Secondary structure calculation program - copyright by David Keith Smith, 1989
1kkdA.pdb
1KKD SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 92
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 ARG R 0 0 999.9 94.7 180.0 999.9 999.9 999.9 0 0.0 3 -1.2 0 0.0 0 0.0 3 5
2 A 2 LYS K + 0 0 -95.5 66.5 -180.0 58.2 999.9 122.9 0 0.0 0 0.0 0 0.0 0 0.0 3 6
3 A 3 LEU L S S S+ 0 0 -174.1 174.6 -180.0 26.9 80.8 164.6 1 -1.2 0 0.0 0 0.0 0 0.0 4 8
4 A 4 GLU E S S S+ 0 0 47.3 -173.8 -180.0 73.4 81.9 81.2 0 0.0 0 0.0 0 0.0 0 0.0 6 8
5 A 5 LEU L S S S+ 0 0 62.1 177.8 180.0 67.7 70.2 85.1 0 0.0 0 0.0 0 0.0 0 0.0 4 8
6 A 6 THR T S S S- 0 0 37.5 58.9 180.0 -165.9 78.4 27.6 0 0.0 0 0.0 0 0.0 0 0.0 4 10
7 A 7 LYS K + 0 0 -63.2 176.8 -180.0 57.8 47.0 89.6 0 0.0 0 0.0 0 0.0 0 0.0 5 11
8 A 8 ALA A - 0 0 66.3 126.7 -179.9 -179.2 44.5 47.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
9 A 9 GLU E S S S+ 0 0 -140.5 13.8 -180.0 56.5 76.0 81.4 0 0.0 0 0.0 0 0.0 0 0.0 4 11
10 A 10 LYS K S S S- 0 0 -114.9 -37.0 -180.0 -150.6 86.7 47.9 0 0.0 0 0.0 0 0.0 0 0.0 4 8
11 A 11 HIS H + 0 0 66.7 131.8 180.0 166.3 23.4 51.4 0 0.0 0 0.0 0 0.0 0 0.0 6 11
12 A 12 VAL V + 0 0 -177.9 130.7 -180.0 15.6 56.8 140.9 0 0.0 0 0.0 0 0.0 0 0.0 4 14
13 A 13 HIS H + 0 0 65.8 49.4 -180.0 160.9 64.2 19.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
14 A 14 ASN N + 0 0 -92.7 37.6 -180.0 159.8 20.3 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 15
15 A 15 PHE F - 0 0 -52.3 171.9 -180.0 -79.4 60.5 84.7 0 0.0 17 -2.3 0 0.0 0 0.0 6 12
16 A 16 MET M S S S- 0 0 -78.5 70.6 -180.0 -69.7 84.6 118.1 0 0.0 18 -2.5 0 0.0 0 0.0 5 11
17 A 17 MET M S S S- 0 0 76.4 -54.7 180.0 -13.8 117.2 106.9 15 -2.3 0 0.0 0 0.0 0 0.0 5 12
18 A 18 ASP D + 0 0 178.4 105.2 180.0 179.4 57.3 120.1 16 -2.5 0 0.0 0 0.0 0 0.0 7 12
19 A 19 THR T S S S- 0 0 -112.0 60.5 -180.0 -65.6 78.4 120.4 0 0.0 0 0.0 0 0.0 0 0.0 7 12
20 A 20 GLN Q S S S+ 0 0 57.9 55.7 -180.0 112.3 108.6 16.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
21 A 21 LEU L + 0 0 -119.5 -50.5 -180.0 70.1 53.9 47.4 0 0.0 23 -1.8 0 0.0 0 0.0 5 15
22 A 22 THR T S S S+ 0 0 -76.8 85.6 180.0 173.0 71.6 124.5 0 0.0 0 0.0 0 0.0 0 0.0 6 15
23 A 23 LYS K - 0 0 -82.8 -175.5 -180.0 -91.2 32.7 96.9 21 -1.8 0 0.0 0 0.0 0 0.0 7 15
24 A 24 ARG R - 0 0 -79.5 -157.0 -180.0 -60.0 65.6 78.9 0 0.0 26 -1.2 0 0.0 0 0.0 6 14
