Secondary structure calculation program - copyright by David Keith Smith, 1989
1lngA.pdb
1LNG SIGNALING PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 87
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 MET M e 0 0 999.9 146.0 178.2 999.9 999.9 999.9 0 0.0 66 -2.0 0 0.0 0 0.0 6 30
2 A 2 ILE I E E AA - 65 0 -109.8 141.5 174.5 -162.3 999.9 149.5 0 0.0 4 -0.6 0 0.0 0 0.0 7 43
3 A 3 ILE I E E AA - 64 0 -120.2 116.6 174.8 -163.9 6.4 164.5 64 -2.6 64 -2.3 0 0.0 0 0.0 8 58
4 A 4 TRP W g > T - 0 0 -94.9 138.1 179.0 -132.6 23.3 143.7 2 -0.6 7 -1.9 0 0.0 0 0.0 10 57
5 A 5 PRO P G G > > TS+ 0 0 -56.4 -38.6 176.4 68.3 104.9 32.9 0 0.0 8 -1.8 0 0.0 9 -0.7 13 62
6 A 6 SER S G G 4 3 TS+ 0 0 -51.7 -26.2 -178.0 73.5 84.5 39.8 0 0.0 0 0.0 0 0.0 0 0.0 10 50
7 A 7 TYR Y G G 4 < TS+ 0 0 -58.6 -32.2 -174.0 23.2 112.8 34.4 4 -1.9 19 -2.9 0 0.0 20 -1.2 11 53
8 A 8 ILE I T g 4 < TS+ 0 0 -121.5 6.2 174.6 128.4 88.8 74.6 5 -1.8 26 -2.6 0 0.0 10 -0.8 16 53
9 A 9 ASP D B B < a > T - 26 0 -69.9 110.4 175.7 -159.2 44.5 124.8 5 -0.7 12 -1.5 0 0.0 0 0.0 13 45
10 A 10 LYS K T T 3 TS+ 0 0 -57.6 -28.9 177.7 62.8 90.5 42.3 26 -1.5 0 0.0 8 -0.8 0 0.0 11 33
11 A 11 LYS K T T 3 TS+ 0 0 -71.0 -21.5 -176.1 77.4 94.1 38.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30
12 A 12 LYS K S t < TS- 0 0 -93.9 147.7 174.8 -136.3 74.4 125.9 9 -1.5 0 0.0 0 0.0 0 0.0 9 31
13 A 13 SER S t >T - 0 0 -84.3 174.2 176.6 -99.6 35.1 112.3 0 0.0 18 -2.1 0 0.0 0 0.0 8 25
14 A 14 ARG R T T >5TS+ 0 0 -60.3 -49.6 178.4 57.2 122.8 14.5 0 0.0 17 -3.4 0 0.0 0 0.0 7 26
15 A 15 ARG R T T 35TS+ 0 0 -49.4 -37.1 178.5 54.8 104.8 30.1 0 0.0 0 0.0 0 0.0 0 0.0 5 20
16 A 16 GLU E T T 35TS- 0 0 -79.3 5.7 176.1 -82.6 135.7 70.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
17 A 17 GLY G T T <5TS+ 0 0 116.3 -9.2 179.8 145.3 77.1 69.3 14 -3.4 0 0.0 0 0.0 0 0.0 10 36
18 A 18 ARG R t > T - 0 0 -66.8 162.8 -174.0 -101.7 39.1 100.5 0 0.0 24 -1.6 0 0.0 25 -1.5 7 31
22 A 22 GLU E T T 4 3 TS+ 0 0 -56.6 -46.0 -177.6 58.6 115.0 27.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
23 A 23 GLU E T T 4 3 TS+ 0 0 -65.7 -7.3 177.7 37.5 114.0 52.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
