Secondary structure calculation program - copyright by David Keith Smith, 1989
1d8jA.pdb
1D8J GENE REGULATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 81
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 1 ALA A 0 0 999.9 167.0 179.9 999.9 999.9 999.9 0 0.0 3 -1.9 0 0.0 0 0.0 2 8
2 A 2 LEU L + 0 0 -82.2 57.7 -179.7 128.1 999.9 111.2 0 0.0 0 0.0 0 0.0 0 0.0 5 10
3 A 3 SER S + 0 0 -81.1 -35.9 -179.7 51.5 68.4 33.5 1 -1.9 0 0.0 0 0.0 0 0.0 4 7
4 A 4 GLY G S S S- 0 0 -64.6 -62.1 -179.9 -58.7 124.7 9.0 0 0.0 0 0.0 0 0.0 0 0.0 4 8
5 A 5 SER S - 0 0 -165.2 -170.2 179.9 -118.2 38.8 154.0 0 0.0 0 0.0 0 0.0 0 0.0 5 11
6 A 6 SER S S S S+ 0 0 -152.8 97.0 -179.6 91.0 70.2 138.2 0 0.0 0 0.0 0 0.0 0 0.0 7 14
7 A 7 GLY G t > >T + 0 0 -152.0 -47.7 179.7 102.5 49.7 69.0 0 0.0 11 -2.3 0 0.0 12 -0.8 7 18
8 A 8 TYR Y T T 4 5TS- 0 0 -53.8 123.6 -179.1 -19.0 110.2 107.9 0 0.0 10 -2.5 0 0.0 0 0.0 6 26
9 A 9 LYS K T h > 5TS+ 0 0 74.9 -59.9 -173.8 69.8 134.4 110.8 0 0.0 13 -3.0 0 0.0 0 0.0 7 35
10 A 10 PHE F H H > 5TS+ 0 0 -56.4 -51.9 -178.7 45.0 99.0 23.9 8 -2.5 14 -2.8 0 0.0 0 0.0 8 30
11 A 11 GLY G H H X 5TS+ 0 0 -59.4 -49.8 -179.8 47.1 115.6 20.5 7 -2.3 15 -2.2 0 0.0 0 0.0 9 27
12 A 12 VAL V H H > TS+ 0 0 -59.2 -36.7 178.0 47.6 116.1 29.2 19 -3.1 28 -1.3 0 0.0 27 -1.2 10 31
24 A 24 HIS H H H < 5TS+ 0 0 -68.6 -41.8 -178.8 55.4 108.7 26.4 20 -2.5 0 0.0 0 0.0 0 0.0 11 32
25 A 25 GLN Q H H < 5TS+ 0 0 -58.3 -48.3 -176.6 49.9 105.7 24.4 21 -2.4 0 0.0 0 0.0 0 0.0 8 24
26 A 26 ARG R H H < 5TS- 0 0 -65.2 -33.4 179.1 -81.4 133.3 33.1 22 -2.3 0 0.0 0 0.0 0 0.0 6 17
27 A 27 GLY G T h < 5TS+ 0 0 158.2 -31.0 -178.7 107.3 100.8 83.3 23 -1.2 29 -2.6 0 0.0 0 0.0 6 17
28 A 28 ASP D t T - 0 0 -64.7 167.6 178.5 -105.7 35.3 99.3 0 0.0 37 -1.5 0 0.0 0 0.0 9 38
34 A 34 LEU L H H > TS+ 0 0 -60.5 -48.9 -179.5 49.5 122.4 18.9 0 0.0 38 -2.1 0 0.0 0 0.0 9 46
35 A 35 ASP D H H > TS+ 0 0 -56.7 -49.8 179.8 55.7 105.7 22.1 0 0.0 39 -1.8 0 0.0 0 0.0 7 33
36 A 36 GLU E H H > TS+ 0 0 -52.6 -36.1 179.8 48.1 110.0 32.2 0 0.0 40 -1.2 0 0.0 0 0.0 8 34
37 A 37 ILE I H H X TS+ 0 0 -71.6 -45.3 -178.7 58.8 104.5 23.0 33 -1.5 41 -1.9 0 0.0 0 0.0 11 46