25 A 25 VAL V S S S- 0 0 -85.5 48.7 180.0 -56.2 106.7 105.9 0 0.0 0 0.0 0 0.0 0 0.0 6 14
26 A 26 LYS K S S S- 0 0 82.6 29.4 -180.0 -85.9 80.8 39.4 24 -1.2 0 0.0 0 0.0 0 0.0 6 12
27 A 27 ASN N S S S+ 0 0 40.3 30.6 180.0 139.5 92.6 38.7 0 0.0 0 0.0 0 0.0 0 0.0 7 14
28 A 28 ALA A + 0 0 -76.5 -10.4 -180.0 69.5 57.4 54.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
29 A 29 ALA A t > T + 0 0 -71.1 -50.8 -180.0 157.0 61.7 19.0 0 0.0 32 -2.4 0 0.0 31 -2.2 8 17
30 A 30 ALA A T T 3 TS- 0 0 62.6 -83.5 180.0 -16.8 87.6 113.4 0 0.0 0 0.0 0 0.0 0 0.0 6 16
31 A 31 ASN N T T > 3 TS- 0 0 -138.3 22.2 -180.0 -112.2 88.1 87.7 29 -2.2 35 -3.1 0 0.0 0 0.0 9 16
32 A 32 VAL V T T 4 < T - 0 0 50.2 20.6 180.0 -97.1 54.1 43.9 29 -2.4 34 -3.8 0 0.0 0 0.0 7 18
33 A 33 LEU L T T 4 TS+ 0 0 69.8 -59.9 180.0 64.4 129.9 107.0 0 0.0 0 0.0 0 0.0 0 0.0 6 16
34 A 34 ARG R T T 4 TS- 0 0 -61.2 -30.1 -180.0 -166.0 81.7 36.7 32 -3.8 0 0.0 0 0.0 0 0.0 5 16
35 A 35 GLU E h X > T + 0 0 43.9 35.5 180.0 154.1 29.3 35.5 31 -3.1 39 -3.5 0 0.0 38 -1.8 8 17
36 A 36 THR T H H > 3 T + 0 0 -63.1 -22.6 180.0 59.0 68.8 42.8 0 0.0 40 -0.9 0 0.0 0 0.0 8 19
37 A 37 TRP W H H 4 3 TS+ 0 0 -93.2 22.9 180.0 32.4 117.5 86.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
38 A 38 LEU L H H 4 < TS+ 0 0 -141.1 -44.7 179.9 50.9 115.4 62.6 35 -1.8 0 0.0 0 0.0 0 0.0 6 18
39 A 39 ILE I H H < TS+ 0 0 -68.2 -39.5 180.0 112.2 84.1 28.3 35 -3.5 0 0.0 0 0.0 0 0.0 6 16
40 A 40 TYR Y h < T + 0 0 -34.5 142.1 180.0 179.2 46.2 85.5 36 -0.9 0 0.0 0 0.0 0 0.0 8 16
41 A 41 LYS K - 0 0 -154.9 141.3 180.0 -5.4 56.0 168.4 43 -0.6 43 -3.2 0 0.0 0 0.0 5 12
42 A 42 ASN N S S S+ 0 0 73.8 -61.0 180.0 22.2 131.6 109.7 0 0.0 0 0.0 0 0.0 0 0.0 4 10
43 A 43 THR T - 0 0 -129.2 174.5 180.0 -173.9 52.5 139.9 41 -3.2 41 -0.6 0 0.0 0 0.0 5 11
44 A 44 LYS K + 0 0 -168.4 58.2 -180.0 143.8 28.4 100.4 0 0.0 46 -0.8 0 0.0 0 0.0 6 15
45 A 45 LEU L + 0 0 -104.8 68.7 -180.0 114.0 35.8 127.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
46 A 46 VAL V + 0 0 -143.1 101.9 180.0 127.1 32.6 148.4 44 -0.8 0 0.0 0 0.0 0 0.0 4 18
47 A 47 LYS K - 0 0 -152.9 155.0 -179.9 -78.8 66.1 169.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
48 A 48 LYS K - 0 0 -58.8 120.0 -180.0 -109.7 59.9 112.7 0 0.0 0 0.0 0 0.0 0 0.0 5 12
49 A 49 ILE I S S S+ 0 0 -44.3 164.3 180.0 49.2 90.0 85.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
