Secondary structure calculation program - copyright by David Keith Smith, 1989
1jidA.pdb
1JID SIGNALING PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
Sequence length - 114
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 5 ALA A 0 0 999.9 172.7 178.3 999.9 999.9 999.9 0 0.0 3 -1.0 0 0.0 0 0.0 2 10
2 A 6 ALA A + 0 0 -82.2 102.6 -175.8 149.9 999.9 134.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
3 A 7 ARG R + 0 0 -127.7 28.7 178.1 124.2 17.3 87.1 1 -1.0 0 0.0 0 0.0 0 0.0 8 18
4 A 8 SER S S t > TS- 0 0 -83.1 168.5 179.3 -105.7 76.4 115.3 0 0.0 7 -1.7 0 0.0 0 0.0 10 22
5 A 9 PRO P T T 3 TS+ 0 0 -67.1 -10.5 -179.7 60.7 120.9 48.7 0 0.0 0 0.0 0 0.0 0 0.0 14 32
6 A 10 ALA A T T 3 TS+ 0 0 -92.3 -7.9 177.8 95.4 83.2 61.6 0 0.0 0 0.0 0 0.0 0 0.0 11 29
7 A 11 ASP D S g X TS- 0 0 -84.3 135.1 -176.3 -125.6 83.9 138.1 4 -1.7 10 -2.7 0 0.0 0 0.0 10 26
8 A 12 GLN Q G G > TS+ 0 0 -52.3 -31.1 -179.9 63.2 106.4 40.8 0 0.0 11 -1.2 0 0.0 0 0.0 8 29
9 A 13 ASP D G G 3 TS+ 0 0 -70.6 -16.0 177.2 49.6 103.2 47.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
10 A 14 ARG R G G < TS+ 0 0 -101.1 4.2 175.9 119.7 80.9 67.5 7 -2.7 0 0.0 0 0.0 0 0.0 10 31
11 A 15 PHE F S g < TS- 0 0 -64.7 145.0 -179.6 -107.0 72.0 112.7 8 -1.2 0 0.0 0 0.0 0 0.0 12 41
12 A 16 ILE I E E AA - 80 0 -70.7 157.7 -179.2 -124.0 33.1 106.5 80 -2.4 80 -2.3 0 0.0 0 0.0 9 46
13 A 17 CYS C E E AA - 79 0 -111.4 142.1 173.0 -175.0 22.5 153.3 0 0.0 0 0.0 0 0.0 0 0.0 8 53
14 A 18 ILE I E E AA - 78 0 -128.7 121.1 174.3 -168.3 6.7 168.3 78 -2.5 78 -2.6 0 0.0 0 0.0 11 61
15 A 19 TYR Y g > T - 0 0 -102.4 149.9 178.9 -118.4 32.7 144.8 0 0.0 18 -1.6 0 0.0 0 0.0 11 60
16 A 20 PRO P G G > > TS+ 0 0 -52.1 -37.3 -178.5 67.6 110.5 31.7 0 0.0 19 -1.7 0 0.0 20 -0.5 14 69
17 A 21 ALA A G G 4 > TS+ 0 0 -56.3 -33.2 -178.9 67.0 87.8 32.4 0 0.0 20 -1.1 0 0.0 0 0.0 11 54
18 A 22 TYR Y G G 4 < TS+ 0 0 -59.5 -28.0 -175.2 34.6 109.9 39.2 15 -1.6 30 -2.6 0 0.0 31 -1.0 11 55
19 A 23 LEU L G G 4 < TS+ 0 0 -109.1 5.8 -173.2 120.8 87.4 69.0 16 -1.7 37 -2.8 0 0.0 21 -0.5 14 55
20 A 24 ASN N B B < a X T - 37 0 -80.4 117.0 -177.3 -156.7 49.2 125.2 17 -1.1 23 -1.7 16 -0.5 0 0.0 13 49
21 A 25 ASN N T T 3 TS+ 0 0 -72.9 -2.6 176.6 59.6 89.9 56.1 37 -3.2 0 0.0 19 -0.5 0 0.0 13 33
22 A 26 LYS K T T 3 TS+ 0 0 -103.0 9.3 179.2 84.9 91.3 70.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
