Secondary structure calculation program - copyright by David Keith Smith, 1989
1bjfA.pdb
1BJF CALCIUM-BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 181
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 5 ASN N 0 0 999.9 53.5 -179.8 999.9 999.9 999.9 0 0.0 3 -1.1 0 0.0 0 0.0 2 14
2 A 6 SER S + 0 0 41.6 -80.2 -179.8 175.6 999.9 96.9 0 0.0 0 0.0 0 0.0 0 0.0 4 25
3 A 7 LYS K - 0 0 45.4 102.9 179.0 -120.8 35.5 23.5 1 -1.1 5 -0.7 0 0.0 0 0.0 4 26
4 A 8 LEU L - 0 0 -70.6 113.3 -179.4 -109.6 35.7 129.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
5 A 9 ARG R h > > T - 0 0 -49.1 112.9 -179.2 -132.7 25.9 104.9 3 -0.7 8 -1.7 0 0.0 9 -1.1 6 23
6 A 10 PRO P H H > 3 TS+ 0 0 -39.3 -34.6 -179.7 65.9 100.9 45.9 0 0.0 10 -0.7 0 0.0 0 0.0 6 20
7 A 11 GLU E H H > > TS+ 0 0 -61.1 -45.0 -179.7 44.1 103.2 23.5 0 0.0 11 -1.0 0 0.0 10 -0.8 6 17
8 A 12 VAL V H H > < TS+ 0 0 -71.3 -29.7 179.4 65.4 103.3 35.8 5 -1.7 12 -2.5 0 0.0 0 0.0 9 29
9 A 13 MET M H H X 3 TS+ 0 0 -63.4 -22.4 179.7 52.0 101.9 44.3 5 -1.1 13 -0.7 0 0.0 0 0.0 11 33
10 A 14 GLN Q H H X < TS+ 0 0 -81.6 -41.2 178.8 46.7 109.4 30.8 7 -0.8 14 -1.7 6 -0.7 0 0.0 8 26
11 A 15 ASP D H H X TS+ 0 0 -64.2 -54.0 -179.1 47.9 113.3 14.4 7 -1.0 15 -2.6 0 0.0 0 0.0 8 27
12 A 16 LEU L H H X TS+ 0 0 -57.2 -31.1 -179.3 52.9 111.2 36.6 8 -2.5 16 -1.5 0 0.0 0 0.0 13 37
13 A 17 LEU L H H < TS+ 0 0 -72.6 -39.8 -179.5 40.1 114.6 27.6 9 -0.7 0 0.0 0 0.0 0 0.0 11 35
14 A 18 GLU E H H < TS+ 0 0 -81.3 -24.5 -179.1 48.8 118.8 42.7 10 -1.7 0 0.0 0 0.0 0 0.0 6 23
15 A 19 SER S H H < TS+ 0 0 -90.3 -20.1 -177.5 36.2 113.5 46.9 11 -2.6 0 0.0 0 0.0 0 0.0 7 32
16 A 20 THR T S h < TS- 0 0 -120.3 -164.4 177.9 -120.4 70.5 111.1 12 -1.5 0 0.0 0 0.0 0 0.0 8 36
17 A 21 ASP D S S S+ 0 0 -116.2 -4.8 179.5 118.3 75.5 76.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
18 A 22 PHE F - 0 0 -69.2 132.8 179.8 -131.1 62.3 121.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
19 A 23 THR T h > T - 0 0 -74.7 179.6 -179.9 -98.6 26.5 97.1 0 0.0 23 -2.0 0 0.0 0 0.0 7 25
20 A 24 GLU E H H > TS+ 0 0 -67.2 -45.0 179.5 42.1 123.9 24.2 0 0.0 24 -1.1 0 0.0 0 0.0 8 27
21 A 25 HIS H H H > TS+ 0 0 -69.9 -42.5 179.0 54.4 112.1 23.4 0 0.0 25 -1.7 0 0.0 0 0.0 6 21
22 A 26 GLU E H H > TS+ 0 0 -55.9 -48.7 -179.9 49.3 108.2 22.1 0 0.0 26 -2.2 0 0.0 0 0.0 8 30
23 A 27 ILE I H H X TS+ 0 0 -61.0 -31.5 179.9 52.4 109.5 38.0 19 -2.0 27 -1.3 0 0.0 0 0.0 11 40
