Secondary structure calculation program - copyright by David Keith Smith, 1989
1fjgM.pdb
1FJG RIBOSOME MOL_ID: 1; MOL_ID: 1;
Sequence length - 125
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 M 2 ALA A 0 0 999.9 106.3 179.3 999.9 999.9 999.9 0 0.0 3 -0.9 0 0.0 0 0.0 9 39
2 M 3 ARG R + 0 0 -54.4 96.3 -179.5 152.3 999.9 109.4 0 0.0 0 0.0 0 0.0 0 0.0 9 36
3 M 4 ILE I + 0 0 -103.8 -23.1 178.8 23.4 57.0 45.7 1 -0.9 0 0.0 0 0.0 0 0.0 13 50
4 M 5 ALA A S t > TS- 0 0 -134.3 177.6 179.8 -34.6 115.1 143.2 0 0.0 7 -4.5 0 0.0 0 0.0 12 42
5 M 6 GLY G T T 3 TS- 0 0 -35.5 101.2 -179.1 -34.0 128.3 92.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
6 M 7 VAL V T T 3 TS+ 0 0 48.6 21.1 179.7 152.5 108.2 45.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
7 M 8 GLU E t < T + 0 0 -79.8 147.3 -179.7 174.9 21.4 121.2 4 -4.5 0 0.0 0 0.0 0 0.0 10 35
8 M 9 ILE I - 0 0 -158.3 89.4 179.9 -178.8 3.8 126.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
9 M 10 PRO P + 0 0 -83.8 161.6 178.5 171.2 18.6 117.0 0 0.0 0 0.0 0 0.0 0 0.0 13 38
10 M 11 ARG R + 0 0 -169.4 166.7 178.2 13.9 37.2 177.1 0 0.0 0 0.0 0 0.0 0 0.0 11 32
11 M 12 ASN N S S S+ 0 0 47.3 5.9 179.4 85.1 99.4 64.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
12 M 13 LYS K S S S- 0 0 -123.4 172.9 177.1 -69.1 97.6 137.7 0 0.0 44 -2.4 0 0.0 0 0.0 11 25
13 M 14 ARG R B h > A > T - 43 0 -56.2 152.9 -178.9 -126.5 46.7 105.5 0 0.0 17 -1.3 0 0.0 16 -0.7 12 34
14 M 15 VAL V H H > 3 TS+ 0 0 -72.7 -39.5 -179.8 62.0 106.8 27.2 40 -1.9 18 -3.0 42 -1.5 0 0.0 13 51
15 M 16 ASP D H H 4 3 TS+ 0 0 -63.3 -6.1 179.5 39.2 113.8 57.2 40 -0.6 0 0.0 0 0.0 0 0.0 12 45
16 M 17 VAL V H H 4 < TS+ 0 0 -111.7 -29.3 -178.8 53.6 113.7 51.7 13 -0.7 0 0.0 0 0.0 0 0.0 11 40
17 M 18 ALA A H H < > TS+ 0 0 -78.7 -31.9 179.6 60.6 98.4 37.1 13 -1.3 20 -1.4 0 0.0 0 0.0 12 45
18 M 19 LEU L G h < > TS+ 0 0 -67.8 -17.1 179.9 71.9 92.5 43.9 14 -3.0 21 -1.4 0 0.0 0 0.0 11 59
19 M 20 THR T G G 3 TS+ 0 0 -64.5 -30.3 -178.6 73.0 81.4 36.7 0 0.0 0 0.0 0 0.0 0 0.0 12 43
20 M 21 TYR Y G G < TS+ 0 0 -69.4 4.8 178.5 97.0 75.0 68.7 17 -1.4 0 0.0 0 0.0 0 0.0 10 38
21 M 22 ILE I S g X TS- 0 0 -96.9 136.4 -177.1 -121.1 85.4 144.9 18 -1.4 24 -2.3 0 0.0 0 0.0 12 44
22 M 23 TYR Y T T 3 TS+ 0 0 -49.5 -24.3 179.5 38.2 111.2 45.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
23 M 24 GLY G T T 3 TS+ 0 0 -109.3 5.1 -178.3 76.5 106.7 65.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