24 A 24 LEU L T T 4 < TS+ 0 0 -110.1 -21.9 -175.8 110.0 93.0 52.3 21 -1.6 0 0.0 0 0.0 0 0.0 11 37
25 A 25 ALA A t < T - 0 0 -61.3 148.8 179.1 -136.9 61.3 99.9 21 -1.5 0 0.0 0 0.0 0 0.0 11 42
26 A 26 ILE I B B a - 9 0 -108.5 129.1 179.0 -122.0 17.1 155.6 8 -2.6 10 -1.5 0 0.0 0 0.0 10 41
27 A 27 GLU E S S S- 0 0 -71.8 126.3 -176.7 -14.6 91.1 124.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
28 A 28 LYS K S S S- 0 0 40.7 70.6 -175.5 -148.2 92.7 18.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34
29 A 29 PRO P - 0 0 -71.7 145.3 -177.9 -129.8 1.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 10 47
30 A 30 SER S h > T - 0 0 -101.5 140.0 178.3 -141.7 8.0 138.1 0 0.0 34 -2.9 0 0.0 0 0.0 7 39
31 A 31 LEU L H H > TS+ 0 0 -60.4 -32.2 175.8 61.7 107.0 31.6 0 0.0 35 -3.1 0 0.0 0 0.0 11 44
32 A 32 LYS K H H > TS+ 0 0 -58.5 -45.0 174.0 41.0 108.7 26.8 0 0.0 36 -1.8 0 0.0 0 0.0 6 36
33 A 33 ASP D H H > TS+ 0 0 -68.6 -42.2 -175.5 52.7 114.3 26.2 0 0.0 37 -2.6 0 0.0 0 0.0 9 47
34 A 34 ILE I H H X TS+ 0 0 -62.0 -44.0 177.3 45.6 111.9 17.4 30 -2.9 38 -1.8 0 0.0 0 0.0 12 53
35 A 35 GLU E H H X TS+ 0 0 -61.4 -45.1 -179.7 52.0 111.4 24.4 31 -3.1 39 -1.8 0 0.0 0 0.0 12 44
36 A 36 LYS K H H X TS+ 0 0 -60.4 -45.2 179.0 49.3 110.1 19.4 32 -1.8 40 -2.1 0 0.0 0 0.0 8 36
37 A 37 ALA A H H X TS+ 0 0 -60.1 -41.2 -177.6 51.5 109.5 27.9 33 -2.6 41 -0.9 0 0.0 0 0.0 11 41
38 A 38 LEU L H H < >TS+ 0 0 -68.0 -32.3 -179.4 51.3 108.2 34.7 34 -1.8 43 -2.0 0 0.0 0 0.0 12 47
39 A 39 LYS K H H < >5TS+ 0 0 -72.5 -39.3 176.5 58.2 103.3 26.6 35 -1.8 42 -2.3 0 0.0 0 0.0 10 31
40 A 40 LYS K H H < 35TS+ 0 0 -57.1 -26.9 -179.1 56.1 103.7 37.0 36 -2.1 0 0.0 0 0.0 0 0.0 7 27
41 A 41 LEU L T h < 35TS- 0 0 -88.9 5.2 176.7 -104.5 123.5 70.3 37 -0.9 0 0.0 0 0.0 0 0.0 6 32
42 A 42 GLY G T T <5TS+ 0 0 89.9 3.8 -175.5 126.2 79.5 62.9 39 -2.3 0 0.0 0 0.0 0 0.0 6 22
43 A 43 LEU L t T + 63 0 -129.2 103.1 -175.6 179.2 4.8 152.5 63 -3.0 63 -2.1 0 0.0 51 -0.5 9 28
49 A 49 ARG R T T 3 TS+ 0 0 -77.0 -18.7 -176.9 67.4 73.1 46.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
50 A 50 ASP D T T 3 TS+ 0 0 -73.7 -25.4 -173.1 101.9 79.0 38.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