38 A 38 LEU L H H X >TS+ 0 0 -48.0 -57.8 -177.3 51.2 104.2 21.5 34 -2.1 43 -2.6 0 0.0 42 -0.8 12 41
39 A 39 ASP D H H < >5TS+ 0 0 -46.0 -63.9 -176.3 42.2 112.9 22.0 35 -1.8 42 -1.8 0 0.0 0 0.0 9 25
40 A 40 GLU E H H < 35TS+ 0 0 -59.9 -27.2 -178.7 48.7 117.4 41.3 36 -1.2 0 0.0 0 0.0 0 0.0 8 30
41 A 41 THR T H H < 35TS- 0 0 -93.3 -1.0 -179.7 -117.4 113.1 63.6 37 -1.9 0 0.0 0 0.0 0 0.0 10 35
42 A 42 GLN Q T h < <5TS+ 0 0 66.6 41.2 179.9 119.1 81.7 27.2 39 -1.8 0 0.0 38 -0.8 0 0.0 6 26
43 A 43 HIS H t T - 0 0 157.3 148.8 -178.2 -97.7 18.2 132.7 0 0.0 51 -3.0 0 0.0 0 0.0 6 22
48 A 48 LEU L H H > TS+ 0 0 -53.9 -40.0 -178.9 57.8 120.4 29.6 0 0.0 52 -2.7 0 0.0 0 0.0 6 21
49 A 49 LYS K H H > TS+ 0 0 -55.9 -58.9 -178.4 31.8 115.9 15.6 0 0.0 53 -2.4 0 0.0 0 0.0 6 21
50 A 50 GLN Q H H > TS+ 0 0 -67.1 -50.1 178.2 55.9 117.5 18.3 0 0.0 54 -3.1 0 0.0 0 0.0 9 33
51 A 51 LYS K H H X TS+ 0 0 -46.0 -51.1 -179.3 41.8 113.6 24.6 47 -3.0 55 -1.8 0 0.0 0 0.0 9 34
52 A 52 GLN Q H H X TS+ 0 0 -64.5 -47.4 -179.4 52.6 113.3 21.3 48 -2.7 56 -2.9 0 0.0 0 0.0 8 27
53 A 53 TRP W H H < >TS+ 0 0 -56.6 -41.5 179.9 51.7 108.2 28.2 49 -2.4 58 -2.0 0 0.0 0 0.0 9 29
54 A 54 LEU L H H < >>TS+ 0 0 -61.1 -45.5 -177.6 43.3 114.3 22.2 50 -3.1 59 -2.4 0 0.0 57 -0.6 11 47
55 A 55 MET M H H < 35TS+ 0 0 -66.8 -47.2 -173.1 29.2 126.5 24.5 51 -1.8 0 0.0 0 0.0 0 0.0 10 38
56 A 56 THR T T h < 35TS+ 0 0 -110.9 33.4 178.1 8.8 137.8 94.8 52 -2.9 0 0.0 0 0.0 0 0.0 8 25
57 A 57 GLU E T h > X5TS+ 0 0 -165.5 -67.4 -175.6 42.9 121.5 84.7 54 -0.6 61 -2.3 0 0.0 60 -0.9 9 28
58 A 58 ALA A H H > 3 T - 0 0 -60.8 120.7 -177.9 -151.0 65.8 114.8 58 -2.4 65 -0.9 0 0.0 0 0.0 8 34
63 A 63 PRO P T T 3 TS+ 0 0 -63.2 -36.9 -178.0 58.9 93.8 32.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
64 A 64 LYS K T e 3 TS+ 0 0 -66.8 -20.5 180.0 81.2 92.5 44.6 0 0.0 75 -2.1 0 0.0 66 -0.6 8 40
65 A 65 ILE I E E AA < T - 74 0 -92.5 117.2 180.0 -166.3 67.0 143.4 62 -0.9 67 -0.5 0 0.0 0 0.0 13 45
66 A 66 GLU E E E AA - 73 0 -106.6 122.6 178.2 -141.8 13.4 155.7 73 -2.6 73 -2.6 64 -0.6 68 -0.5 11 38
67 A 67 VAL V E E AA + 72 0 -83.6 121.4 -178.7 148.9 38.4 137.3 65 -0.5 0 0.0 0 0.0 0 0.0 11 32
