Secondary structure calculation program - copyright by David Keith Smith, 1989
1fjgQ.pdb
1FJG RIBOSOME MOL_ID: 1; MOL_ID: 1;
Sequence length - 104
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 Q 2 PRO P 0 0 999.9 123.0 177.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 10
2 Q 3 LYS K - 0 0 -59.1 124.4 -180.0 -106.4 999.9 117.1 0 0.0 0 0.0 0 0.0 0 0.0 6 17
3 Q 4 LYS K e - 0 0 -55.4 136.0 177.8 -154.3 32.2 104.4 0 0.0 60 -2.4 0 0.0 0 0.0 6 24
4 Q 5 VAL V E E AA - 59 0 -117.1 132.7 -177.8 -172.8 14.7 163.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
5 Q 6 LEU L E E AA - 58 0 -130.1 151.5 -179.5 -146.2 15.7 159.9 58 -3.3 58 -3.6 0 0.0 0 0.0 8 41
6 Q 7 THR T E E AA + 57 0 -120.1 125.2 -179.8 128.2 35.9 160.7 0 0.0 23 -0.8 0 0.0 0 0.0 10 42
7 Q 8 GLY G E E AAB - 56 22 -154.8 -175.1 -179.4 -86.0 50.8 151.7 56 -1.9 56 -1.1 0 0.0 0 0.0 12 55
8 Q 9 VAL V E E AAB - 55 21 -108.7 140.1 178.7 -118.4 34.3 148.8 21 -1.6 21 -3.2 0 0.0 10 -1.0 14 53
9 Q 10 VAL V E E A B + 0 20 -73.9 103.3 -179.6 170.1 37.8 128.2 54 -2.7 53 -1.3 0 0.0 0 0.0 17 56
10 Q 11 VAL V E E A * + 0 0 -98.5 8.4 178.9 32.3 64.7 72.1 19 -2.3 0 0.0 8 -1.0 0 0.0 12 50
11 Q 12 SER S E E A B + 0 19 -169.3 122.1 178.4 164.9 37.9 139.8 19 -0.8 19 -2.4 0 0.0 0 0.0 10 44
12 Q 13 ASP D + 0 0 -123.5 35.2 -179.2 119.5 49.4 101.8 0 0.0 0 0.0 0 0.0 0 0.0 12 39
13 Q 14 LYS K + 0 0 -83.7 6.3 -179.2 75.5 61.6 69.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
14 Q 15 MET M S S S- 0 0 -119.6 169.2 179.0 -98.6 88.1 136.2 17 -0.7 16 -0.7 0 0.0 0 0.0 7 26
15 Q 16 GLN Q S S S- 0 0 -87.2 112.3 179.4 -19.8 103.0 140.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
16 Q 17 LYS K S e S+ 0 0 62.7 24.3 179.2 98.9 120.1 43.8 14 -0.7 45 -3.4 0 0.0 0 0.0 9 31
17 Q 18 THR T E E A C - 0 44 -142.5 140.6 177.4 -172.1 48.5 179.7 0 0.0 14 -0.7 0 0.0 0 0.0 13 43
18 Q 19 VAL V E E A C - 0 43 -131.0 143.7 178.4 -128.6 23.8 169.9 43 -2.8 43 -2.1 0 0.0 20 -0.6 15 50
19 Q 20 THR T E E ABC - 11 42 -92.5 120.2 179.4 -163.2 24.9 145.9 11 -2.4 10 -2.3 0 0.0 11 -0.8 13 53