51 A 51 LYS K t < T - 0 0 -73.0 144.9 177.0 -159.1 52.0 103.0 48 -0.5 62 -2.7 0 0.0 0 0.0 9 25
52 A 52 ARG R - 0 0 -123.9 140.9 -178.5 -124.6 19.0 163.8 0 0.0 0 0.0 0 0.0 0 0.0 12 27
53 A 53 TYR Y g > T - 0 0 -85.9 124.5 -172.0 -135.3 19.9 135.0 59 -0.5 56 -2.4 0 0.0 0 0.0 12 32
54 A 54 PRO P G G > TS+ 0 0 -54.4 -33.4 178.5 63.9 103.9 37.7 0 0.0 57 -1.3 0 0.0 0 0.0 5 24
55 A 55 ARG R G G 3 TS+ 0 0 -63.8 -23.0 173.9 21.9 123.0 40.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
56 A 56 GLN Q G G X TS+ 0 0 -134.5 61.0 -175.0 163.4 78.2 121.5 53 -2.4 59 -1.6 0 0.0 0 0.0 8 27
57 A 57 HIS H T g < TS+ 0 0 -57.7 -23.4 178.6 56.6 73.2 43.6 54 -1.3 0 0.0 0 0.0 0 0.0 8 19
58 A 58 TRP W T T 3 TS+ 0 0 -78.2 -21.3 -174.8 83.3 91.4 42.7 0 0.0 60 -0.8 0 0.0 0 0.0 5 15
59 A 59 GLU E S t < TS- 0 0 -93.3 105.3 -178.1 -148.6 71.7 136.4 56 -1.6 61 -2.5 0 0.0 53 -0.5 7 26
60 A 60 ILE I + 0 0 -71.3 73.0 -172.5 148.0 41.7 112.0 58 -0.8 0 0.0 0 0.0 0 0.0 10 24
61 A 61 CYS C - 0 0 -82.2 -26.8 -174.5 -149.8 38.6 44.0 59 -2.5 0 0.0 0 0.0 0 0.0 10 40
62 A 62 GLY G - 0 0 78.0 -177.7 174.7 -126.5 10.2 101.3 51 -2.7 0 0.0 0 0.0 0 0.0 14 38
63 A 63 CYS C E E A B - 0 48 -157.7 169.3 175.9 -117.8 4.5 166.1 48 -2.1 48 -3.0 0 0.0 0 0.0 14 43
64 A 64 VAL V E E AAB - 3 47 -117.6 127.4 178.6 -161.4 18.9 163.9 3 -2.3 3 -2.6 0 0.0 0 0.0 14 42
65 A 65 GLU E E E AAB + 2 46 -107.0 130.0 176.9 162.4 19.4 158.3 46 -2.4 46 -1.4 0 0.0 0 0.0 11 39
66 A 66 VAL V e - 0 0 -146.1 138.3 177.0 -117.8 41.9 167.1 1 -2.0 68 -0.7 0 0.0 0 0.0 10 36
67 A 67 ASP D + 0 0 -77.5 115.6 179.8 163.1 48.5 130.9 0 0.0 0 0.0 0 0.0 0 0.0 8 24
68 A 68 TYR Y - 0 0 -138.7 140.0 -174.9 -175.4 29.5 177.6 66 -0.7 0 0.0 0 0.0 0 0.0 7 28
69 A 69 LYS K + 0 0 -117.5 7.7 179.9 83.3 61.5 70.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
70 A 70 GLY G S S S- 0 0 -97.8 -168.7 179.8 -50.7 97.2 101.8 0 0.0 0 0.0 0 0.0 0 0.0 5 20
71 A 71 ASN N h > T - 0 0 -67.2 127.4 -176.9 -151.9 46.8 119.1 0 0.0 75 -1.5 0 0.0 0 0.0 6 20
72 A 72 LYS K H H > TS+ 0 0 -68.4 -53.3 179.7 46.8 91.4 18.6 0 0.0 76 -2.2 0 0.0 0 0.0 7 29
73 A 73 LEU L H H > TS+ 0 0 -55.1 -44.4 -179.1 52.7 112.3 24.9 0 0.0 77 -2.2 0 0.0 0 0.0 8 32