24 A 28 GLN Q H H X TS+ 0 0 -75.5 -27.3 179.5 53.3 107.7 38.1 20 -1.1 28 -1.0 0 0.0 0 0.0 9 34
25 A 29 GLU E H H X TS+ 0 0 -72.3 -46.6 179.6 49.1 107.4 21.8 21 -1.7 29 -1.9 0 0.0 0 0.0 8 27
26 A 30 TRP W H H X TS+ 0 0 -62.4 -34.3 178.9 60.1 103.8 32.7 22 -2.2 30 -0.7 0 0.0 0 0.0 9 40
27 A 31 TYR Y H H X TS+ 0 0 -61.5 -35.9 178.6 49.0 106.2 30.1 23 -1.3 31 -2.2 0 0.0 0 0.0 10 42
28 A 32 LYS K H H X TS+ 0 0 -64.8 -57.0 -179.7 46.2 112.2 13.8 24 -1.0 32 -0.9 0 0.0 0 0.0 8 29
29 A 33 GLY G H H X TS+ 0 0 -64.5 -6.8 -179.9 50.8 115.0 58.6 25 -1.9 33 -0.6 0 0.0 0 0.0 8 27
30 A 34 PHE F H H X TS+ 0 0 -98.5 -43.1 179.8 48.8 106.1 35.1 26 -0.7 34 -2.5 0 0.0 0 0.0 11 36
31 A 35 LEU L H H < TS+ 0 0 -74.2 -9.0 177.8 53.5 112.0 55.0 27 -2.2 0 0.0 0 0.0 0 0.0 11 29
32 A 36 ARG R H H < TS+ 0 0 -87.6 -54.0 179.1 32.8 116.8 24.2 28 -0.9 0 0.0 0 0.0 0 0.0 7 22
33 A 37 ASP D H H < TS+ 0 0 -69.4 -37.8 178.9 25.9 138.2 29.8 29 -0.6 0 0.0 0 0.0 0 0.0 6 26
34 A 38 CYS C S h < > TS+ 0 0 -130.3 83.9 -179.6 177.2 70.1 138.0 30 -2.5 37 -1.6 0 0.0 0 0.0 9 30
35 A 39 PRO P T T 3 TS+ 0 0 -54.9 -33.9 179.0 58.5 82.8 41.4 0 0.0 0 0.0 0 0.0 0 0.0 8 25
36 A 40 SER S T T 3 TS- 0 0 -71.4 -20.0 -179.7 -130.4 107.5 43.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
37 A 41 GLY G S e < TS+ 0 0 76.6 18.8 179.9 98.3 76.2 46.7 34 -1.6 78 -0.8 0 0.0 0 0.0 9 35
38 A 42 HIS H E E AA - 77 0 -140.1 131.5 177.5 -148.0 61.7 174.5 0 0.0 0 0.0 0 0.0 0 0.0 10 40
39 A 43 LEU L E E AA - 76 0 -100.6 129.7 178.6 -152.0 15.9 149.2 76 -1.8 76 -1.8 0 0.0 0 0.0 10 43
40 A 44 SER S E E >AA T - 75 0 -92.3 167.1 178.7 -104.0 30.9 121.2 0 0.0 44 -3.3 0 0.0 0 0.0 9 39
41 A 45 MET M H H > TS+ 0 0 -51.2 -57.7 179.9 45.7 124.5 14.7 74 -0.5 45 -3.8 0 0.0 0 0.0 10 36
42 A 46 GLU E H H > TS+ 0 0 -52.7 -49.7 179.9 49.0 114.7 22.5 0 0.0 46 -2.5 0 0.0 0 0.0 6 27
43 A 47 GLU E H H > TS+ 0 0 -55.5 -57.9 179.8 39.9 116.4 19.5 0 0.0 47 -0.8 0 0.0 0 0.0 8 36
44 A 48 PHE F H H X > TS+ 0 0 -58.6 -45.1 -179.4 53.2 115.2 23.8 40 -3.3 48 -2.7 0 0.0 47 -1.1 11 42
45 A 49 LYS K H H X 3 TS+ 0 0 -59.4 -34.4 179.7 51.2 108.3 29.8 41 -3.8 49 -0.9 0 0.0 0 0.0 11 37
46 A 50 LYS K H H < 3 TS+ 0 0 -77.5 -14.6 -180.0 47.7 112.5 50.4 42 -2.5 0 0.0 0 0.0 0 0.0 8 32
47 A 51 ILE I H H < X TS+ 0 0 -92.0 -44.9 -179.9 51.5 106.6 31.1 44 -1.1 50 -0.8 43 -0.8 0 0.0 8 35
48 A 52 TYR Y H H X > TS+ 0 0 -64.4 -24.4 179.0 60.1 105.8 41.6 44 -2.7 52 -0.8 0 0.0 51 -0.6 11 41