20 Q 21 VAL V E E ABC - 9 41 -107.7 125.3 -179.1 -147.2 10.1 156.0 41 -3.2 41 -2.7 18 -0.6 22 -1.0 15 61
21 Q 22 LEU L E E ABC - 8 40 -93.8 99.5 -179.3 -166.6 18.2 141.2 8 -3.2 8 -1.6 0 0.0 0 0.0 12 53
22 Q 23 VAL V E E ABC - 7 39 -89.8 132.9 -179.8 -162.4 2.5 136.3 39 -2.6 39 -2.3 20 -1.0 0 0.0 12 43
23 Q 24 GLU E E E A C + 0 38 -113.2 156.5 -179.6 180.0 9.1 142.1 6 -0.8 0 0.0 0 0.0 0 0.0 10 30
24 Q 25 ARG R E E A C - 0 37 -155.8 143.7 179.5 -151.3 11.8 169.3 37 -2.6 37 -1.0 0 0.0 0 0.0 7 25
25 Q 26 GLN Q E E A C + 0 36 -109.5 176.3 179.2 150.6 22.9 125.2 0 0.0 0 0.0 0 0.0 0 0.0 8 19
26 Q 27 PHE F E E A C - 0 35 164.0 152.1 -179.9 -81.6 45.0 140.1 35 -0.5 35 -3.3 0 0.0 0 0.0 7 16
27 Q 28 PRO P E E A C - 0 34 -68.3 145.5 177.6 -106.9 49.1 111.3 0 0.0 0 0.0 0 0.0 0 0.0 9 13
28 Q 29 HIS H e > T - 0 0 -73.9 129.0 -179.7 -127.7 27.2 126.0 33 -1.7 32 -2.0 0 0.0 0 0.0 9 13
29 Q 30 PRO P T T 4 TS+ 0 0 -50.4 -27.4 179.8 13.8 102.1 42.0 0 0.0 0 0.0 0 0.0 0 0.0 5 12
30 Q 31 LEU L T T 4 TS+ 0 0 -118.7 -37.4 -178.9 41.0 133.4 43.7 0 0.0 0 0.0 0 0.0 0 0.0 4 9
31 Q 32 TYR Y T T 4 TS- 0 0 -90.8 -7.3 177.6 -149.0 86.0 57.1 0 0.0 33 -1.5 0 0.0 0 0.0 6 10
32 Q 33 GLY G t < T + 0 0 67.9 -33.5 -178.3 132.1 49.6 89.2 28 -2.0 0 0.0 0 0.0 0 0.0 7 11
33 Q 34 LYS K e - 0 0 -54.5 140.7 179.9 -106.5 67.6 101.9 31 -1.5 28 -1.7 0 0.0 0 0.0 6 13
34 Q 35 VAL V E E AC - 27 0 -69.8 133.2 -179.2 -167.1 41.6 122.9 0 0.0 0 0.0 0 0.0 0 0.0 8 15
35 Q 36 ILE I E E AC - 26 0 -129.2 139.3 179.5 -135.5 15.0 168.0 26 -3.3 26 -0.5 0 0.0 0 0.0 8 16
36 Q 37 LYS K E E AC + 25 0 -82.8 164.2 -179.8 170.0 28.6 114.6 0 0.0 0 0.0 0 0.0 0 0.0 8 18
37 Q 38 ARG R E E AC - 24 0 -171.7 147.1 -177.5 -162.7 9.7 154.6 24 -1.0 24 -2.6 0 0.0 0 0.0 7 23
38 Q 39 SER S E E AC - 23 0 -137.6 -179.2 -178.8 -166.7 11.2 142.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
39 Q 40 LYS K E E AC - 22 0 -165.7 149.6 179.4 -127.2 20.0 167.1 22 -2.3 22 -2.6 0 0.0 0 0.0 7 36
40 Q 41 LYS K E E AC - 21 0 -109.3 129.0 178.0 -170.1 20.5 155.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