50 A 50 ASP D + 0 0 64.0 112.9 -179.9 116.7 61.6 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
51 A 51 HIS H + 0 0 -170.1 -42.0 -180.0 39.0 68.6 80.0 0 0.0 0 0.0 0 0.0 0 0.0 6 13
52 A 52 ALA A S S S- 0 0 -116.0 -179.6 180.0 -83.0 98.0 124.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
53 A 53 LYS K - 0 0 -46.7 -64.1 -179.9 -170.5 56.4 17.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
54 A 54 VAL V + 0 0 66.1 101.9 180.0 156.4 16.1 25.8 0 0.0 0 0.0 0 0.0 0 0.0 7 21
55 A 55 ARG R + 0 0 -130.0 -150.1 -180.0 3.7 46.7 110.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
56 A 56 LYS K S S S+ 0 0 -41.2 122.6 180.0 140.9 74.0 96.6 0 0.0 0 0.0 0 0.0 0 0.0 7 14
57 A 57 HIS H S S S- 0 0 -174.2 104.6 -180.0 -39.0 76.5 126.1 0 0.0 59 -3.3 0 0.0 0 0.0 6 12
58 A 58 GLN Q S S S+ 0 0 72.3 -59.3 -180.0 38.8 136.1 108.0 0 0.0 0 0.0 0 0.0 0 0.0 4 8
59 A 59 ARG R S S S- 0 0 -128.1 123.0 -180.0 -115.3 93.7 170.3 57 -3.3 0 0.0 0 0.0 0 0.0 5 9
60 A 60 LYS K - 0 0 -44.8 165.0 -180.0 -130.3 34.2 84.9 0 0.0 0 0.0 0 0.0 0 0.0 7 12
61 A 61 PHE F - 0 0 -119.9 170.4 180.0 -152.6 14.6 136.1 0 0.0 0 0.0 0 0.0 0 0.0 6 17
62 A 62 LEU L - 0 0 -136.6 171.7 180.0 -104.8 20.2 147.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
63 A 63 GLN Q S S S+ 0 0 -84.1 -167.0 180.0 73.8 85.9 90.5 0 0.0 0 0.0 0 0.0 0 0.0 6 15
64 A 64 ALA A S S S+ 0 0 70.5 16.9 -179.9 94.9 85.9 47.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
65 A 65 ILE I S S S- 0 0 -101.0 -109.8 -180.0 -48.5 104.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
66 A 66 HIS H S S S+ 0 0 -130.7 51.9 -180.0 101.1 101.1 111.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
67 A 67 GLN Q S S S- 0 0 -141.2 135.1 -180.0 -10.8 75.9 177.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
68 A 68 LEU L S S S+ 0 0 68.0 177.7 180.0 97.3 80.7 88.7 0 0.0 0 0.0 0 0.0 0 0.0 4 15
69 A 69 ARG R + 0 0 65.9 80.7 -180.0 121.3 48.1 7.2 0 0.0 0 0.0 0 0.0 0 0.0 4 12
70 A 70 SER S + 0 0 -172.6 80.4 -180.0 139.1 6.0 111.0 0 0.0 0 0.0 0 0.0 0 0.0 5 14
71 A 71 VAL V S S S+ 0 0 -103.2 -10.4 180.0 18.3 84.5 60.1 0 0.0 0 0.0 0 0.0 0 0.0 4 11
72 A 72 LYS K - 0 0 -164.9 117.2 -180.0 -136.9 67.6 143.3 0 0.0 0 0.0 0 0.0 0 0.0 4 11
73 A 73 MET M + 0 0 -41.0 -40.5 180.0 178.9 48.5 34.2 0 0.0 0 0.0 0 0.0 0 0.0 7 13