23 A 27 LYS K S t < TS- 0 0 -109.1 152.5 177.0 -130.6 71.5 143.8 20 -1.7 0 0.0 0 0.0 0 0.0 10 31
24 A 28 THR T t >T - 0 0 -86.0 176.0 175.7 -101.4 33.6 109.1 0 0.0 29 -2.2 0 0.0 0 0.0 8 25
25 A 29 ILE I T T >5TS+ 0 0 -62.9 -43.1 -179.6 55.7 124.9 22.7 0 0.0 28 -1.9 0 0.0 0 0.0 7 25
26 A 30 ALA A T T 35TS+ 0 0 -59.5 -32.9 -178.6 55.5 103.9 30.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
27 A 31 GLU E T T 35TS- 0 0 -78.4 -5.7 179.4 -90.4 132.2 53.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
28 A 32 GLY G T T <5TS+ 0 0 119.7 -8.8 -179.6 151.3 70.6 66.9 25 -1.9 0 0.0 0 0.0 0 0.0 10 34
29 A 33 ARG R t > T - 0 0 -55.1 151.8 178.2 -119.7 36.4 97.0 0 0.0 36 -1.8 0 0.0 35 -0.7 7 30
33 A 37 ILE I T T 4 3 TS+ 0 0 -58.0 -38.8 -177.5 62.8 112.6 25.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
34 A 38 SER S T T 4 3 TS+ 0 0 -57.1 -36.4 -179.0 34.0 113.7 28.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
35 A 39 LYS K T T 4 < TS+ 0 0 -93.6 -14.2 -178.5 98.4 99.4 47.7 32 -0.7 0 0.0 0 0.0 0 0.0 10 34
36 A 40 ALA A t < T - 0 0 -70.6 164.7 -177.5 -135.8 62.3 98.9 32 -1.8 0 0.0 0 0.0 0 0.0 13 41
37 A 41 VAL V B B a - 20 0 -124.1 165.5 -178.7 -97.0 18.8 140.8 19 -2.8 21 -3.2 0 0.0 0 0.0 12 40
38 A 42 GLU E S S S- 0 0 -89.1 136.3 179.2 -20.5 92.3 133.2 0 0.0 0 0.0 0 0.0 0 0.0 7 40
39 A 43 ASN N S S S- 0 0 42.8 46.8 179.6 -169.2 78.1 37.0 0 0.0 0 0.0 0 0.0 0 0.0 8 41
40 A 44 PRO P - 0 0 -61.9 146.1 178.3 -148.1 7.4 109.8 0 0.0 0 0.0 0 0.0 0 0.0 12 51
41 A 45 THR T h > T - 0 0 -115.0 160.4 -178.6 -119.5 22.1 142.5 0 0.0 45 -2.1 0 0.0 0 0.0 10 53
42 A 46 ALA A H H > TS+ 0 0 -62.1 -35.9 179.3 55.8 115.4 29.2 75 -0.5 46 -2.8 0 0.0 0 0.0 14 49
43 A 47 THR T H H > TS+ 0 0 -63.8 -42.0 177.5 47.6 106.9 24.5 0 0.0 47 -2.3 0 0.0 0 0.0 9 47
44 A 48 GLU E H H > TS+ 0 0 -65.0 -40.6 -179.9 51.6 111.8 26.0 0 0.0 48 -2.3 0 0.0 0 0.0 9 52
45 A 49 ILE I H H X TS+ 0 0 -61.7 -46.6 178.7 48.6 110.1 16.9 41 -2.1 49 -2.5 0 0.0 0 0.0 13 60
46 A 50 GLN Q H H X TS+ 0 0 -56.5 -45.1 -178.7 51.4 111.5 23.1 42 -2.8 50 -3.1 0 0.0 0 0.0 12 49
47 A 51 ASP D H H X TS+ 0 0 -62.7 -46.4 -178.2 42.1 112.2 21.5 43 -2.3 51 -2.1 0 0.0 0 0.0 8 42
48 A 52 VAL V H H X TS+ 0 0 -72.8 -31.7 -179.1 47.3 118.0 30.5 44 -2.3 52 -1.1 0 0.0 0 0.0 11 44
49 A 53 CYS C H H < >TS+ 0 0 -73.6 -43.3 178.6 47.8 112.5 22.6 45 -2.5 54 -1.7 0 0.0 0 0.0 13 52
