Secondary structure calculation program - copyright by David Keith Smith, 1989
1ijyA.pdb
1IJY SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 122
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 GLU E 0 0 999.9 -68.5 -179.9 999.9 999.9 999.9 0 0.0 3 -0.6 0 0.0 0 0.0 3 20
2 A 6 LEU L - 0 0 -114.7 103.7 179.6 -162.8 999.9 153.5 0 0.0 4 -0.7 0 0.0 0 0.0 8 28
3 A 7 ALA A - 0 0 -86.8 113.9 -178.6 -135.0 20.7 138.9 1 -0.6 0 0.0 0 0.0 0 0.0 7 27
4 A 8 CYS C - 0 0 -73.9 136.4 179.0 -178.9 25.2 117.7 2 -0.7 0 0.0 0 0.0 0 0.0 10 30
5 A 9 GLN Q E E AA - 20 0 -135.6 137.8 -179.6 -100.8 35.1 175.5 20 -2.6 20 -2.9 0 0.0 0 0.0 8 31
6 A 10 GLU E E E AA - 19 0 -57.8 136.7 -179.9 -104.4 46.3 107.8 0 0.0 0 0.0 0 0.0 0 0.0 7 35
7 A 11 ILE I e + 0 0 -67.7 128.8 -179.6 167.4 44.5 116.8 18 -2.9 0 0.0 0 0.0 0 0.0 11 41
8 A 12 THR T + 0 0 -114.9 -20.6 179.5 113.9 38.0 55.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
9 A 13 VAL V g > T - 0 0 -56.9 115.7 -179.3 -141.9 64.1 113.0 0 0.0 12 -1.3 0 0.0 0 0.0 11 43
10 A 14 PRO P G G > TS+ 0 0 -49.5 -44.7 -179.7 54.5 97.1 31.0 0 0.0 13 -1.1 0 0.0 0 0.0 6 37
11 A 15 LEU L G G 3 TS+ 0 0 -62.7 -26.0 -176.9 45.3 112.6 37.6 0 0.0 0 0.0 0 0.0 0 0.0 10 44
12 A 16 CYS C G G X TS+ 0 0 -104.6 10.3 179.4 119.8 80.5 72.1 9 -1.3 15 -1.0 0 0.0 0 0.0 12 47
13 A 17 LYS K T g < TS+ 0 0 -78.0 137.1 179.6 8.0 82.9 123.9 10 -1.1 0 0.0 0 0.0 0 0.0 9 35
14 A 18 GLY G T T 3 TS+ 0 0 67.2 27.3 -179.3 136.7 82.6 40.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
15 A 19 ILE I S t < TS- 0 0 -82.8 -6.2 -179.9 -74.9 87.5 58.1 12 -1.0 0 0.0 0 0.0 0 0.0 9 37
16 A 20 GLY G S S S+ 0 0 136.2 -23.3 178.5 50.9 114.8 81.8 0 0.0 0 0.0 0 0.0 0 0.0 4 37
17 A 21 TYR Y - 0 0 -141.3 149.8 -176.7 -152.3 61.5 167.6 0 0.0 0 0.0 0 0.0 0 0.0 6 40
18 A 22 GLU E e + 0 0 -104.3 -10.5 -179.1 64.9 67.3 53.9 0 0.0 7 -2.9 0 0.0 0 0.0 10 30
19 A 23 TYR Y E E AA + 6 0 -121.2 148.3 178.9 171.3 48.5 154.2 0 0.0 65 -1.9 0 0.0 0 0.0 11 42
20 A 24 THR T E E AAA - 5 64 -133.0 -176.0 178.6 -134.7 18.9 132.9 5 -2.9 5 -2.6 0 0.0 0 0.0 12 54
21 A 25 TYR Y - 0 0 -144.3 158.5 178.7 -99.9 22.9 166.2 63 -0.6 0 0.0 0 0.0 0 0.0 13 45