24 M 25 ILE I t < T + 0 0 -122.7 152.5 178.7 150.4 42.8 150.5 21 -2.3 0 0.0 0 0.0 0 0.0 12 42
25 M 26 GLY G h > > T - 0 0 -172.0 145.2 -180.0 -57.1 63.2 155.4 0 0.0 28 -1.8 0 0.0 29 -0.6 11 33
26 M 27 LYS K H H > 3 TS+ 0 0 14.2 -70.4 179.9 51.6 129.2 72.9 0 0.0 30 -3.1 0 0.0 0 0.0 9 25
27 M 28 ALA A H H > 3 TS+ 0 0 -48.3 -61.6 -179.8 29.8 122.0 18.2 0 0.0 31 -0.8 0 0.0 0 0.0 7 25
28 M 29 ARG R H H > < TS+ 0 0 -70.3 -31.9 179.5 59.7 117.5 35.4 25 -1.8 32 -2.5 0 0.0 0 0.0 8 37
29 M 30 ALA A H H X TS+ 0 0 -60.6 -52.2 -179.8 45.8 106.4 15.6 25 -0.6 33 -1.8 0 0.0 0 0.0 13 49
30 M 31 LYS K H H X TS+ 0 0 -64.1 -19.9 180.0 54.1 113.2 44.7 26 -3.1 34 -0.9 0 0.0 0 0.0 10 34
31 M 32 GLU E H H X TS+ 0 0 -78.0 -58.5 -179.2 45.5 106.9 13.4 27 -0.8 35 -2.9 0 0.0 0 0.0 8 34
32 M 33 ALA A H H < TS+ 0 0 -54.4 -39.8 179.5 47.8 115.4 32.8 28 -2.5 0 0.0 0 0.0 0 0.0 11 46
33 M 34 LEU L H H X > TS+ 0 0 -69.8 -37.9 179.2 50.7 112.6 26.8 29 -1.8 36 -1.0 0 0.0 37 -0.8 13 43
34 M 35 GLU E H H < > TS+ 0 0 -60.3 -57.7 -178.9 41.7 114.2 12.7 30 -0.9 37 -1.1 0 0.0 0 0.0 9 31
35 M 36 LYS K T h < 3 TS+ 0 0 -79.0 19.1 179.4 52.1 116.1 80.0 31 -2.9 0 0.0 0 0.0 0 0.0 6 29
36 M 37 THR T T T 4 < TS- 0 0 -129.2 -9.0 179.0 -124.5 104.4 67.0 33 -1.0 0 0.0 0 0.0 0 0.0 10 34
37 M 38 GLY G t < < T + 0 0 83.5 -16.3 -179.6 139.4 61.8 77.2 34 -1.1 0 0.0 33 -0.8 0 0.0 6 28
38 M 39 ILE I - 0 0 -63.9 141.1 177.6 -119.7 59.0 109.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39
39 M 40 ASN N t > T - 0 0 -82.9 113.8 -179.4 -144.2 20.2 138.3 0 0.0 42 -2.6 0 0.0 0 0.0 7 32
40 M 41 PRO P T T 3 TS+ 0 0 -40.3 -57.4 179.6 66.8 93.8 29.0 0 0.0 14 -1.9 0 0.0 15 -0.6 9 38
41 M 42 ALA A T T 3 TS+ 0 0 -42.8 -20.9 -178.9 109.1 77.1 52.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
42 M 43 THR T S t < TS- 0 0 -67.3 138.5 179.4 -114.8 77.4 114.0 39 -2.6 14 -1.5 0 0.0 0 0.0 11 33
43 M 44 ARG R B B > A T - 13 0 -70.8 138.6 -179.4 -119.2 22.9 119.6 0 0.0 47 -1.1 0 0.0 0 0.0 11 30
44 M 45 VAL V T T 4 > TS+ 0 0 -44.7 -43.1 179.1 50.7 119.1 26.5 12 -2.4 47 -1.0 0 0.0 0 0.0 13 40
45 M 46 LYS K T T 4 3 TS+ 0 0 -59.0 -51.4 -179.7 53.1 106.0 18.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 M 47 ASP D T T 4 3 TS+ 0 0 -62.6 -9.2 179.2 117.1 87.1 55.7 0 0.0 0 0.0 0 0.0 0 0.0 6 26
47 M 48 LEU L t < < T - 0 0 -57.3 157.5 179.0 -115.9 69.7 99.2 43 -1.1 0 0.0 44 -1.0 0 0.0 9 35
48 M 49 THR T h > T - 0 0 -101.6 136.8 180.0 -122.0 15.8 146.5 0 0.0 52 -3.3 0 0.0 0 0.0 6 29
49 M 50 GLU E H H > TS+ 0 0 -38.7 -46.4 179.6 48.9 118.9 30.7 0 0.0 53 -0.7 0 0.0 0 0.0 6 24