50 A 54 SER S H H < >5TS+ 0 0 -61.2 -37.7 -177.1 59.2 107.5 24.9 46 -3.1 53 -1.7 0 0.0 0 0.0 10 37
51 A 55 ALA A H H < 35TS+ 0 0 -62.8 -31.6 -178.0 55.2 100.1 33.9 47 -2.1 0 0.0 0 0.0 0 0.0 7 31
52 A 56 VAL V T h < 35TS- 0 0 -85.8 6.3 176.8 -96.6 125.2 65.6 48 -1.1 0 0.0 0 0.0 0 0.0 6 33
53 A 57 GLY G T T <5TS+ 0 0 97.1 1.9 177.5 139.7 76.7 59.0 50 -1.7 0 0.0 0 0.0 0 0.0 6 30
54 A 58 LEU L t T - 77 0 -105.2 90.6 -175.5 -168.5 17.0 151.0 77 -2.9 77 -1.3 0 0.0 62 -1.1 9 35
60 A 64 LYS K T T 3 TS+ 0 0 -54.5 -33.2 -176.8 39.7 76.4 39.9 58 -0.9 0 0.0 0 0.0 0 0.0 9 30
61 A 65 ASN N T T 3 TS+ 0 0 -105.3 6.1 176.9 115.3 79.6 66.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
62 A 66 LYS K t < T - 0 0 -71.1 144.5 -178.6 -149.7 53.4 120.0 59 -1.1 76 -3.1 0 0.0 0 0.0 8 32
63 A 67 MET M - 0 0 -119.1 154.8 -178.7 -111.7 14.6 148.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32
64 A 68 TYR Y t > T - 0 0 -86.2 132.1 -177.3 -135.4 21.8 131.3 0 0.0 67 -1.9 0 0.0 0 0.0 9 39
65 A 69 SER S T T 3 TS+ 0 0 -58.3 -30.7 -177.5 56.3 101.7 38.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
66 A 70 ARG R T T 3 TS+ 0 0 -81.7 -5.0 -179.5 84.4 91.2 58.6 0 0.0 68 -0.6 0 0.0 0 0.0 6 27
67 A 71 GLU E t < T - 0 0 -98.1 118.0 -179.0 -171.9 55.9 151.1 64 -1.9 0 0.0 0 0.0 0 0.0 9 31
68 A 72 TRP W + 0 0 -79.7 -25.2 178.4 85.9 64.2 36.9 66 -0.6 70 -0.6 0 0.0 0 0.0 5 18
69 A 73 ASN N - 0 0 -78.9 118.1 -177.9 -167.2 58.4 130.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
70 A 74 ARG R + 0 0 -90.9 10.6 179.5 134.9 37.8 73.4 68 -0.6 0 0.0 0 0.0 0 0.0 8 20
71 A 75 ASP D g > T - 0 0 -60.5 153.6 -177.9 -109.0 69.5 102.1 0 0.0 74 -2.2 0 0.0 0 0.0 6 22
72 A 76 VAL V G G > TS+ 0 0 -52.8 -35.3 -178.8 64.9 115.0 34.8 0 0.0 75 -1.6 0 0.0 0 0.0 6 24
73 A 77 GLN Q G G 3 TS+ 0 0 -63.4 -23.0 179.9 48.8 102.7 39.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
74 A 78 TYR Y G G < TS+ 0 0 -92.3 -1.7 -176.0 99.0 97.1 62.3 71 -2.2 0 0.0 0 0.0 0 0.0 11 40
75 A 79 ARG R g < T + 0 0 -91.8 156.7 175.5 73.4 43.7 120.6 72 -1.6 42 -0.5 0 0.0 0 0.0 13 37
76 A 80 GLY G - 0 0 119.8 141.5 -178.6 -159.0 38.1 94.6 62 -3.1 0 0.0 0 0.0 0 0.0 15 41
77 A 81 ARG R E E A B - 0 59 -146.2 141.8 179.3 -143.5 13.9 169.4 59 -1.3 59 -2.9 0 0.0 0 0.0 16 52
78 A 82 VAL V E E AAB - 14 58 -113.9 135.3 178.6 -151.1 8.8 157.5 14 -2.6 14 -2.5 0 0.0 0 0.0 14 50
