridge-1
sheets BB BB sheets
4-turns XXXXX<<<< >>>>XXXXXXXX<<<<>44><44< >>>>XXXXXX<<<< >>>>XXXX<<>>X<<<< 4-turns
summary HHHHHHHHh SSSeEEhHHHHHHHHHHHHHHhtTgGGGgt tTTthHHHHHHHHHHHHhtSSS EEHHHHHHHHHHhHHHHHHHh summary
sequence LEWAFSLYDVDGNGTISKNEVLEIVTAIFKMISPEDTKHLPEDENTPEKRAEKIWGFFGKKDDDKLTEKEFIEGTLANKEILRLIQFE sequence
110 120 130 140 150 160 170 180