22 A 26 MET M S S S+ 0 0 -136.3 149.5 -0.2 39.9 88.6 166.9 0 0.0 0 0.0 0 0.0 0 0.0 11 40
23 A 27 PRO P S S S- 0 0 -75.6 154.9 178.9 -159.5 80.2 57.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
24 A 28 ASN N t > T - 0 0 -87.1 -173.3 -178.5 -79.1 41.2 100.2 28 -1.2 27 -2.1 0 0.0 0 0.0 12 43
25 A 29 GLN Q T T 3 TS+ 0 0 -63.1 -18.0 179.9 56.0 131.7 46.5 60 -0.6 0 0.0 0 0.0 0 0.0 7 38
26 A 30 PHE F T T 3 TS- 0 0 -96.3 8.5 179.3 -112.2 117.6 72.1 0 0.0 0 0.0 0 0.0 0 0.0 6 34
27 A 31 ASN N t < T + 0 0 69.3 21.3 177.6 158.1 61.1 44.7 24 -2.1 0 0.0 0 0.0 0 0.0 7 25
28 A 32 HIS H - 0 0 -75.5 130.9 -179.1 -159.4 29.1 130.0 0 0.0 24 -1.2 0 0.0 0 0.0 11 27
29 A 33 ASP D + 0 0 -88.4 -17.7 179.0 30.5 68.4 47.7 0 0.0 0 0.0 0 0.0 0 0.0 9 28
30 A 34 THR T S h > TS- 0 0 -138.6 158.7 179.2 -118.6 76.0 162.5 0 0.0 34 -1.9 0 0.0 0 0.0 8 34
31 A 35 GLN Q H H > TS+ 0 0 -63.3 -35.0 178.9 58.9 114.3 30.5 0 0.0 35 -3.3 0 0.0 0 0.0 12 41
32 A 36 ASP D H H > TS+ 0 0 -61.0 -41.2 179.2 47.6 106.4 23.3 0 0.0 36 -2.0 0 0.0 0 0.0 7 32
33 A 37 GLU E H H > TS+ 0 0 -64.9 -41.9 179.0 46.0 114.5 24.6 0 0.0 37 -0.8 0 0.0 0 0.0 9 31
34 A 38 ALA A H H X > TS+ 0 0 -66.0 -40.6 -179.7 55.3 110.4 26.0 30 -1.9 38 -2.7 0 0.0 37 -0.8 13 41
35 A 39 GLY G H H X 3 TS+ 0 0 -61.4 -37.8 -179.8 61.8 97.5 30.8 31 -3.3 39 -2.5 0 0.0 0 0.0 12 39
36 A 40 LEU L H H < 3 TS+ 0 0 -60.0 -29.1 179.2 36.5 114.0 35.7 32 -2.0 0 0.0 0 0.0 0 0.0 8 28
37 A 41 GLU E H H < X TS+ 0 0 -89.3 -50.0 -177.9 45.1 118.5 23.2 34 -0.8 40 -1.4 33 -0.8 0 0.0 8 35
38 A 42 VAL V H H < > TS+ 0 0 -67.5 -27.9 179.2 66.7 101.7 36.1 34 -2.7 41 -2.0 0 0.0 0 0.0 12 43
39 A 43 HIS H G h < > TS+ 0 0 -66.4 -14.5 178.2 75.1 83.7 46.5 35 -2.5 42 -1.6 0 0.0 0 0.0 8 34
40 A 44 GLN Q G T < TS+ 0 0 -67.5 -17.8 179.3 54.5 93.7 44.7 37 -1.4 0 0.0 0 0.0 0 0.0 7 29
41 A 45 PHE F G h > < TS+ 0 0 -94.3 1.6 -178.8 102.7 76.9 67.5 38 -2.0 45 -2.1 0 0.0 0 0.0 8 46
42 A 46 TRP W H H > < TS+ 0 0 -52.7 -49.1 179.8 50.0 79.7 24.1 39 -1.6 46 -2.4 0 0.0 0 0.0 9 34
43 A 47 PRO P H H > TS+ 0 0 -57.0 -47.1 180.0 50.1 110.1 20.0 0 0.0 47 -2.3 0 0.0 0 0.0 7 28