68 A 68 ILE I e + 0 0 -116.0 -98.7 -179.6 11.2 69.4 58.6 71 -1.6 70 -1.8 66 -0.5 0 0.0 8 25
69 A 69 ASP D S S S- 0 0 -82.5 52.8 -178.1 -78.0 121.5 107.8 0 0.0 71 -0.5 0 0.0 0 0.0 6 18
70 A 70 GLY G S S S+ 0 0 76.8 -33.0 -179.5 98.3 116.5 90.6 68 -1.8 0 0.0 0 0.0 0 0.0 6 22
71 A 71 LYS K S e S- 0 0 -77.8 176.5 -176.8 -99.7 83.2 98.5 69 -0.5 68 -1.6 0 0.0 0 0.0 10 31
72 A 72 TYR Y E E AAA + 67 32 -109.1 129.3 178.8 174.1 40.8 153.2 32 -2.5 32 -2.5 0 0.0 0 0.0 14 46
73 A 73 ALA A E E AA - 66 0 -122.1 172.3 178.1 -101.5 33.4 136.7 66 -2.6 66 -2.6 0 0.0 0 0.0 13 46
74 A 74 PHE F E E AA - 65 0 -97.1 148.1 -175.8 -128.4 30.5 136.3 0 0.0 0 0.0 0 0.0 0 0.0 13 47
75 A 75 LYS K e + 0 0 -104.0 107.0 177.7 162.0 34.8 149.6 64 -2.1 0 0.0 0 0.0 0 0.0 9 38
76 A 76 PRO P t > > T + 0 0 -82.0 -52.4 -174.7 87.8 51.5 23.0 0 0.0 80 -2.8 0 0.0 79 -0.7 8 31
77 A 77 LYS K T T 4 3 TS+ 0 0 -53.9 152.0 -179.8 4.0 98.7 91.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
78 A 78 TYR Y T T 4 3 TS+ 0 0 36.2 49.2 178.3 53.7 132.2 35.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
79 A 79 ASN N T T 4 < TS+ 0 0 -164.6 -49.7 179.8 34.2 106.1 78.5 76 -0.7 0 0.0 0 0.0 0 0.0 6 17
80 A 80 VAL V t < T 0 0 -122.5 151.3 179.4 999.9 999.9 154.2 76 -2.8 0 0.0 0 0.0 0 0.0 5 19
81 A 81 ARG R 0 0 -127.1 999.9 999.9 999.9 999.9 57.0 0 0.0 0 0.0 0 0.0 0 0.0 5 11
1d8jA.pdb
1D8J GENE REGULATION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S S TTHHHHHHHHHHHHHHHHHT S B HHHHHHHHT SS HHHHHHHHTTHHHH TTEEE SSSEEE TTT Kabs/Sand
chirality ++--++-+++++++++++++++++-+++----+++++++-++++--++++++++++++++-++--++-+-+--+++++ chirality
bends S S SSSSSSSSSSSSSSSSSSSS S SSSSSSSSS SS SSSSSSSSSSSSSS SS SSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< >5555< >5555< >>555<< 5-turns
3-turns >33< >33X33< >33< >33< 3-turns
bridge-2 A bridge-2
bridge-1 A AAA AAA bridge-1
sheets AAA AAA sheets
4-turns >4>>X>XXXXXXXXXXX<<<< >>>>XX<<<< >>>>XX<<<<>>44<< >444< 4-turns
summary S StThHHHHHHHHHHHHHHHHHht S BhHHHHHHHHhtSS hHHHHHHHHhhHHHHhTeEEEeSSeEEEetTTTt summary
sequence ALSGSSGYKFGVLAKIVNYMKTRHQRGDTHPLTLDEILDETQHLDIGLKQKQWLMTEALVNNPKIEVIDGKYAFKPKYNVR sequence
10 20 30 40 50 60 70 80