Secondary structure calculation program - copyright by David Keith Smith, 1989
1h6kZ.pdb
1H6K NUCLEAR PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 78
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 Z 38 LYS K 0 0 999.9 -52.8 179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
2 Z 39 SER S - 0 0 -60.2 141.6 176.6 -173.8 999.9 108.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
3 Z 40 CYS C e + 0 0 -118.0 15.5 -175.2 97.7 56.3 83.9 0 0.0 48 -2.8 0 0.0 0 0.0 13 38
4 Z 41 THR T E E AA - 47 0 -117.8 138.6 179.1 -164.3 51.8 153.5 0 0.0 76 -2.8 0 0.0 0 0.0 12 50
5 Z 42 LEU L E E AAB - 46 75 -119.6 139.7 166.7 -140.5 16.5 158.6 46 -3.0 46 -2.7 0 0.0 0 0.0 12 57
6 Z 43 TYR Y E E AAB - 45 74 -80.4 143.7 175.1 -156.8 24.5 135.9 74 -2.9 74 -1.7 0 0.0 0 0.0 12 47
7 Z 44 VAL V E E AAB - 44 73 -127.7 127.6 -179.4 -174.4 13.4 176.7 44 -2.5 44 -1.9 0 0.0 0 0.0 13 58
8 Z 45 GLY G E E A B + 0 72 -120.8 167.3 -179.8 40.4 51.9 138.6 72 -3.6 72 -2.1 0 0.0 0 0.0 10 45
9 Z 46 ASN N + 0 0 73.2 20.7 179.4 160.1 69.2 50.2 0 0.0 0 0.0 0 0.0 0 0.0 10 34
10 Z 47 LEU L - 0 0 -72.4 144.9 173.9 -110.8 43.5 115.7 42 -3.0 0 0.0 0 0.0 0 0.0 14 42
11 Z 48 SER S t > T - 0 0 -68.8 155.6 179.7 -113.6 26.5 112.5 0 0.0 14 -1.7 0 0.0 0 0.0 9 27
12 Z 49 PHE F T T 3 TS+ 0 0 -57.5 -39.4 -179.7 49.2 117.4 31.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
13 Z 50 TYR Y T T 3 TS+ 0 0 -88.7 12.5 176.7 122.5 80.8 74.1 0 0.0 0 0.0 0 0.0 0 0.0 4 23
14 Z 51 THR T t < T - 0 0 -76.6 127.0 -176.2 -150.5 51.2 129.2 11 -1.7 0 0.0 0 0.0 0 0.0 10 34
15 Z 52 THR T h > T - 0 0 -101.7 161.3 175.8 -115.6 26.9 125.9 0 0.0 19 -2.1 0 0.0 0 0.0 6 34
16 Z 53 GLU E H H > TS+ 0 0 -55.5 -37.7 -178.5 57.4 117.3 31.4 0 0.0 20 -2.6 0 0.0 0 0.0 9 35
17 Z 54 GLU E H H > TS+ 0 0 -63.0 -45.8 -179.8 45.9 106.9 23.2 0 0.0 21 -2.4 0 0.0 0 0.0 6 27
18 Z 55 GLN Q H H > TS+ 0 0 -67.6 -35.0 178.3 50.9 112.4 32.4 0 0.0 22 -2.2 0 0.0 0 0.0 9 35
19 Z 56 ILE I H H X TS+ 0 0 -68.5 -40.8 176.1 52.3 108.9 24.0 15 -2.1 23 -2.8 0 0.0 0 0.0 10 53
20 Z 57 TYR Y H H X TS+ 0 0 -55.6 -49.8 -177.8 47.8 110.6 19.5 16 -2.6 24 -1.9 0 0.0 0 0.0 10 38
21 Z 58 GLU E H H < TS+ 0 0 -60.4 -45.2 -177.0 40.1 117.8 23.6 17 -2.4 0 0.0 0 0.0 0 0.0 8 27
22 Z 59 LEU L H H < > TS+ 0 0 -72.0 -53.0 -176.8 44.1 118.1 14.9 18 -2.2 25 -1.6 0 0.0 0 0.0 9 47
23 Z 60 PHE F H H < > TS+ 0 0 -69.5 -19.9 177.0 70.8 99.8 40.1 19 -2.8 26 -1.5 0 0.0 0 0.0 12 57
24 Z 61 SER S G h < > TS+ 0 0 -67.4 -13.9 -179.5 78.5 81.0 47.3 20 -1.9 27 -0.6 0 0.0 0 0.0 9 40
25 Z 62 LYS K G G < TS+ 0 0 -67.9 -21.5 177.3 44.3 95.8 42.1 22 -1.6 0 0.0 0 0.0 0 0.0 7 32
26 Z 63 SER S G G < TS- 0 0 -97.8 -8.0 179.0 -66.0 129.8 56.2 23 -1.5 0 0.0 0 0.0 0 0.0 11 36