44 A 48 LEU L H H > >TS+ 0 0 -59.2 -37.4 178.2 52.1 109.5 29.9 0 0.0 48 -1.1 0 0.0 49 -0.8 9 40
45 A 49 VAL V H H < >5TS+ 0 0 -64.4 -43.8 179.6 47.6 110.6 21.9 41 -2.1 48 -0.5 0 0.0 0 0.0 11 36
46 A 50 GLU E H H < 35TS+ 0 0 -65.3 -33.7 -179.3 58.2 106.1 33.2 42 -2.4 0 0.0 0 0.0 0 0.0 6 26
47 A 51 ILE I H H < 35TS- 0 0 -68.1 -25.7 178.2 -144.2 98.2 40.4 43 -2.3 0 0.0 0 0.0 0 0.0 6 25
48 A 52 GLN Q T h < <5T + 0 0 63.8 45.0 177.0 154.6 43.8 26.8 44 -1.1 0 0.0 45 -0.5 0 0.0 8 28
49 A 53 CYS C S t T - 0 0 -153.7 126.8 179.9 -147.3 65.8 157.2 0 0.0 53 -1.4 0 0.0 0 0.0 12 35
51 A 55 PRO P T T 3 TS+ 0 0 -64.7 -20.1 -178.3 52.2 103.0 42.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
52 A 56 ASP D T h > 3 TS+ 0 0 -97.5 3.3 -178.3 95.3 80.0 65.7 0 0.0 56 -2.4 0 0.0 0 0.0 11 43
53 A 57 LEU L H H > < TS+ 0 0 -61.4 -48.0 -178.8 46.9 84.3 22.3 50 -1.4 57 -2.9 0 0.0 0 0.0 12 55
54 A 58 LYS K H H > TS+ 0 0 -61.3 -47.9 179.8 44.9 115.6 20.6 0 0.0 58 -2.7 0 0.0 0 0.0 11 54
55 A 59 PHE F H H > TS+ 0 0 -62.6 -43.4 179.2 51.2 113.7 22.7 0 0.0 59 -2.6 0 0.0 0 0.0 9 57
56 A 60 PHE F H H X TS+ 0 0 -57.4 -53.5 -179.1 44.3 113.1 15.6 52 -2.4 60 -0.7 0 0.0 0 0.0 12 63
57 A 61 LEU L H H X > TS+ 0 0 -57.7 -50.5 -179.0 46.4 115.8 19.6 53 -2.9 61 -2.9 0 0.0 60 -1.2 9 72
58 A 62 CYS C H H X 3 TS+ 0 0 -63.4 -35.8 179.8 61.4 103.6 30.3 54 -2.7 62 -2.5 0 0.0 0 0.0 13 68
59 A 63 SER S H H < 3 TS+ 0 0 -64.7 -16.2 178.3 36.3 115.7 44.6 55 -2.6 0 0.0 0 0.0 0 0.0 11 67
60 A 64 MET M H H < < TS+ 0 0 -99.2 -48.7 -178.6 35.8 124.9 32.8 57 -1.2 25 -0.6 56 -0.7 0 0.0 11 66
61 A 65 TYR Y H H < TS+ 0 0 -77.5 -36.3 176.5 23.5 134.8 32.6 57 -2.9 0 0.0 0 0.0 0 0.0 12 57
62 A 66 THR T S h < TS- 0 0 -126.6 69.8 -179.2 -161.0 92.2 128.8 58 -2.5 0 0.0 0 0.0 0 0.0 14 58
63 A 67 PRO P - 0 0 -55.0 144.5 -178.8 -93.2 27.9 98.7 0 0.0 21 -0.6 0 0.0 0 0.0 13 62
64 A 68 ILE I B B A - 20 0 -62.7 137.0 178.9 -159.6 37.4 107.2 0 0.0 0 0.0 0 0.0 0 0.0 13 52
65 A 69 CYS C - 0 0 -122.0 126.1 -179.1 -172.5 7.9 170.9 19 -1.9 0 0.0 0 0.0 0 0.0 14 42
66 A 70 LEU L - 0 0 -122.8 131.2 179.9 -146.0 25.2 167.4 69 -0.7 0 0.0 0 0.0 0 0.0 8 30