41 Q 42 TYR Y E E AC - 20 0 -113.2 141.5 177.8 -133.9 22.2 154.7 20 -2.7 20 -3.2 0 0.0 43 -1.1 10 48
42 Q 43 LEU L E E AC - 19 0 -95.8 94.5 -179.9 -166.1 31.7 143.1 67 -0.6 70 -0.6 0 0.0 0 0.0 12 50
43 Q 44 ALA A E E ACd - 18 70 -84.7 145.7 -179.2 -111.3 21.5 125.3 18 -2.1 18 -2.8 41 -1.1 0 0.0 14 55
44 Q 45 HIS H E E ACd - 17 71 -76.5 133.4 179.5 -176.8 29.2 122.3 70 -2.3 72 -1.8 0 0.0 0 0.0 12 49
45 Q 46 ASP D e > T + 0 0 -133.6 80.8 -179.7 175.5 5.2 135.1 16 -3.4 48 -1.8 0 0.0 0 0.0 12 45
46 Q 47 PRO P T T 3 TS+ 0 0 -52.3 -44.2 -178.2 40.4 84.2 30.3 0 0.0 0 0.0 0 0.0 0 0.0 7 30
47 Q 48 GLU E T T 3 TS- 0 0 -95.6 19.3 -178.6 -122.6 104.2 80.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
48 Q 49 GLU E t < T + 0 0 39.6 40.1 -177.6 150.2 64.4 27.6 45 -1.8 0 0.0 0 0.0 0 0.0 9 29
49 Q 50 LYS K + 0 0 -79.1 -13.6 -178.6 73.3 41.1 53.5 0 0.0 0 0.0 0 0.0 0 0.0 6 35
50 Q 51 TYR Y - 0 0 -115.1 134.6 -178.9 -160.1 63.0 154.1 0 0.0 0 0.0 0 0.0 0 0.0 10 44
51 Q 52 LYS K t > T - 0 0 -108.6 160.8 -179.1 -77.3 37.5 132.5 0 0.0 54 -2.3 0 0.0 0 0.0 10 42
52 Q 53 LEU L T T 3 TS+ 0 0 -56.3 110.3 -179.6 29.0 118.0 109.7 0 0.0 0 0.0 0 0.0 0 0.0 11 44
53 Q 54 GLY G T T 3 TS+ 0 0 122.9 -16.3 179.2 130.9 84.5 79.4 9 -1.3 0 0.0 0 0.0 0 0.0 13 39
54 Q 55 ASP D e < T - 0 0 -67.6 149.9 177.3 -136.6 54.4 110.1 51 -2.3 9 -2.7 0 0.0 56 -0.8 14 42
55 Q 56 VAL V E E AAE + 8 77 -109.1 98.2 -178.5 174.7 38.8 153.8 77 -1.8 76 -3.1 0 0.0 77 -1.0 14 46
56 Q 57 VAL V E E AAE - 7 75 -103.7 169.7 175.7 -122.2 32.0 122.3 7 -1.1 7 -1.9 54 -0.8 0 0.0 15 49
57 Q 58 GLU E E E AAE - 6 74 -108.9 138.5 -178.6 -149.1 24.6 155.4 74 -2.1 73 -3.1 0 0.0 74 -0.7 13 46
58 Q 59 ILE I E E AAE - 5 72 -110.0 141.5 -178.6 -154.5 7.0 151.1 5 -3.6 5 -3.3 0 0.0 0 0.0 15 48
59 Q 60 ILE I E E AAE - 4 71 -120.4 137.3 179.2 -108.2 25.9 160.5 71 -2.9 71 -2.3 0 0.0 0 0.0 12 39
60 Q 61 GLU E E E A E + 0 70 -60.2 132.4 -178.6 178.0 53.1 114.8 3 -2.4 0 0.0 0 0.0 0 0.0 10 32
61 Q 62 SER S E E A * - 0 0 -137.4 171.5 177.2 -82.3 36.6 150.2 69 -2.9 0 0.0 0 0.0 0 0.0 9 29