27 Z 64 GLY G S g < TS- 0 0 149.4 -177.8 -176.3 -26.4 74.9 154.6 24 -0.6 0 0.0 0 0.0 0 0.0 9 33
28 Z 65 ASP D e - 0 0 -75.1 124.5 -178.8 -143.1 53.6 120.7 0 0.0 49 -1.6 0 0.0 0 0.0 9 30
29 Z 66 ILE I E E AC - 48 0 -89.2 126.6 175.2 -172.5 15.6 136.0 0 0.0 0 0.0 0 0.0 0 0.0 12 40
30 Z 67 LYS K E E A* - 0 0 -79.3 -45.9 -174.1 -7.0 69.6 25.1 47 -2.6 0 0.0 0 0.0 0 0.0 8 34
31 Z 68 LYS K E E AC - 47 0 -158.1 142.4 173.2 -158.7 49.4 174.2 47 -1.7 47 -3.0 0 0.0 0 0.0 8 41
32 Z 69 ILE I E E AC - 46 0 -122.8 132.9 178.0 -169.5 10.2 171.8 0 0.0 34 -0.5 0 0.0 0 0.0 12 43
33 Z 70 ILE I E E AC - 45 0 -122.8 115.9 177.5 -144.7 14.3 166.3 45 -2.2 45 -2.6 0 0.0 0 0.0 11 36
34 Z 71 MET M E E AC + 44 0 -76.8 140.1 -179.2 18.4 66.9 125.3 32 -0.5 0 0.0 0 0.0 0 0.0 9 37
35 Z 72 GLY G S e S- 0 0 94.8 -176.7 -177.3 -76.1 96.9 110.8 43 -2.3 0 0.0 0 0.0 0 0.0 11 31
36 Z 73 LEU L S S S+ 0 0 -103.2 -5.0 178.3 97.4 97.7 61.8 0 0.0 38 -1.0 0 0.0 0 0.0 9 29
37 Z 74 ASP D t > T - 0 0 -89.3 106.0 -175.7 -167.3 54.4 139.3 0 0.0 40 -1.6 0 0.0 0 0.0 5 21
38 Z 75 LYS K T T 3 TS+ 0 0 -70.0 -15.3 175.5 67.6 85.0 49.6 36 -1.0 0 0.0 0 0.0 0 0.0 7 25
39 Z 76 MET M T T 3 T 0 0 -85.4 15.5 177.4 999.9 999.9 76.4 0 0.0 0 0.0 0 0.0 0 0.0 3 17
40!Z 77 LYS K t < T 0 0 74.8 999.9 999.9 999.9 999.9 96.7 37 -1.6 0 0.0 0 0.0 0 0.0 6 17
41!Z 81 CYS C 0 0 999.9 2.4 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
42 Z 82 GLY G + 0 0 76.1 8.6 -179.5 108.2 999.9 56.5 0 0.0 10 -3.0 0 0.0 0 0.0 9 36
43 Z 83 PHE F e + 0 0 -117.4 158.1 171.7 165.4 36.3 143.8 0 0.0 35 -2.3 0 0.0 0 0.0 12 42
44 Z 84 CYS C E E AAC - 7 34 -156.5 167.6 175.6 -118.9 30.8 165.1 7 -1.9 7 -2.5 0 0.0 0 0.0 12 49
45 Z 85 PHE F E E AAC - 6 33 -111.4 134.3 174.3 -167.3 20.1 161.3 33 -2.6 33 -2.2 0 0.0 0 0.0 15 51
46 Z 86 VAL V E E AAC - 5 32 -120.9 121.0 179.8 -168.3 6.9 171.0 5 -2.7 5 -3.0 0 0.0 0 0.0 14 61
47 Z 87 GLU E E E AAC - 4 31 -113.1 128.4 178.2 -164.0 1.5 160.8 31 -3.0 30 -2.6 0 0.0 31 -1.7 12 51
48 Z 88 TYR Y E E A C - 0 29 -103.1 160.3 175.2 -128.4 27.4 131.9 3 -2.8 0 0.0 0 0.0 0 0.0 14 42
49 Z 89 TYR Y S e S+ 0 0 -75.2 -27.7 -179.7 43.6 95.0 39.7 28 -1.6 0 0.0 0 0.0 0 0.0 9 28
50 Z 90 SER S S h > TS- 0 0 -127.9 147.4 179.8 -139.1 70.2 160.9 0 0.0 54 -1.4 0 0.0 0 0.0 8 28
51 Z 91 ARG R H H > TS+ 0 0 -60.7 -46.5 178.3 60.0 104.7 23.4 0 0.0 55 -3.0 0 0.0 0 0.0 10 31
52 Z 92 ALA A H H > TS+ 0 0 -49.7 -41.6 -177.6 49.2 105.4 29.8 0 0.0 56 -1.9 0 0.0 0 0.0 6 29
53 Z 93 ASP D H H > TS+ 0 0 -71.9 -35.1 177.0 48.4 110.5 32.8 0 0.0 57 -1.2 0 0.0 0 0.0 13 35
54 Z 94 ALA A H H X TS+ 0 0 -69.3 -41.2 178.7 54.4 109.7 24.1 50 -1.4 58 -2.5 0 0.0 0 0.0 15 43