49 A 53 GLY G T h < 3 TS+ 0 0 -73.6 -27.3 178.9 62.9 93.3 40.4 45 -0.9 0 0.0 0 0.0 0 0.0 12 31
50 A 54 ASN N T T 4 < TS+ 0 0 -70.4 -15.3 179.3 62.4 96.6 50.5 47 -0.8 0 0.0 0 0.0 0 0.0 7 23
51 A 55 PHE F T T 4 < TS+ 0 0 -75.0 -47.5 178.8 27.0 115.4 24.3 48 -0.6 0 0.0 0 0.0 0 0.0 6 26
52 A 56 PHE F S t < TS+ 0 0 -114.3 68.4 -179.9 164.6 70.5 129.9 48 -0.8 0 0.0 0 0.0 0 0.0 11 27
53 A 57 PRO P S S S+ 0 0 -57.2 -22.1 178.5 60.4 74.0 39.4 0 0.0 55 -0.8 0 0.0 0 0.0 7 20
54 A 58 TYR Y S S S+ 0 0 -108.1 87.9 -179.5 21.8 108.9 146.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
55 A 59 GLY G S S S- 0 0 132.7 153.3 -179.9 -66.4 93.3 113.0 53 -0.8 0 0.0 0 0.0 0 0.0 8 26
56 A 60 ASP D + 0 0 -73.1 131.9 -179.4 151.0 49.5 121.0 126 -0.6 0 0.0 0 0.0 0 0.0 10 29
57 A 61 ALA A h > T + 0 0 -141.2 4.1 -178.1 103.9 39.8 70.9 0 0.0 61 -1.8 0 0.0 0 0.0 13 38
58 A 62 SER S H H > TS+ 0 0 -60.7 -39.5 -178.9 45.7 83.1 34.1 0 0.0 62 -0.9 0 0.0 0 0.0 9 37
59 A 63 LYS K H H > TS+ 0 0 -73.2 -44.0 179.3 47.8 112.6 27.4 0 0.0 63 -1.0 0 0.0 0 0.0 8 41
60 A 64 PHE F H H > TS+ 0 0 -65.1 -39.9 179.4 61.9 104.1 28.9 0 0.0 64 -2.2 0 0.0 0 0.0 10 48
61 A 65 ALA A H H X TS+ 0 0 -53.7 -40.2 178.9 56.0 100.1 27.7 57 -1.8 65 -2.0 0 0.0 0 0.0 12 49
62 A 66 GLU E H H X TS+ 0 0 -59.8 -43.9 -179.9 49.6 106.2 27.1 58 -0.9 66 -3.1 0 0.0 0 0.0 10 43
63 A 67 HIS H H H X TS+ 0 0 -64.3 -45.8 179.6 46.1 112.2 21.3 59 -1.0 67 -2.8 0 0.0 0 0.0 9 53
64 A 68 VAL V H H X TS+ 0 0 -68.1 -26.9 178.6 49.9 114.3 34.1 60 -2.2 68 -2.0 0 0.0 0 0.0 9 61
65 A 69 PHE F H H X TS+ 0 0 -71.8 -49.2 179.6 48.9 110.8 18.3 61 -2.0 69 -1.0 0 0.0 0 0.0 11 52
66 A 70 ARG R H H < > TS+ 0 0 -54.1 -46.6 -178.7 45.5 114.6 23.6 62 -3.1 69 -0.6 0 0.0 0 0.0 8 44
67 A 71 THR T H H < 3 TS+ 0 0 -68.5 -34.9 -177.2 45.3 116.2 28.4 63 -2.8 0 0.0 0 0.0 0 0.0 10 49
68 A 72 PHE F H H < 3 TS+ 0 0 -92.9 1.4 177.1 91.1 85.7 66.5 64 -2.0 70 -1.2 0 0.0 0 0.0 10 49
69 A 73 ASP D h < < T - 0 0 -97.1 84.2 -178.9 -177.7 57.9 137.7 65 -1.0 0 0.0 66 -0.6 0 0.0 12 38
70 A 74 ALA A S S S+ 0 0 -48.4 -56.9 -179.4 40.0 76.2 30.5 68 -1.2 0 0.0 0 0.0 0 0.0 7 35
71 A 75 ASN N S S S- 0 0 -69.8 -27.4 -178.6 -130.5 101.0 34.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
72 A 76 GLY G + 0 0 79.2 33.1 -179.7 135.2 64.4 34.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
73 A 77 ASP D S S S- 0 0 -93.0 -1.9 179.1 -106.4 77.0 67.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