62 Q 63 ARG R E E A * S- 0 0 -69.3 136.3 -180.0 -79.6 73.1 121.4 0 0.0 0 0.0 0 0.0 0 0.0 6 24
63 Q 64 PRO P E E A * + 0 0 -40.8 134.3 -180.0 176.5 49.1 91.0 0 0.0 0 0.0 0 0.0 0 0.0 8 23
64 Q 65 ILE I E E A * - 0 0 -110.9 -34.2 178.4 -17.5 69.6 48.6 68 -2.3 0 0.0 0 0.0 0 0.0 8 24
65 Q 66 SER S E E A E> TS- 0 68 -159.7 170.9 176.3 -71.6 90.1 156.8 68 -1.3 68 -1.1 0 0.0 0 0.0 6 23
66 Q 67 LYS K T T 3 TS+ 0 0 -63.1 151.1 178.5 20.0 130.6 118.2 0 0.0 0 0.0 0 0.0 0 0.0 6 15
67 Q 68 ARG R T T 3 TS+ 0 0 75.0 -27.6 178.5 95.6 107.8 81.6 0 0.0 69 -0.6 0 0.0 42 -0.6 5 24
68 Q 69 LYS K E E A E< T + 0 65 -103.9 115.4 -179.9 136.8 29.4 153.6 65 -1.1 64 -2.3 0 0.0 65 -1.3 11 31
69 Q 70 ARG R E E A * + 0 0 -138.8 15.3 -179.3 68.6 57.3 82.1 67 -0.6 61 -2.9 0 0.0 0 0.0 13 33
70 Q 71 PHE F E E AdE - 43 60 -138.0 152.1 179.4 -152.5 59.8 165.6 42 -0.6 44 -2.3 0 0.0 0 0.0 14 42
71 Q 72 ARG R E E AdE - 44 59 -125.1 147.0 179.0 -104.9 32.3 160.8 59 -2.3 59 -2.9 0 0.0 73 -0.5 11 48
72 Q 73 VAL V E E A E - 0 58 -72.3 118.9 -178.9 -176.3 36.9 127.5 44 -1.8 0 0.0 0 0.0 0 0.0 12 54
73 Q 74 LEU L E E A * - 0 0 -81.5 -58.8 179.5 -27.7 56.1 18.5 57 -3.1 0 0.0 71 -0.5 0 0.0 8 44
74 Q 75 ARG R E E A E - 0 57 -161.4 154.3 179.4 -103.1 58.4 172.1 57 -0.7 57 -2.1 0 0.0 0 0.0 7 36
75 Q 76 LEU L E E A E - 0 56 -77.3 139.6 -179.6 -176.1 27.0 123.4 0 0.0 0 0.0 0 0.0 0 0.0 11 37
76 Q 77 VAL V E E A * S- 0 0 -106.3 -40.5 176.7 -7.0 71.0 39.2 55 -3.1 0 0.0 0 0.0 0 0.0 8 29
77 Q 78 GLU E E E A E S- 0 55 -159.9 121.7 -178.0 -131.5 73.4 148.3 55 -1.0 55 -1.8 0 0.0 0 0.0 7 29
78 Q 79 SER S + 0 0 -72.3 166.0 179.0 7.9 64.7 100.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
79 Q 80 GLY G + 0 0 28.3 125.3 177.4 141.6 57.4 35.2 0 0.0 0 0.0 0 0.0 0 0.0 9 26
80 Q 81 ARG R h > > T + 0 0 173.4 79.5 -179.3 172.6 13.1 98.8 0 0.0 83 -1.3 0 0.0 84 -0.8 9 27
81 Q 82 MET M H H > 3 T + 0 0 -71.0 -10.4 179.3 91.4 67.7 57.5 0 0.0 85 -5.3 0 0.0 0 0.0 8 29
82 Q 83 ASP D H H > 3 TS+ 0 0 -52.0 -38.1 179.2 37.4 98.5 21.5 0 0.0 86 -1.4 0 0.0 0 0.0 6 23