50 M 51 ALA A H H > > TS+ 0 0 -61.3 -49.4 179.5 48.8 110.8 20.3 0 0.0 54 -2.3 0 0.0 53 -1.1 6 23
51 M 52 GLU E H H > 3 TS+ 0 0 -56.9 -45.9 -179.9 56.1 106.7 22.5 0 0.0 55 -3.0 0 0.0 0 0.0 10 34
52 M 53 VAL V H H X 3 TS+ 0 0 -60.4 -18.9 -179.8 50.6 108.9 44.2 48 -3.3 56 -1.4 0 0.0 0 0.0 11 43
53 M 54 VAL V H H X < TS+ 0 0 -83.3 -56.9 179.4 43.3 110.6 18.2 50 -1.1 57 -3.5 49 -0.7 0 0.0 8 31
54 M 55 ARG R H H X TS+ 0 0 -51.9 -47.5 -179.6 48.2 118.5 22.2 50 -2.3 58 -2.4 0 0.0 0 0.0 9 33
55 M 56 LEU L H H X TS+ 0 0 -57.2 -62.8 179.4 41.2 115.7 10.7 51 -3.0 59 -1.5 0 0.0 0 0.0 13 53
56 M 57 ARG R H H X TS+ 0 0 -54.9 -37.7 -179.9 57.8 112.4 32.4 52 -1.4 60 -1.8 0 0.0 0 0.0 11 50
57 M 58 GLU E H H X TS+ 0 0 -56.6 -60.9 179.5 36.1 113.8 11.0 53 -3.5 61 -1.5 0 0.0 0 0.0 8 33
58 M 59 TYR Y H H X > TS+ 0 0 -53.1 -79.1 179.8 51.3 116.0 9.6 54 -2.4 62 -4.0 0 0.0 61 -1.9 11 34
59 M 60 VAL V H H X 3 TS+ 0 0 -26.4 -59.6 -178.9 43.3 113.8 40.3 55 -1.5 63 -1.2 0 0.0 0 0.0 11 50
60 M 61 GLU E H H < 3 TS+ 0 0 -65.8 -30.7 -178.5 32.6 126.5 35.3 56 -1.8 0 0.0 0 0.0 0 0.0 11 40
61 M 62 ASN N H H < < TS+ 0 0 -98.9 -25.7 -179.9 55.8 114.4 42.8 58 -1.9 0 0.0 57 -1.5 0 0.0 7 28
62 M 63 THR T H H < TS+ 0 0 -81.8 -15.7 179.4 27.0 114.3 47.7 58 -4.0 0 0.0 0 0.0 0 0.0 6 32
63 M 64 TRP W S h < TS- 0 0 -138.6 -178.6 179.2 -110.9 72.9 142.7 59 -1.2 65 -0.6 0 0.0 0 0.0 8 34
64 M 65 LYS K + 0 0 -114.9 108.8 -177.3 163.0 54.1 165.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
65 M 66 LEU L h > > T - 0 0 -123.9 -175.3 179.4 -5.8 32.0 125.3 63 -0.6 69 -1.5 0 0.0 68 -0.7 13 37
66 M 67 GLU E H H > > TS+ 0 0 30.3 -138.3 -179.2 6.5 119.7 78.1 0 0.0 70 -1.8 0 0.0 69 -1.2 11 33
67 M 68 GLY G H H > 3 TS+ 0 0 -36.6 -50.7 -179.5 51.6 130.4 39.6 0 0.0 71 -2.6 0 0.0 0 0.0 8 23
68 M 69 GLU E H H > < TS+ 0 0 -60.4 -38.2 179.3 51.7 110.0 28.4 65 -0.7 72 -2.5 0 0.0 0 0.0 8 25
69 M 70 LEU L H H X < TS+ 0 0 -60.2 -59.2 179.7 47.2 109.8 10.8 65 -1.5 73 -1.9 66 -1.2 0 0.0 11 27
70 M 71 ARG R H H X TS+ 0 0 -47.6 -47.3 -179.7 53.9 111.3 25.3 66 -1.8 74 -2.6 0 0.0 0 0.0 8 22
71 M 72 ALA A H H X TS+ 0 0 -54.8 -48.4 179.9 48.1 109.3 23.3 67 -2.6 75 -2.4 0 0.0 0 0.0 8 18
72 M 73 GLU E H H X > TS+ 0 0 -55.2 -73.1 179.8 46.6 111.6 8.2 68 -2.5 76 -2.1 0 0.0 75 -0.9 8 20
73 M 74 VAL V H H X 3 TS+ 0 0 -34.8 -55.4 -179.8 49.1 113.9 32.1 69 -1.9 77 -2.7 0 0.0 0 0.0 8 22
74 M 75 ALA A H H X 3 TS+ 0 0 -55.6 -44.5 179.7 53.8 108.5 24.4 70 -2.6 78 -2.0 0 0.0 0 0.0 8 24