74 A 78 GLY G S e S+ 0 0 95.2 -7.4 179.9 75.9 91.6 70.2 0 0.0 41 -0.5 0 0.0 0 0.0 7 30
75 A 79 THR T E E AA S- 40 0 -133.4 162.2 178.7 -127.3 72.6 153.2 0 0.0 77 -0.6 0 0.0 0 0.0 10 38
76 A 80 ILE I E E AA - 39 0 -115.6 105.9 179.8 -162.0 26.9 158.6 39 -1.8 39 -1.8 0 0.0 0 0.0 13 43
77 A 81 ASP D E E >AA T - 38 0 -78.6 169.0 -179.6 -96.1 39.1 109.7 75 -0.6 81 -2.5 0 0.0 0 0.0 9 46
78 A 82 PHE F H H > TS+ 0 0 -53.2 -37.5 179.5 57.2 125.3 31.8 37 -0.8 82 -2.8 0 0.0 0 0.0 10 54
79 A 83 ARG R H H > TS+ 0 0 -58.4 -63.1 179.3 39.6 110.2 8.7 0 0.0 83 -2.2 0 0.0 0 0.0 9 51
80 A 84 GLU E H H > TS+ 0 0 -56.2 -31.9 179.1 58.5 114.7 35.7 0 0.0 84 -2.7 0 0.0 0 0.0 11 45
81 A 85 PHE F H H X TS+ 0 0 -60.8 -63.7 -179.1 43.9 106.0 6.5 77 -2.5 85 -3.1 0 0.0 0 0.0 10 60
82 A 86 ILE I H H X TS+ 0 0 -51.4 -43.6 -179.6 50.2 114.9 29.3 78 -2.8 86 -3.4 0 0.0 0 0.0 10 51
83 A 87 ILE I H H X TS+ 0 0 -62.3 -49.9 179.1 50.3 108.9 16.8 79 -2.2 87 -2.6 0 0.0 0 0.0 11 46
84 A 88 ALA A H H X TS+ 0 0 -51.1 -45.6 179.8 48.3 114.0 18.1 80 -2.7 88 -2.2 0 0.0 0 0.0 9 53
85 A 89 LEU L H H X >TS+ 0 0 -59.4 -48.4 -178.6 49.4 111.3 22.3 81 -3.1 89 -1.4 0 0.0 90 -0.8 9 46
86 A 90 SER S H H < 5TS+ 0 0 -57.8 -59.6 -179.2 41.3 114.4 15.4 82 -3.4 0 0.0 0 0.0 0 0.0 12 40
87 A 91 VAL V H H < 5TS+ 0 0 -60.1 -36.4 -179.7 44.7 120.1 34.2 83 -2.6 0 0.0 0 0.0 0 0.0 11 41
88 A 92 THR T H H < 5TS+ 0 0 -71.5 -76.0 -179.4 20.1 126.9 7.2 84 -2.2 0 0.0 0 0.0 0 0.0 9 40
89 A 93 SER S T h < 5TS+ 0 0 -58.5 -66.2 177.9 21.2 137.6 11.6 85 -1.4 0 0.0 0 0.0 0 0.0 6 31
90 A 94 ARG R S t > T - 0 0 -73.9 161.3 -179.7 -109.5 38.5 105.1 0 0.0 96 -1.9 0 0.0 95 -1.4 7 28
93 A 97 LEU L H H > 3 TS+ 0 0 -59.7 -38.0 -178.6 64.6 116.1 29.7 0 0.0 97 -1.5 0 0.0 0 0.0 6 33
94 A 98 GLU E H H 4 3 TS+ 0 0 -61.3 -18.8 178.5 42.0 108.3 44.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
95 A 99 GLN Q H H > X TS+ 0 0 -89.1 -46.9 -178.8 57.2 108.5 30.7 92 -1.4 99 -1.1 0 0.0 98 -0.7 9 35
96 A 100 LYS K H H X 3 TS+ 0 0 -58.0 -19.7 -179.6 66.8 97.4 48.5 92 -1.9 100 -1.9 0 0.0 0 0.0 12 44
97 A 101 LEU L H H X 3 TS+ 0 0 -70.6 -46.6 -179.9 50.7 96.4 23.4 93 -1.5 101 -3.0 0 0.0 0 0.0 11 46
98 A 102 LYS K H H > < TS+ 0 0 -55.6 -57.7 -180.0 44.7 113.5 12.1 95 -0.7 102 -2.1 0 0.0 0 0.0 8 46
99 A 103 TRP W H H X TS+ 0 0 -52.2 -48.4 -179.6 51.9 114.6 20.7 95 -1.1 103 -1.5 0 0.0 0 0.0 9 49
100 A 104 ALA A H H X TS+ 0 0 -56.7 -48.6 -179.1 49.7 107.0 26.8 96 -1.9 104 -1.6 0 0.0 0 0.0 10 59