79 A 83 ARG R E E AAB - 13 57 -104.6 135.5 -176.1 -166.8 14.9 154.5 57 -2.9 57 -2.1 0 0.0 0 0.0 13 51
80 A 84 VAL V E E AAB - 12 56 -130.0 130.2 176.0 -135.9 19.2 167.4 12 -2.3 12 -2.4 0 0.0 82 -0.6 12 55
81 A 85 GLN Q e + 0 0 -80.8 121.2 179.0 169.2 27.8 136.3 55 -2.4 0 0.0 0 0.0 0 0.0 15 49
82 A 86 LEU L + 0 0 -99.5 -32.5 -174.8 36.2 59.1 40.1 80 -0.6 90 -2.7 0 0.0 0 0.0 15 44
83 A 87 LYS K B B B S- 89 0 -130.4 156.1 -179.8 -120.9 71.8 153.9 0 0.0 0 0.0 0 0.0 0 0.0 11 35
84 A 88 GLN Q t > T - 0 0 -83.1 171.9 -179.0 -91.2 47.6 107.7 88 -3.3 87 -2.7 0 0.0 0 0.0 12 30
85 A 89 GLU E T T 3 TS+ 0 0 -52.8 -39.8 -178.4 52.8 128.8 27.6 0 0.0 0 0.0 0 0.0 0 0.0 9 23
86 A 90 ASP D T T 3 TS- 0 0 -81.4 9.5 178.0 -106.2 121.5 70.6 0 0.0 0 0.0 0 0.0 0 0.0 7 17
87 A 91 GLY G S t < TS+ 0 0 88.3 -11.0 179.3 129.7 77.3 70.9 84 -2.7 0 0.0 0 0.0 0 0.0 8 22
88 A 92 SER S - 0 0 -78.2 156.2 -178.9 -87.5 67.9 116.3 0 0.0 84 -3.3 0 0.0 0 0.0 7 21
89 A 93 LEU L B B B - 83 0 -63.4 140.3 175.0 -146.2 18.5 104.4 0 0.0 0 0.0 0 0.0 0 0.0 10 28
90 A 94 CYS C S S S+ 0 0 -67.9 -41.2 -178.3 13.3 94.3 24.5 82 -2.7 0 0.0 0 0.0 0 0.0 10 35
91 A 95 LEU L t > T - 0 0 -139.3 124.7 -177.5 -143.7 66.3 171.7 0 0.0 94 -2.5 0 0.0 0 0.0 8 31
92 A 96 VAL V T T 3 TS+ 0 0 -58.2 -27.6 179.7 64.8 103.1 36.0 0 0.0 0 0.0 0 0.0 0 0.0 6 22
93 A 97 GLN Q T T 3 TS+ 0 0 -66.1 -20.4 -176.5 50.4 103.1 44.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
94 A 98 PHE F t < T + 0 0 -127.4 77.5 -179.9 148.5 55.1 133.0 91 -2.5 0 0.0 0 0.0 0 0.0 11 39
95 A 99 PRO P S S S+ 0 0 -79.5 -14.3 -173.4 23.4 70.0 49.0 0 0.0 0 0.0 0 0.0 0 0.0 9 28
96 A 100 SER S S h > TS- 0 0 -151.5 166.4 176.5 -107.8 76.7 157.6 0 0.0 100 -1.5 0 0.0 0 0.0 7 33
97 A 101 ARG R H H > TS+ 0 0 -60.8 -41.2 -177.8 55.3 119.5 23.3 0 0.0 101 -2.6 0 0.0 0 0.0 10 42
98 A 102 LYS K H H > TS+ 0 0 -59.1 -42.1 -177.9 54.7 102.9 23.4 0 0.0 102 -2.7 0 0.0 0 0.0 8 40
99 A 103 SER S H H > TS+ 0 0 -60.8 -37.4 179.3 46.8 110.1 28.4 0 0.0 103 -1.8 0 0.0 0 0.0 10 38
100 A 104 VAL V H H X TS+ 0 0 -71.5 -42.2 179.1 51.5 111.2 24.6 96 -1.5 104 -2.8 0 0.0 0 0.0 10 56
101 A 105 MET M H H X TS+ 0 0 -61.5 -44.7 -179.1 46.6 111.1 24.1 97 -2.6 105 -2.3 0 0.0 0 0.0 12 57
102 A 106 LEU L H H X TS+ 0 0 -65.0 -40.6 178.9 51.3 112.9 23.2 98 -2.7 106 -2.2 0 0.0 0 0.0 11 44