67 A 71 GLU E S S S+ 0 0 -64.0 -23.3 -179.3 43.1 105.1 41.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
68 A 72 ASP D S S S+ 0 0 -90.4 -39.8 -179.3 51.6 111.9 33.5 0 0.0 70 -0.9 0 0.0 0 0.0 4 17
69 A 73 TYR Y - 0 0 -104.6 94.8 -179.3 -171.8 65.0 145.4 0 0.0 71 -1.5 0 0.0 66 -0.7 6 25
70 A 74 LYS K + 0 0 -81.0 48.7 -179.9 85.5 58.4 102.7 68 -0.9 0 0.0 0 0.0 0 0.0 9 24
71 A 75 LYS K S S S- 0 0 -147.0 148.8 179.7 -90.5 88.5 173.4 69 -1.5 0 0.0 0 0.0 0 0.0 5 32
72 A 76 PRO P - 0 0 -61.5 139.6 179.4 -162.6 31.3 110.6 0 0.0 0 0.0 0 0.0 0 0.0 7 40
73 A 77 LEU L - 0 0 -124.9 85.6 -179.4 -170.1 16.3 144.7 0 0.0 0 0.0 0 0.0 0 0.0 9 49
74 A 78 PRO P - 0 0 -73.6 165.6 178.9 -90.4 32.7 100.9 0 0.0 118 -2.5 0 0.0 0 0.0 13 56
75 A 79 PRO P B B b - 118 0 -72.4 148.9 177.8 -106.6 50.8 120.5 0 0.0 0 0.0 0 0.0 0 0.0 14 53
76 A 80 CYS C h > > T - 0 0 -73.3 156.8 179.7 -109.0 27.7 115.2 118 -2.9 79 -1.3 0 0.0 80 -1.2 13 43
77 A 81 ARG R H H > 3 TS+ 0 0 -52.5 -37.0 -179.3 64.8 116.9 32.1 108 -2.6 81 -2.8 0 0.0 0 0.0 14 38
78 A 82 SER S H H > 3 TS+ 0 0 -57.8 -35.2 179.4 54.5 97.5 33.0 0 0.0 82 -2.0 0 0.0 0 0.0 10 39
79 A 83 VAL V H H > < TS+ 0 0 -63.8 -46.8 179.5 44.4 111.5 20.3 76 -1.3 83 -2.2 0 0.0 0 0.0 13 44
80 A 84 CYS C H H X TS+ 0 0 -64.2 -43.4 -179.4 55.2 109.8 24.5 76 -1.2 84 -3.1 0 0.0 0 0.0 14 47
81 A 85 GLU E H H X TS+ 0 0 -60.0 -38.7 178.7 46.9 110.0 27.3 77 -2.8 85 -2.4 0 0.0 0 0.0 9 43
82 A 86 ARG R H H X TS+ 0 0 -68.0 -45.4 179.7 47.5 113.5 20.7 78 -2.0 86 -2.0 0 0.0 0 0.0 10 39
83 A 87 ALA A H H X TS+ 0 0 -60.9 -43.3 -179.4 46.6 115.0 24.0 79 -2.2 87 -2.3 0 0.0 0 0.0 15 50
84 A 88 LYS K H H X TS+ 0 0 -66.2 -45.8 180.0 51.4 110.3 22.2 80 -3.1 88 -2.7 0 0.0 0 0.0 10 45
85 A 89 ALA A H H < TS+ 0 0 -60.3 -35.9 -179.0 43.4 116.0 29.1 81 -2.4 0 0.0 0 0.0 0 0.0 9 33
86 A 90 GLY G H H < TS+ 0 0 -79.9 -33.7 -176.6 20.9 129.1 30.6 82 -2.0 0 0.0 0 0.0 0 0.0 9 37
87 A 91 CYS C H H X TS+ 0 0 -110.5 -24.3 -179.4 78.2 100.9 44.2 83 -2.3 91 -2.3 0 0.0 0 0.0 11 40
88 A 92 ALA A H H X TS+ 0 0 -56.2 -40.6 -180.0 53.9 94.3 28.2 84 -2.7 92 -2.9 0 0.0 0 0.0 11 38