55 Z 95 GLU E H H X TS+ 0 0 -56.9 -43.0 -179.2 50.2 107.1 25.9 51 -3.0 59 -1.9 0 0.0 0 0.0 8 37
56 Z 96 ASN N H H X TS+ 0 0 -69.6 -26.5 174.2 53.8 107.5 38.5 52 -1.9 60 -2.3 0 0.0 0 0.0 10 36
57 Z 97 ALA A H H X >TS+ 0 0 -70.8 -43.3 174.5 49.1 108.7 21.2 53 -1.2 62 -2.1 0 0.0 61 -2.1 12 49
58 Z 98 MET M H H < 5TS+ 0 0 -58.0 -35.7 -177.4 45.3 116.5 29.1 54 -2.5 0 0.0 0 0.0 0 0.0 10 42
59 Z 99 ARG R H H < 5TS+ 0 0 -75.8 -38.7 -166.5 11.1 131.1 29.4 55 -1.9 0 0.0 0 0.0 0 0.0 7 31
60 Z 100 TYR Y H H < 5TS+ 0 0 -123.7 -19.7 -178.0 43.6 126.1 52.3 56 -2.3 0 0.0 0 0.0 0 0.0 9 27
61 Z 101 ILE I T h < >5TS+ 0 0 -98.1 -40.7 174.7 91.4 90.8 37.2 57 -2.1 64 -1.7 0 0.0 0 0.0 11 47
62 Z 102 ASN N T T 3 TS- 69 0 -143.0 118.8 -174.2 -5.1 90.0 161.8 69 -2.1 69 -1.6 0 0.0 0 0.0 12 36
67 Z 107 ASP D T T 3 TS- 0 0 59.3 36.0 178.5 -64.1 130.5 29.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
68 Z 108 ASP D T T 3 TS+ 0 0 65.4 9.8 175.0 119.0 112.9 58.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
69 Z 109 ARG R E E BD < T - 66 0 -104.5 142.7 177.5 -120.4 69.5 149.2 66 -1.6 66 -2.1 0 0.0 71 -0.7 10 27
70 Z 110 ILE I E E BD - 65 0 -79.6 114.3 -177.0 -151.9 35.4 133.3 0 0.0 0 0.0 0 0.0 0 0.0 10 29
71 Z 111 ILE I e - 0 0 -90.5 162.1 -179.9 -147.9 5.0 116.9 64 -2.5 63 -2.1 69 -0.7 0 0.0 13 39
72 Z 112 ARG R E E AB - 8 0 -127.6 140.3 178.2 -173.1 12.7 169.9 8 -2.1 8 -3.6 0 0.0 0 0.0 9 40
73 Z 113 THR T E E AB + 7 0 -131.5 153.1 175.6 167.4 7.5 161.7 0 0.0 0 0.0 0 0.0 0 0.0 11 47
74 Z 114 ASP D E E AB - 6 0 -158.4 160.1 -176.5 -77.9 41.6 166.9 6 -1.7 6 -2.9 0 0.0 0 0.0 8 40
75 Z 115 TRP W E E AB - 5 0 -64.8 136.4 170.2 -148.9 22.3 108.1 0 0.0 77 -1.0 0 0.0 0 0.0 9 35
76 Z 116 ASP D e + 0 0 -98.9 81.9 -175.0 178.6 39.2 140.6 4 -2.8 0 0.0 0 0.0 0 0.0 9 35
77 Z 117 ALA A 0 0 -92.1 160.1 -177.0 999.9 999.9 119.6 75 -1.0 0 0.0 0 0.0 0 0.0 6 21
78 Z 118 GLY G 0 0 -54.9 999.9 999.9 999.9 999.9 57.6 0 0.0 0 0.0 0 0.0 0 0.0 3 13
1h6kZ.pdb
1H6K NUCLEAR PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE TT HHHHHHHHGGGS EEEEEESS TT EEEEESSHHHHHHHHHHTTTSEETTEE EEEE Kabs/Sand
chirality -+----++--++--++++++++++--------+-+-+ ++-----+-+++++++++++++-+--+----+--+ chirality
bends SS SSSSSSSSSSSS SS S SSSSSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >33< >33< >33< 3-turns
bridge-2 BBBB CCCCC bridge-2
bridge-1 AAAA C*CCCC AAAA DD DD BBBB bridge-1
sheets AAAAA AAAAAA AAAAA BB BB AAAA sheets
4-turns >>>>XX<<<< >>>>XXXX<<<< 4-turns
summary eEEEEE tTTthHHHHHHHHhGGgeEEEEEEeStTTt eEEEEEehHHHHHHHHHHhTTeEETTEEeEEEEe summary
sequence KSCTLYVGNLSFYTTEEQIYELFSKSGDIKKIIMGLDKMKCGFCFVEYYSRADAENAMRYINGTRLDDRIIRTDWDAG sequence
10 20 30 40 50 60 70
Messages
chain break between 40(Z 77 ) and 41(Z 81 )