101 A 105 PHE F H H X > TS+ 0 0 -59.1 -48.7 180.0 49.7 110.8 16.3 97 -3.0 105 -3.1 0 0.0 104 -0.6 10 58
102 A 106 SER S H H < 3 TS+ 0 0 -59.9 -28.7 178.2 61.7 103.9 38.5 98 -2.1 0 0.0 0 0.0 0 0.0 10 49
103 A 107 MET M H H < 3 TS+ 0 0 -62.7 -45.2 -179.9 32.4 114.9 23.8 99 -1.5 0 0.0 0 0.0 0 0.0 11 57
104 A 108 TYR Y H H < < TS+ 0 0 -80.0 -44.5 179.3 79.2 100.9 27.2 100 -1.6 106 -2.6 101 -0.6 0 0.0 10 58
105 A 109 ASP D h < > T + 0 0 -66.9 77.8 -177.2 176.2 62.2 114.1 101 -3.1 108 -1.6 0 0.0 0 0.0 14 41
106 A 110 LEU L T T 3 TS+ 0 0 -56.5 -41.3 179.9 37.0 76.7 30.9 104 -2.6 0 0.0 0 0.0 0 0.0 9 40
107 A 111 ASP D T T 3 TS- 0 0 -97.6 13.5 178.8 -130.7 101.9 75.3 0 0.0 0 0.0 0 0.0 0 0.0 4 26
108 A 112 GLY G t < T + 0 0 47.0 24.7 -179.7 137.8 63.3 47.3 105 -1.6 0 0.0 0 0.0 0 0.0 7 26
109 A 113 ASN N S S S- 0 0 -79.4 5.3 178.9 -103.6 79.3 70.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
110 A 114 GLY G S S S+ 0 0 88.3 1.1 178.8 86.7 93.4 61.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
111 A 115 TYR Y - 0 0 -132.6 152.6 178.6 -140.3 65.8 163.9 0 0.0 113 -0.7 0 0.0 0 0.0 10 35
112 A 116 ILE I E E BB - 160 0 -114.7 99.2 178.6 -158.9 22.5 153.5 160 -1.4 160 -1.8 0 0.0 0 0.0 13 48
113 A 117 SER S E E >BB T - 159 0 -69.3 164.7 178.0 -107.9 32.8 105.5 111 -0.7 117 -2.0 0 0.0 0 0.0 10 40
114 A 118 LYS K H H > TS+ 0 0 -57.6 -41.7 -179.1 54.6 121.6 24.0 158 -0.8 118 -2.4 0 0.0 0 0.0 10 42
115 A 119 ALA A H H > TS+ 0 0 -60.9 -43.5 179.8 50.0 105.5 28.1 0 0.0 119 -2.7 0 0.0 0 0.0 7 33
116 A 120 GLU E H H > TS+ 0 0 -62.7 -47.8 -179.6 44.1 114.0 19.0 0 0.0 120 -2.0 0 0.0 0 0.0 11 41
117 A 121 MET M H H X TS+ 0 0 -64.5 -37.7 179.7 53.5 113.2 28.1 113 -2.0 121 -3.0 0 0.0 0 0.0 12 56
118 A 122 LEU L H H X TS+ 0 0 -61.0 -50.6 -179.9 48.9 107.8 18.8 114 -2.4 122 -2.6 0 0.0 0 0.0 11 43
119 A 123 GLU E H H X TS+ 0 0 -58.5 -40.9 178.4 45.6 114.5 31.1 115 -2.7 123 -2.0 0 0.0 0 0.0 8 42
120 A 124 ILE I H H X TS+ 0 0 -68.2 -49.2 -179.8 49.9 112.5 15.9 116 -2.0 124 -2.0 0 0.0 0 0.0 11 54
121 A 125 VAL V H H X TS+ 0 0 -58.8 -31.9 178.5 54.2 109.4 31.5 117 -3.0 125 -2.1 0 0.0 0 0.0 11 54
122 A 126 GLN Q H H X TS+ 0 0 -65.6 -52.9 178.9 49.1 106.1 15.6 118 -2.6 126 -1.4 0 0.0 0 0.0 9 44
123 A 127 ALA A H H < TS+ 0 0 -54.0 -36.9 179.4 51.4 112.0 30.7 119 -2.0 0 0.0 0 0.0 0 0.0 11 42
124 A 128 ILE I H H X > TS+ 0 0 -68.6 -41.6 179.4 53.4 106.1 24.4 120 -2.0 127 -1.5 0 0.0 128 -0.7 13 50