103 A 107 TYR Y H H X TS+ 0 0 -60.3 -53.7 -180.0 45.6 110.9 15.9 99 -1.8 107 -2.4 0 0.0 0 0.0 8 47
104 A 108 ALA A H H X TS+ 0 0 -56.8 -42.5 -178.1 52.8 112.2 22.4 100 -2.8 108 -2.6 0 0.0 0 0.0 11 58
105 A 109 ALA A H H < TS+ 0 0 -61.4 -36.9 178.7 49.6 109.7 28.5 101 -2.3 0 0.0 0 0.0 0 0.0 12 50
106 A 110 GLU E H H < TS+ 0 0 -66.2 -41.9 -175.8 39.6 117.1 22.5 102 -2.2 0 0.0 0 0.0 0 0.0 10 42
107 A 111 MET M H H < > TS+ 0 0 -82.1 -32.0 -176.7 73.7 96.9 37.5 103 -2.4 110 -1.4 0 0.0 0 0.0 9 39
108 A 112 ILE I G h < > TS+ 0 0 -55.5 -43.2 179.5 53.1 93.9 28.7 104 -2.6 111 -1.8 0 0.0 0 0.0 13 38
109 A 113 PRO P G G 3 TS+ 0 0 -66.0 -17.7 179.5 58.7 105.8 42.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
110 A 114 LYS K G G < TS+ 0 0 -87.1 -1.2 178.3 123.8 74.8 64.7 107 -1.4 0 0.0 0 0.0 0 0.0 7 26
111 A 115 LEU L g X T - 0 0 -62.0 130.3 -179.6 -133.8 67.7 116.3 108 -1.8 114 -3.4 0 0.0 0 0.0 7 27
112 A 116 LYS K T T 3 TS+ 0 0 -52.0 -36.5 -179.7 65.5 107.9 25.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
113 A 117 THR T T T 3 T 0 0 -65.5 -9.1 176.8 999.9 999.9 54.7 0 0.0 0 0.0 0 0.0 0 0.0 3 16
114 A 118 ARG R t < T 0 0 -111.4 999.9 999.9 999.9 999.9 140.2 111 -3.4 0 0.0 0 0.0 0 0.0 6 20
1jidA.pdb
1JID SIGNALING PROTEIN/RNA MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STTSGGGSEEE GGGGBTTS TTTT S TTT BSS HHHHHHHHHHTT EEEETT TT GGG EEEE B TTS BS TT SSHHHH Kabs/Sand
chirality ++-++-+++-----++++-++--++-+-+--+++------++++++++++-+-+----++---++-+-+-++++-----++--+-+--+-++++-++++ chirality
bends SSSSSSSS SSSS SSS SSSS S SSS SS SSSSSSSSSSSS SS SS SSS S SSS S SS SSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT TTTT TTTT TTTTT TTTT TTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X>3<< >>><33< >33< >33< >33< >33< >>3<< >33< >33< 3-turns
bridge-2 BBBB bridge-2
bridge-1 AAA a a BBBB AAA B B bridge-1
sheets AAA AAAA AAAA sheets
4-turns >444< >444< >>>>XXXX<<<< >>>>X 4-turns
summary tTTgGGGgEEEgGGGGBTTttTTTTt StTTTtBSS hHHHHHHHHHHhTteEEEETTt tTTt gGGGg EEEEe BtTTt BStTTtShHHHH summary
sequence AARSPADQDRFICIYPAYLNNKKTIAEGRRIPISKAVENPTATEIQDVCSAVGLNVFLEKNKMYSREWNRDVQYRGRVRVQLKQEDGSLCLVQFPSRKSV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHGGG TT Kabs/Sand
chirality ++++++++++-+ chirality
bends SSSSSSSSSS S bends
turns TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3