89 A 93 PRO P H H > TS+ 0 0 -60.6 -46.9 179.7 44.4 110.7 19.9 0 0.0 93 -2.2 0 0.0 0 0.0 8 24
90 A 94 LEU L H H > TS+ 0 0 -62.2 -42.2 179.1 51.8 114.1 25.0 0 0.0 94 -1.3 0 0.0 0 0.0 8 27
91 A 95 MET M H H < >>TS+ 0 0 -59.7 -46.8 -179.9 48.3 109.8 21.0 87 -2.3 96 -3.5 0 0.0 94 -0.5 11 30
92 A 96 ARG R H H < >5TS+ 0 0 -62.5 -36.9 -179.8 60.8 104.2 30.5 88 -2.9 95 -1.6 0 0.0 0 0.0 10 19
93 A 97 GLN Q H H < 35TS+ 0 0 -59.8 -34.7 179.5 41.2 110.2 32.4 89 -2.2 0 0.0 0 0.0 0 0.0 7 16
94 A 98 TYR Y T h < <5TS- 0 0 -97.7 12.1 178.0 -95.0 129.3 75.6 90 -1.3 0 0.0 91 -0.5 0 0.0 6 16
95 A 99 GLY G T T <5TS+ 0 0 87.7 17.6 179.7 131.9 81.0 48.6 92 -1.6 97 -0.5 0 0.0 0 0.0 6 13
96 A 100 PHE F t T - 0 0 -48.9 132.5 179.3 -132.5 16.0 97.9 0 0.0 102 -1.9 0 0.0 0 0.0 6 34
100 A 104 ASP D G G > TS+ 0 0 -55.0 -36.4 -179.8 59.3 108.4 32.2 0 0.0 103 -1.7 0 0.0 0 0.0 5 21
101 A 105 ARG R G G 3 TS+ 0 0 -67.3 -17.3 179.8 51.6 105.0 44.3 0 0.0 0 0.0 0 0.0 0 0.0 4 34
102 A 106 MET M G G < TS+ 0 0 -100.5 8.1 179.2 138.0 75.3 74.2 99 -1.9 0 0.0 0 0.0 0 0.0 8 45
103 A 107 ARG R g X T - 0 0 -58.4 126.2 -176.8 -142.2 51.2 111.7 100 -1.7 106 -1.4 0 0.0 0 0.0 10 33
104 A 108 CYS C G G > TS+ 0 0 -64.5 -28.9 179.9 70.0 92.6 39.8 0 0.0 107 -1.9 0 0.0 0 0.0 9 37
105 A 109 ASP D G G 3 TS+ 0 0 -66.1 -11.6 178.9 69.0 87.9 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
106 A 110 ARG R G G < TS+ 0 0 -79.6 -13.1 -177.8 80.6 89.3 51.7 103 -1.4 0 0.0 0 0.0 0 0.0 7 29
107 A 111 LEU L S g < TS- 0 0 -98.5 148.7 179.6 -109.0 86.1 132.4 104 -1.9 0 0.0 0 0.0 0 0.0 10 40
108 A 112 PRO P - 0 0 -72.2 151.5 178.6 -116.7 34.8 112.3 0 0.0 77 -2.6 0 0.0 0 0.0 12 31
109 A 113 GLU E - 0 0 -84.0 157.0 177.3 -103.9 30.3 120.1 0 0.0 0 0.0 0 0.0 0 0.0 9 28
110 A 114 GLN Q S S S+ 0 0 -70.0 168.1 177.3 53.9 96.2 103.3 0 0.0 0 0.0 0 0.0 0 0.0 11 27
111 A 115 GLY G S S S+ 0 0 82.3 15.9 179.3 117.9 71.1 50.8 0 0.0 0 0.0 0 0.0 0 0.0 5 20
112 A 116 ASN N t > T - 0 0 -119.3 104.8 -179.7 -161.6 46.7 155.5 0 0.0 115 -1.8 0 0.0 0 0.0 7 18
113 A 117 PRO P T T 3 TS+ 0 0 -52.2 -30.9 -178.2 51.7 92.6 37.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