83 Q 84 LEU L H H > < TS+ 0 0 -76.7 -48.0 179.0 48.3 117.3 23.3 80 -1.3 87 -1.7 0 0.0 0 0.0 9 35
84 Q 85 VAL V H H X TS+ 0 0 -58.6 -40.6 -179.8 60.3 106.9 24.7 80 -0.8 88 -2.7 0 0.0 0 0.0 13 38
85 Q 86 GLU E H H X TS+ 0 0 -51.4 -55.2 179.7 51.7 101.6 19.7 81 -5.3 89 -2.5 0 0.0 0 0.0 8 25
86 Q 87 LYS K H H X TS+ 0 0 -44.6 -65.9 -179.2 49.0 110.6 17.0 82 -1.4 90 -2.7 0 0.0 0 0.0 8 29
87 Q 88 TYR Y H H X TS+ 0 0 -41.3 -56.9 -178.8 48.8 110.7 29.4 83 -1.7 91 -2.3 0 0.0 0 0.0 9 34
88 Q 89 LEU L H H X TS+ 0 0 -56.8 -43.8 179.1 48.2 111.9 26.7 84 -2.7 92 -3.2 0 0.0 0 0.0 8 29
89 Q 90 ILE I H H X TS+ 0 0 -62.7 -46.5 179.5 54.5 108.0 19.1 85 -2.5 93 -2.4 0 0.0 0 0.0 8 21
90 Q 91 ARG R H H X TS+ 0 0 -51.7 -42.4 179.6 46.5 112.5 22.4 86 -2.7 94 -0.9 0 0.0 0 0.0 8 25
91 Q 92 ARG R H H X > TS+ 0 0 -63.4 -53.7 -179.6 55.6 107.1 15.4 87 -2.3 94 -1.6 0 0.0 95 -0.8 8 24
92 Q 93 GLN Q H H < 3 TS+ 0 0 -49.1 -38.3 179.8 59.1 101.2 34.4 88 -3.2 0 0.0 0 0.0 0 0.0 8 20
93 Q 94 ASN N H H X 3 TS+ 0 0 -62.6 -32.2 -179.4 67.9 94.9 33.5 89 -2.4 97 -1.2 0 0.0 0 0.0 10 19
94 Q 95 TYR Y H H < X TS+ 0 0 -50.8 -71.6 179.0 63.6 85.9 13.6 91 -1.6 96 -1.8 90 -0.9 97 -0.8 9 18
95 Q 96 GLN Q T h < 3 TS+ 0 0 -57.1 88.4 -178.5 45.1 108.5 111.1 91 -0.8 0 0.0 0 0.0 0 0.0 9 17
96 Q 97 SER S T T 4 3>TS+ 0 0 171.6 -68.9 179.5 71.7 88.6 104.4 94 -1.8 98 -3.0 0 0.0 101 -0.8 11 16
97 Q 98 LEU L T T < <5TS+ 0 0 -70.6 53.6 179.4 78.0 88.9 103.7 93 -1.2 0 0.0 94 -0.8 0 0.0 9 15
98 Q 99 SER S T T 5TS- 0 0 -121.1 -92.1 179.7 -16.5 112.0 59.4 96 -3.0 0 0.0 0 0.0 0 0.0 7 12
99 Q 100 LYS K T T 5TS+ 0 0 -94.7 -25.6 -179.0 9.2 141.6 46.2 0 0.0 0 0.0 0 0.0 0 0.0 5 10
100 Q 101 ARG R T T 5TS- 0 0 -119.1 -70.7 179.8 -92.4 103.3 45.2 0 0.0 0 0.0 0 0.0 0 0.0 6 12
101 Q 102 GLY G t 5555 5-turns
3-turns >33< >33< >33< >33< >33X33< 3-turns
bridge-2 BBB*B CCCCCCCCCCC dd EEEEEE****E E*EEE*EE*E bridge-2
bridge-1 AAAAA BBBB CCCCCCCCCCC AAAAA dd bridge-1
sheets AAAAAAAA AAAAAAAAAAA AAAAAAAAAAA AAAAAAAAAAA AAAAAAAAAA sheets
4-turns >444< >>>>XXXXXXXX