125 A 129 TYR Y H H < 3 TS+ 0 0 -66.3 -22.2 179.1 62.2 100.0 43.7 121 -2.1 0 0.0 0 0.0 0 0.0 9 41
126 A 130 LYS K T h < 3 TS+ 0 0 -78.9 -9.7 179.8 49.9 103.8 54.2 122 -1.4 56 -0.6 0 0.0 0 0.0 10 39
127 A 131 MET M T T 4 < TS+ 0 0 -100.7 -18.7 179.3 38.9 116.4 52.8 124 -1.5 0 0.0 0 0.0 0 0.0 12 39
128 A 132 VAL V t < T - 0 0 -137.0 138.2 -178.9 -162.4 64.7 177.7 124 -0.7 0 0.0 0 0.0 0 0.0 8 39
129 A 133 SER S + 0 0 -127.8 121.5 -179.8 132.8 30.5 164.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
130 A 134 SER S t > T + 0 0 -164.5 75.8 179.7 155.2 3.2 114.2 0 0.0 134 -2.4 0 0.0 0 0.0 7 24
131 A 135 VAL V T T 4 TS+ 0 0 -75.5 -26.9 179.1 35.6 91.8 41.0 0 0.0 0 0.0 0 0.0 0 0.0 8 21
132 A 136 MET M T T 4 TS+ 0 0 -104.0 -1.6 -179.6 47.8 122.8 69.3 0 0.0 0 0.0 0 0.0 0 0.0 6 13
133 A 137 LYS K T T 4 TS+ 0 0 -107.8 -36.4 178.7 68.9 100.5 45.0 0 0.0 0 0.0 0 0.0 0 0.0 5 13
134 A 138 MET M S t < TS- 0 0 -86.2 148.6 179.9 -84.1 101.4 127.8 130 -2.4 0 0.0 0 0.0 0 0.0 8 24
135 A 139 PRO P g > T - 0 0 -51.6 140.4 -179.2 -120.1 35.5 98.5 0 0.0 138 -2.5 0 0.0 0 0.0 8 23
136 A 140 GLU E G G > TS+ 0 0 -52.4 -30.2 -179.7 59.5 115.1 37.9 0 0.0 139 -0.8 0 0.0 0 0.0 7 18
137 A 141 ASP D G G 3 TS+ 0 0 -75.3 -14.3 -179.6 37.3 112.3 52.4 0 0.0 0 0.0 0 0.0 0 0.0 8 22
138 A 142 GLU E G G < TS+ 0 0 -123.2 17.2 -179.0 118.2 78.9 84.5 135 -2.5 0 0.0 0 0.0 0 0.0 10 33
139 A 143 SER S S g < TS+ 0 0 -59.8 -20.8 179.6 32.6 79.4 46.7 136 -0.8 0 0.0 0 0.0 0 0.0 11 27
140 A 144 THR T S h > > TS- 0 0 -140.1 144.9 -179.8 -117.8 82.6 175.5 0 0.0 144 -3.0 0 0.0 143 -0.7 7 32
141 A 145 PRO P H H > 3 TS+ 0 0 -46.8 -37.2 179.6 54.2 117.0 32.8 0 0.0 145 -2.6 0 0.0 0 0.0 11 39
142 A 146 GLU E H H > 3 TS+ 0 0 -65.1 -44.3 179.4 43.4 111.4 24.2 0 0.0 146 -2.0 0 0.0 0 0.0 7 32
143 A 147 LYS K H H > < TS+ 0 0 -65.5 -48.3 -179.2 53.4 112.5 15.2 140 -0.7 147 -2.4 0 0.0 0 0.0 10 29
144 A 148 ARG R H H X TS+ 0 0 -53.0 -43.6 -179.8 47.7 110.3 29.2 140 -3.0 148 -1.9 0 0.0 0 0.0 12 43
145 A 149 THR T H H X TS+ 0 0 -64.5 -51.8 179.7 49.2 110.6 17.4 141 -2.6 149 -3.0 0 0.0 0 0.0 12 44
146 A 150 GLU E H H X TS+ 0 0 -55.7 -40.0 -179.9 52.6 110.5 29.8 142 -2.0 150 -1.6 0 0.0 0 0.0 8 38
147 A 151 LYS K H H X TS+ 0 0 -63.0 -44.7 -179.2 45.3 112.0 22.7 143 -2.4 151 -1.8 0 0.0 0 0.0 10 39
148 A 152 ILE I H H X TS+ 0 0 -63.6 -55.0 -179.9 46.3 114.3 16.0 144 -1.9 152 -2.6 0 0.0 0 0.0 9 54