114 A 118 ASP D T T 3 TS+ 0 0 -86.8 -9.8 178.0 38.1 115.8 54.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17
115 A 119 THR T S t < TS- 0 0 -140.7 82.6 -178.1 -167.4 82.2 133.3 112 -1.8 0 0.0 0 0.0 0 0.0 6 22
116 A 120 LEU L + 0 0 -74.0 151.7 178.8 169.3 11.0 109.9 0 0.0 0 0.0 0 0.0 0 0.0 11 29
117 A 121 CYS C - 0 0 -153.6 163.8 178.7 -100.0 38.1 163.9 0 0.0 119 -0.6 0 0.0 0 0.0 11 39
118 A 122 MET M B B b + 75 0 -93.6 121.8 -179.7 179.7 29.6 145.8 74 -2.5 76 -2.9 0 0.0 0 0.0 9 47
119 A 123 ASP D + 0 0 -110.7 30.3 179.8 164.2 17.9 89.4 117 -0.6 0 0.0 0 0.0 0 0.0 10 42
120 A 124 TYR Y - 0 0 -49.6 132.1 179.2 -160.9 20.6 98.2 0 0.0 122 -0.5 0 0.0 0 0.0 5 37
121 A 125 GLU E 0 0 -123.9 108.8 -179.1 999.9 999.9 160.5 0 0.0 0 0.0 0 0.0 0 0.0 5 30
122 A 126 ARG R 0 0 -81.8 999.9 999.9 999.9 999.9 19.0 120 -0.5 0 0.0 0 0.0 0 0.0 4 29
1ijyA.pdb
1IJY SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE GGGTTSS EE SS TT SHHHHHHHHGGGHHHHHHTS TTHHHHHHHHHS B SS S B HHHHHHHHHHHHHHHHHTT G Kabs/Sand
chirality -----++-+++++-+-++--+--+-+-+-++++++++++++++++-++-+++++++++++-----++-+------+++++++++++++++++-+----+ chirality
bends SSSSSSS SS SS SSSSSSSSSSSSSSSSSS S SSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSSSS S bends
turns TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TT turns
5-turns >5555< >5555< 5-turns
3-turns >>3X<3< >33< >33X>><<< >33< >33< >33< >33< >>3<< >> 3-turns
bridge-2 A bridge-2
bridge-1 AA AA A b bridge-1
sheets AA AA sheets
4-turns >>>>XX<<<< >>>><<<< >>>>XXX<<<< >>>>XXXXX<><<<< 4-turns
summary EEe gGGGgTtS eEE SStTTt hHHHHHHHHhThHHHHHHhttThHHHHHHHHHh B SS S BhHHHHHHHHHHHHHHHHHhTt gG summary
sequence ELACQEITVPLCKGIGYEYTYMPNQFNHDTQDEAGLEVHQFWPLVEIQCSPDLKFFLCSMYTPICLEDYKKPLPPCRSVCERAKAGCAPLMRQYGFAWPD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GG GGGS SS TTS B Kabs/Sand
chirality ++-+++---++-++-+-++- chirality
bends SS SSSS SS SSS bends
turns TTTTTTT TTTT turns
5-turns 5-turns
3-turns 33<< >33< 3-turns
bridge-2 bridge-2
bridge-1 b bridge-1
sheets sheets
4-turns 4-turns
summary GGgGGGg SStTTt B summary
sequence RMRCDRLPEQGNPDTLCMDYER sequence
110 120