74 A 74 GLU E - 0 0 54.2 173.0 180.0 -32.2 40.0 76.7 0 0.0 0 0.0 0 0.0 0 0.0 5 10
75 A 75 GLN Q S S S+ 0 0 -48.1 174.4 180.0 60.6 111.4 81.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
76 A 76 ARG R + 0 0 62.1 82.9 180.0 166.0 67.5 8.5 0 0.0 0 0.0 0 0.0 0 0.0 5 11
77 A 77 LYS K - 0 0 -131.2 144.7 -180.0 -152.0 22.0 166.6 0 0.0 0 0.0 0 0.0 0 0.0 6 12
78 A 78 LEU L + 0 0 -112.3 163.1 -180.0 134.6 36.0 136.3 0 0.0 0 0.0 0 0.0 0 0.0 5 11
79 A 79 ASN N S S S+ 0 0 -171.9 -39.6 -180.0 29.0 84.0 80.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10
80 A 80 ASP D S S S- 0 0 -100.0 -58.9 180.0 -177.3 73.1 31.5 0 0.0 0 0.0 0 0.0 0 0.0 4 9
81 A 81 GLN Q + 0 0 53.6 97.4 180.0 137.5 24.9 21.0 0 0.0 0 0.0 0 0.0 0 0.0 5 9
82 A 82 ALA A + 0 0 -166.7 150.4 180.0 169.0 22.7 162.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
83 A 83 ASN N + 0 0 -171.5 118.1 -180.0 159.5 6.5 138.1 0 0.0 0 0.0 0 0.0 0 0.0 4 10
84 A 84 THR T + 0 0 -149.4 101.8 -180.0 144.7 14.6 143.8 0 0.0 0 0.0 0 0.0 0 0.0 5 11
85 A 85 LEU L S S S+ 0 0 -111.3 -11.0 -180.0 60.5 75.5 61.7 0 0.0 0 0.0 0 0.0 0 0.0 4 10
86 A 86 VAL V S S S+ 0 0 -114.8 55.3 -180.0 98.5 87.7 116.4 0 0.0 0 0.0 0 0.0 0 0.0 6 10
87 A 87 ASP D S S S+ 0 0 -132.8 174.2 180.0 24.7 71.3 142.7 0 0.0 0 0.0 0 0.0 0 0.0 7 14
88 A 88 LEU L S S S+ 0 0 37.7 31.3 -180.0 45.1 131.4 39.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
89 A 89 ALA A S S S+ 0 0 -155.9 -69.4 -180.0 50.8 102.7 80.0 0 0.0 91 -0.9 0 0.0 0 0.0 5 8
90 A 90 LYS K + 0 0 -91.1 104.5 180.0 147.5 52.5 141.6 0 0.0 0 0.0 0 0.0 0 0.0 6 8
91 A 91 THR T 0 0 -112.0 -8.2 180.0 999.9 999.9 63.4 89 -0.9 0 0.0 0 0.0 0 0.0 5 10
92 A 92 GLN Q 0 0 165.4 999.9 999.9 999.9 999.9 88.9 0 0.0 0 0.0 0 0.0 0 0.0 2 7
1kkdA.pdb
1KKD SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSSS SS SS SS S SSS TTTTT HHHH S S S SSSS SSSSSS S S SS SSSSS Kabs/Sand
chirality ++++-+-+-++++---+-+++----+++---+-++++++-+-+++--+++--+++-+----++-+-++++-+-++-++-++++++++++ chirality
bends SSSS SS SS SS S SSS SS SS SSS S S S SSSS SSSSSS S S SS SSSSS bends
turns TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >444X>44<< 4-turns
summary SSSS SS SS SS S SSS tTTTTThHHHHh S S S SSSS SSSSSS S S SS SSSSS summary
sequence RKLELTKAEKHVHNFMMDTQLTKRVKNAAANVLRETWLIYKNTKLVKKIDHAKVRKHQRKFLQAIHQLRSVKMEQRKLNDQANTLVDLAKTQ sequence
10 20 30 40 50 60 70 80 90