149 A 153 PHE F H H < TS+ 0 0 -61.0 -25.0 178.9 57.1 109.5 42.6 145 -3.0 0 0.0 0 0.0 0 0.0 11 49
150 A 154 ARG R H H < TS+ 0 0 -70.9 -45.4 179.2 41.6 111.4 24.1 146 -1.6 0 0.0 0 0.0 0 0.0 7 36
151 A 155 GLN Q H H < TS+ 0 0 -63.7 -59.3 179.9 26.7 128.0 12.9 147 -1.8 0 0.0 0 0.0 0 0.0 8 35
152 A 156 MET M S h < TS+ 0 0 -88.0 -162.7 -179.1 82.8 84.3 90.6 148 -2.6 0 0.0 0 0.0 0 0.0 11 38
153 A 157 ASP D t > T - 0 0 61.8 57.7 -178.0 -175.3 56.4 10.5 0 0.0 156 -1.7 0 0.0 0 0.0 14 36
154 A 158 THR T T T 3 TS+ 0 0 -60.9 -24.4 179.5 51.2 74.9 47.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
155 A 159 ASN N T T 3 TS- 0 0 -97.6 8.9 179.3 -125.1 105.6 67.1 0 0.0 0 0.0 0 0.0 0 0.0 4 22
156 A 160 ARG R t < T + 0 0 48.5 66.5 -179.2 132.6 67.2 14.6 153 -1.7 0 0.0 0 0.0 0 0.0 6 23
157 A 161 ASP D S S S- 0 0 -130.0 17.2 179.9 -113.9 74.2 83.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
158 A 162 GLY G S e S+ 0 0 55.6 23.5 -179.5 96.5 88.5 45.5 0 0.0 114 -0.8 0 0.0 0 0.0 8 30
159 A 163 LYS K E E BB - 113 0 -144.9 133.1 179.9 -136.6 68.6 173.0 0 0.0 161 -0.6 0 0.0 0 0.0 10 38
160 A 164 LEU L E E BB - 112 0 -95.1 118.1 179.5 -156.4 22.1 144.0 112 -1.8 112 -1.4 0 0.0 0 0.0 12 47
161 A 165 SER S h > T - 0 0 -82.8 175.7 -179.4 -103.2 31.3 108.1 159 -0.6 165 -2.3 0 0.0 0 0.0 10 40
162 A 166 LEU L H H > TS+ 0 0 -68.1 -42.0 179.8 42.7 122.7 22.7 0 0.0 166 -2.0 0 0.0 0 0.0 9 40
163 A 167 GLU E H H > TS+ 0 0 -71.5 -38.8 179.4 52.6 113.1 27.3 0 0.0 167 -2.8 0 0.0 0 0.0 6 31
164 A 168 GLU E H H > TS+ 0 0 -60.8 -43.9 -179.4 45.6 112.7 20.8 0 0.0 168 -2.3 0 0.0 0 0.0 11 39
165 A 169 PHE F H H X TS+ 0 0 -67.5 -39.5 -179.5 48.6 113.5 31.6 161 -2.3 169 -1.8 0 0.0 0 0.0 12 53
166 A 170 ILE I H H X TS+ 0 0 -68.6 -44.0 -179.9 46.2 113.4 22.2 162 -2.0 170 -1.5 0 0.0 0 0.0 9 41
167 A 171 ARG R H H X TS+ 0 0 -64.6 -42.6 -179.9 46.8 115.7 24.3 163 -2.8 171 -1.3 0 0.0 0 0.0 9 31
168 A 172 GLY G H H X TS+ 0 0 -69.8 -31.3 179.4 55.2 108.2 37.6 164 -2.3 172 -1.5 0 0.0 0 0.0 11 39
169 A 173 ALA A H H < TS+ 0 0 -70.4 -33.0 178.8 52.1 106.1 35.4 165 -1.8 0 0.0 0 0.0 0 0.0 12 43
170 A 174 LYS K H H < TS+ 0 0 -70.4 -33.9 179.3 40.3 116.2 33.2 166 -1.5 0 0.0 0 0.0 0 0.0 7 28
171 A 175 SER S H H < TS+ 0 0 -85.8 -22.8 179.3 20.5 134.6 46.9 167 -1.3 0 0.0 0 0.0 0 0.0 6 25
172 A 176 ASP D h < > T - 0 0 -150.0 88.8 -179.8 -178.7 59.8 131.4 168 -1.5 175 -0.9 0 0.0 0 0.0 7 30