75 M 76 ALA A H H X < TS+ 0 0 -58.9 -38.0 179.2 48.8 109.5 29.9 71 -2.4 79 -2.5 72 -0.9 0 0.0 8 19
76 M 77 ASN N H H X TS+ 0 0 -66.5 -51.2 -179.4 53.3 107.6 16.2 72 -2.1 80 -1.4 0 0.0 0 0.0 8 25
77 M 78 ILE I H H < TS+ 0 0 -55.2 -33.2 178.5 43.7 113.4 34.2 73 -2.7 0 0.0 0 0.0 0 0.0 10 29
78 M 79 LYS K H H X TS+ 0 0 -76.1 -45.1 179.7 59.8 110.1 20.2 74 -2.0 82 -2.4 0 0.0 0 0.0 9 25
79 M 80 ARG R H H < > TS+ 0 0 -41.5 -83.8 -179.2 34.4 110.9 21.7 75 -2.5 82 -2.2 0 0.0 0 0.0 9 21
80 M 81 LEU L G h < > TS+ 0 0 -49.5 -20.5 179.7 58.9 118.7 43.9 76 -1.4 83 -0.5 0 0.0 0 0.0 11 23
81 M 82 MET M G G 4 3 TS+ 0 0 -79.4 -32.2 -179.7 60.1 95.0 35.2 0 0.0 0 0.0 0 0.0 0 0.0 13 25
82 M 83 ASP D G G < < TS+ 0 0 -77.4 5.0 177.7 61.9 103.6 68.4 78 -2.4 0 0.0 79 -2.2 0 0.0 8 19
83 M 84 ILE I S g < TS- 0 0 -128.6 145.4 -178.6 -99.3 107.4 164.2 80 -0.5 0 0.0 0 0.0 0 0.0 7 17
84 M 85 GLY G S S S+ 0 0 -35.3 -25.9 -179.7 150.6 71.2 48.5 0 0.0 0 0.0 0 0.0 0 0.0 8 18
85 M 86 CYS C h > T - 0 0 -14.4 129.0 179.5 -128.5 54.2 68.5 0 0.0 89 -2.1 0 0.0 0 0.0 9 22
86 M 87 TYR Y H H > > TS+ 0 0 -50.7 -62.7 179.5 49.2 112.4 13.3 0 0.0 90 -2.5 0 0.0 89 -0.7 6 24
87 M 88 ARG R H H > 3 TS+ 0 0 -44.0 -44.2 179.5 60.0 106.3 27.9 0 0.0 91 -2.5 0 0.0 0 0.0 10 28
88 M 89 GLY G H H > 3 TS+ 0 0 -50.3 -52.6 -179.9 43.4 107.5 19.2 0 0.0 92 -2.1 0 0.0 0 0.0 15 26
89 M 90 LEU L H H X < TS+ 0 0 -58.5 -51.5 -179.7 55.8 109.9 18.5 85 -2.1 93 -3.1 86 -0.7 0 0.0 10 24
90 M 91 ARG R H H X >TS+ 0 0 -51.3 -36.7 179.1 49.2 108.7 31.5 86 -2.5 94 -2.2 0 0.0 95 -1.6 11 29
91 M 92 HIS H H H < 5TS+ 0 0 -71.1 -40.7 178.6 49.6 110.0 23.9 87 -2.5 0 0.0 0 0.0 0 0.0 12 33
92 M 93 ARG R H H < 5TS+ 0 0 -61.1 -44.0 -179.7 44.5 115.4 22.8 88 -2.1 0 0.0 0 0.0 0 0.0 8 25
93 M 94 ARG R H H < 5TS- 0 0 -68.1 -36.2 -178.4 -131.4 105.4 31.4 89 -3.1 0 0.0 0 0.0 0 0.0 6 27
94 M 95 GLY G T h < 5T + 0 0 88.7 18.2 179.1 130.5 64.3 47.6 90 -2.2 0 0.0 0 0.0 0 0.0 8 28
95 M 96 LEU L S t T + 0 0 -164.1 26.2 -178.2 121.0 36.4 91.5 0 0.0 110 -3.5 0 0.0 0 0.0 12 23
107 M 108 ARG R H H > T + 0 0 -65.2 -47.8 -178.5 61.0 65.5 23.0 0 0.0 111 -3.1 0 0.0 0 0.0 9 20
108 M 109 THR T H H 4 TS+ 0 0 -54.2 -23.3 -179.7 31.5 119.3 40.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
109 M 110 ARG R H H 4 TS+ 0 0 -100.5 -48.6 180.0 48.5 119.9 31.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
110 M 111 LYS K H H < TS- 0 0 -65.5 -21.3 -179.1 -144.4 100.1 46.1 106 -3.5 0 0.0 0 0.0 0 0.0 9 24