74 A 74 GLN Q H H > TS+ 0 0 -64.9 -34.8 174.8 52.0 106.1 33.0 0 0.0 78 -1.8 0 0.0 0 0.0 7 28
75 A 75 LEU L H H X TS+ 0 0 -65.2 -38.4 -177.9 52.3 109.0 23.5 71 -1.5 79 -3.0 0 0.0 0 0.0 9 43
76 A 76 LEU L H H X TS+ 0 0 -65.4 -37.1 179.3 50.7 108.0 26.0 72 -2.2 80 -2.1 0 0.0 0 0.0 11 55
77 A 77 LYS K H H X TS+ 0 0 -66.2 -36.7 -177.2 47.2 112.2 24.4 73 -2.2 81 -1.9 0 0.0 0 0.0 10 38
78 A 78 GLU E H H X TS+ 0 0 -70.3 -44.7 174.6 53.8 108.6 24.3 74 -1.8 82 -2.6 0 0.0 0 0.0 8 38
79 A 79 ILE I H H X TS+ 0 0 -50.6 -49.7 -177.7 49.2 109.9 23.5 75 -3.0 83 -2.7 0 0.0 0 0.0 11 56
80 A 80 CYS C H H X TS+ 0 0 -60.5 -47.0 178.1 49.5 109.8 23.4 76 -2.1 84 -2.9 0 0.0 0 0.0 12 47
81 A 81 LYS K H H < TS+ 0 0 -60.7 -41.2 173.7 49.9 111.9 27.6 77 -1.9 0 0.0 0 0.0 0 0.0 9 36
82 A 82 ILE I H H < > TS+ 0 0 -59.8 -55.6 180.0 47.3 112.1 10.6 78 -2.6 85 -2.0 0 0.0 0 0.0 9 34
83 A 83 ILE I H H < > TS+ 0 0 -53.4 -50.0 177.5 46.3 113.1 23.5 79 -2.7 86 -1.1 0 0.0 0 0.0 10 37
84 A 84 LYS K T h < 3 TS+ 0 0 -69.4 1.4 -172.8 61.7 110.8 60.9 80 -2.9 0 0.0 0 0.0 0 0.0 8 33
85 A 85 GLY G T T < T + 0 0 -116.4 7.3 175.4 126.7 60.5 71.0 82 -2.0 0 0.0 0 0.0 0 0.0 6 22
86 A 86 LYS K t < T 0 0 -65.9 119.8 -176.2 999.9 999.9 124.2 83 -1.1 0 0.0 0 0.0 0 0.0 5 21
87 A 87 ASN N 0 0 -46.0 999.9 999.9 999.9 999.9 20.6 0 0.0 0 0.0 0 0.0 0 0.0 2 10
1lngA.pdb
1LNG SIGNALING PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE GGGTBTTS TTTT S TTT BSS HHHHHHHHHHTT EEETT GGGTTS EEE S HHHHHHHHHHHHTT Kabs/Sand
chirality ---++++-++--++-+++--+++------++++++++++-+-----+++---+++++-+----+-+-+--++++++++++++++ chirality
bends SSSS SSS SSSS S SSS SS SSSSSSSSSSSS SS SSSSSS S SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT TTTT TTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<<>33< >33< >33< >33< >33< >>3X<3< >>3<< 3-turns
bridge-2 BBB bridge-2
bridge-1 AA a a BBB AA bridge-1
sheets AA AAA AAA sheets
4-turns >444< >444< >>>>XXXX<<<< >>>>XXXXXX<<<< 4-turns
summary eEEgGGGgBTTttTTTTt StTTTtBSS hHHHHHHHHHHhTt EEETTt gGGGgTt EEEe ShHHHHHHHHHHHHhTt summary
sequence MIIWPSYIDKKKSRREGRKVPEELAIEKPSLKDIEKALKKLGLEPKIYRDKRYPRQHWEICGCVEVDYKGNKLQLLKEICKIIKGKN sequence
10 20 30 40 50 60 70 80