173 A 177 PRO P T h > > T + 0 0 -69.6 8.0 -179.6 96.9 66.2 68.4 0 0.0 177 -2.2 0 0.0 176 -0.5 9 34
174 A 178 SER S H H > 3 TS+ 0 0 -63.1 -51.1 -178.9 56.5 73.3 18.1 0 0.0 178 -2.7 0 0.0 0 0.0 7 39
175 A 179 ILE I H H 4 < TS+ 0 0 -56.1 -20.2 179.5 46.7 112.1 45.0 172 -0.9 0 0.0 0 0.0 0 0.0 9 58
176 A 180 VAL V H H > X TS+ 0 0 -86.6 -54.3 180.0 45.7 111.2 23.2 173 -0.5 179 -1.1 0 0.0 180 -0.8 11 49
177 A 181 ARG R H H < 3 TS+ 0 0 -60.8 -27.9 178.6 68.9 102.0 37.8 173 -2.2 0 0.0 0 0.0 0 0.0 8 41
178 A 182 LEU L T h < 3 TS+ 0 0 -56.7 -38.9 179.9 52.6 97.8 26.0 174 -2.7 0 0.0 0 0.0 0 0.0 8 49
179 A 183 LEU L T T 4 < TS+ 0 0 -66.5 -34.4 179.6 84.9 88.3 35.0 176 -1.1 181 -1.9 0 0.0 0 0.0 8 58
180 A 184 GLN Q t < T 0 0 -74.9 85.8 -179.6 999.9 999.9 123.9 176 -0.8 0 0.0 0 0.0 0 0.0 6 49
181 A 185 CYS C 0 0 52.4 999.9 999.9 999.9 999.9 15.9 179 -1.9 0 0.0 0 0.0 0 0.0 6 47
1bjfA.pdb
1BJF CALCIUM-BINDING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHSS HHHHHHHHHHHHHHSTTSEEEHHHHHHHHTTTSSSS HHHHHHHHHHH SS SSEEEHHHHHHHHHHHTSS HHHHHHHH Kabs/Sand
chirality +---++++++++++-+--++++++++++++++++-+---++++++++++++++-+++++++++++++-+-+-+---+++++++++++++--++++++++ chirality
bends SSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSS SSSSSSSSSSS SS SSS SSSSSSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >3><3< >33< >33X>3<< >33< >33X33< 3-turns
bridge-2 bridge-2
bridge-1 AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >>>>XXXX<<<< >>>>XXXXXXXX<<<< >>>>XX<>>>XXXXX<<<< >>>>XXXXX<<<< >>4>XX>XX 4-turns
summary hHHHHHHHHHHhS hHHHHHHHHHHHHHHhTTeEEEHHHHHHHHhTTtSSS hHHHHHHHHHHHhSS SeEEEHHHHHHHHHHHhtShHHHHHHHH summary
sequence NSKLRPEVMQDLLESTDFTEHEIQEWYKGFLRDCPSGHLSMEEFKKIYGNFFPYGDASKFAEHVFRTFDANGDGTIDFREFIIALSVTSRGKLEQKLKWA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHH TT SS EEHHHHHHHHHHHHTT TTTS GGGSSHHHHHHHHHHHS TT SSEE HHHHHHHHHH THHHHTT Kabs/Sand
chirality ++++++-+-+---++++++++++++++-+++++--++++-++++++++++++-+-+-+---++++++++++-+++++++ chirality
bends SSSS SS SS SSSSSSSSSSSSSS SSSS SSSSSSSSSSSSSSSSS SS SS SSSSSSSSSS SSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33<>33< >33< >>3<<>33< >33< >>3>>>XXXXXX444< >>>>XXXXX<<<< >>>>XXXX<<<<>>4><<4< 4-turns
summary HHHHhTTtSS EEHHHHHHHHHHHHhTt tTTTtgGGGghHHHHHHHHHHHhtTTtSeEEhHHHHHHHHHHhhHHHHhTt summary
sequence FSMYDLDGNGYISKAEMLEIVQAIYKMVSSVMKMPEDESTPEKRTEKIFRQMDTNRDGKLSLEEFIRGAKSDPSIVRLLQC sequence
110 120 130 140 150 160 170 180