111 M 112 GLY G h < T + 0 0 89.6 -158.2 -180.0 11.5 55.8 123.4 107 -3.1 0 0.0 0 0.0 0 0.0 6 17
112 M 113 PRO P S S S- 0 0 -55.5 143.1 -179.3 -103.1 86.2 101.2 0 0.0 114 -0.6 0 0.0 0 0.0 5 14
113 M 114 ARG R - 0 0 -75.2 115.7 -179.1 -162.3 33.3 126.1 0 0.0 115 -0.9 0 0.0 0 0.0 6 17
114 M 115 LYS K - 0 0 -103.6 83.6 -178.8 -151.6 12.8 134.1 112 -0.6 0 0.0 0 0.0 0 0.0 4 15
115 M 116 THR T - 0 0 -53.0 152.5 179.7 -166.8 11.1 89.5 113 -0.9 0 0.0 0 0.0 0 0.0 4 13
116 M 117 VAL V - 0 0 -134.9 164.7 178.6 -91.9 29.4 150.7 0 0.0 0 0.0 0 0.0 0 0.0 4 8
117 M 118 ALA A + 0 0 -64.1 -171.3 -179.9 173.4 53.4 84.4 0 0.0 0 0.0 0 0.0 0 0.0 4 10
118 M 119 GLY G - 0 0 -173.2 -167.7 179.4 -64.6 37.3 163.1 0 0.0 120 -0.8 0 0.0 0 0.0 4 11
119 M 120 LYS K + 0 0 -107.9 95.9 -178.4 173.4 45.7 149.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
120 M 121 LYS K + 0 0 -66.1 -80.3 -179.2 75.0 55.4 3.5 118 -0.8 122 -1.0 0 0.0 0 0.0 6 10
121 M 122 LYS K S S S+ 0 0 -43.5 84.5 -179.6 71.8 86.7 96.6 0 0.0 0 0.0 0 0.0 0 0.0 4 8
122 M 123 ALA A S S S- 0 0 160.6 107.9 180.0 -101.8 98.4 107.5 120 -1.0 124 -1.1 0 0.0 0 0.0 5 8
123 M 124 PRO P - 0 0 -46.7 86.4 -179.5 -174.5 38.4 100.7 0 0.0 0 0.0 0 0.0 0 0.0 5 7
124 M 125 ARG R 0 0 -65.5 -3.9 179.4 999.9 999.9 59.1 122 -1.1 0 0.0 0 0.0 0 0.0 4 10
125 M 126 LYS K 0 0 -60.3 999.9 999.9 999.9 999.9 16.8 0 0.0 0 0.0 0 0.0 0 0.0 2 9
1fjgM.pdb
1FJG RIBOSOME MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STT SSBHHHHGGGSTT HHHHHHHHHTT TTSBTTT HHHHHHHHHHHHHHS HHHHHHHHHHHHHHGGGSS HHHHHHHHTS SSS Kabs/Sand
chirality ++--++-+++--+++++++-+++-++++++++++-+--++--+++--++++++++++++++-+-+++++++++++++++++-+-+++++++-+--+-+- chirality
bends SSS SS SSSSSSSSSS SSSSSSSSSSS SSS SSS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSSSSSSS S SSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33<>>333< >>3<< >33< >33< >33< >33< >>3<< >33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>44<< >>>>XXX444<>>>>XXXXXXXX<<<< >>>>XXXXXXXX>>>XX<<<< 4-turns
summary tTTt SShHHHHhGGgTTthHHHHHHHHHhTt tTTtBTTTthHHHHHHHHHHHHHHh hHHHHHHHHHHHHHHhGGgShHHHHHHHHht SSS summary
sequence ARIAGVEIPRNKRVDVALTYIYGIGKARAKEALEKTGINPATRVKDLTEAEVVRLREYVENTWKLEGELRAEVAANIKRLMDIGCYRGLRHRRGLPVRGQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS HHHH S SS Kabs/Sand
chirality -+-++++++-+-----+-+++-- chirality
bends SS SSS S SS bends
turns TTTTTT turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>44<< 4-turns
summary SS hHHHHhS SS summary
sequence RTRTNARTRKGPRKTVAGKKKAPRK sequence
110 120