Secondary structure calculation program - copyright by David Keith Smith, 1989
1dc7A.pdb
1DC7 SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 124
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 0 0 999.9 166.1 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
2 A 2 GLN Q + 0 0 62.2 119.9 180.0 144.4 999.9 39.4 0 0.0 0 0.0 0 0.0 0 0.0 7 22
3 A 3 ARG R - 0 0 178.3 55.7 180.0 -14.9 66.8 90.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
4 A 4 GLY G - 0 0 111.8 139.2 180.0 -132.6 60.3 86.6 0 0.0 29 -4.2 0 0.0 0 0.0 11 43
5 A 5 ILE I - 0 0 -125.5 146.7 -180.0 -177.0 16.6 160.5 0 0.0 0 0.0 0 0.0 0 0.0 13 52
6 A 6 VAL V e - 0 0 -147.4 117.9 180.0 -151.7 14.6 158.6 0 0.0 31 -2.6 0 0.0 8 -0.7 14 65
7 A 7 TRP W E E Aab - 31 51 -93.3 115.3 -180.0 -150.1 17.8 145.0 50 -0.9 52 -2.5 0 0.0 0 0.0 14 62
8 A 8 VAL V E E Aab - 32 52 -86.9 140.0 180.0 -174.4 14.1 131.2 31 -1.8 33 -2.8 6 -0.7 0 0.0 15 62
9 A 9 VAL V E E A b + 0 53 -136.0 77.2 180.0 136.2 29.0 131.3 52 -0.9 54 -1.9 0 0.0 0 0.0 14 54
10 A 10 ASP D - 0 0 -125.9 147.4 -180.0 -143.7 51.3 160.2 0 0.0 0 0.0 0 0.0 0 0.0 15 48
11 A 11 ASP D S S S+ 0 0 -94.3 23.7 180.0 78.4 82.0 87.2 0 0.0 0 0.0 0 0.0 0 0.0 7 34
12 A 12 ASP D S S S- 0 0 -124.7 173.8 180.0 -136.5 73.7 136.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
13 A 13 SER S S S S+ 0 0 -127.9 48.8 -180.0 65.5 89.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 7 22
14 A 14 SER S S h > TS+ 0 0 -133.0 -43.6 -180.0 36.2 103.7 56.8 0 0.0 18 -1.8 0 0.0 0 0.0 6 27
15 A 15 ILE I H H > TS+ 0 0 -83.0 -38.1 -180.0 62.0 110.6 32.5 0 0.0 19 -4.6 0 0.0 0 0.0 9 45
16 A 16 ARG R H H > TS+ 0 0 -55.4 -35.9 -180.0 38.6 112.7 32.5 0 0.0 20 -1.7 0 0.0 0 0.0 12 46
17 A 17 TRP W H H > TS+ 0 0 -79.1 -51.8 -180.0 47.1 118.4 20.9 0 0.0 21 -4.3 0 0.0 0 0.0 8 35
18 A 18 VAL V H H X TS+ 0 0 -53.4 -54.6 180.0 43.9 117.1 18.5 14 -1.8 22 -4.6 0 0.0 0 0.0 10 42
19 A 19 LEU L H H X TS+ 0 0 -55.3 -54.6 180.0 44.6 117.8 17.7 15 -4.6 23 -4.5 0 0.0 0 0.0 13 52
20 A 20 GLU E H H X TS+ 0 0 -57.3 -41.0 -180.0 46.1 118.0 28.1 16 -1.7 24 -2.4 0 0.0 0 0.0 14 43
21 A 21 ARG R H H < TS+ 0 0 -66.5 -53.6 180.0 39.2 118.9 16.4 17 -4.3 0 0.0 0 0.0 0 0.0 8 32
22 A 22 ALA A H H X > TS+ 0 0 -61.7 -47.8 -180.0 47.6 119.4 21.3 18 -4.6 26 -3.0 0 0.0 25 -0.9 11 36
23 A 23 LEU L H H < 3>TS+ 0 0 -60.3 -39.8 180.0 41.4 118.2 28.1 19 -4.5 28 -3.7 0 0.0 0 0.0 15 44
24 A 24 ALA A T h < 35TS+ 0 0 -86.1 -1.3 -180.0 49.1 118.9 64.1 20 -2.4 0 0.0 0 0.0 0 0.0 11 33
25 A 25 GLY G T T 4 <5TS+ 0 0 -107.2 -25.5 180.0 50.6 107.3 49.7 22 -0.9 0 0.0 0 0.0 0 0.0 8 31
26 A 26 ALA A T T < 5TS- 0 0 -89.1 -7.5 179.9 -99.5 124.6 59.4 22 -3.0 0 0.0 0 0.0 0 0.0 9 31
27 A 27 GLY G T T 5TS+ 0 0 92.0 35.3 180.0 119.2 85.4 37.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
28 A 28 LEU L t > T - 0 0 -164.0 90.5 180.0 -154.2 69.2 124.8 33 -2.2 39 -1.5 0 0.0 38 -1.2 9 35
36 A 36 GLY G T T 4 3 TS+ 0 0 -35.6 -32.1 -180.0 63.0 99.6 40.8 0 0.0 0 0.0 0 0.0 0 0.0 9 44
37 A 37 ASN N T h > > TS+ 0 0 -60.0 -58.1 -180.0 46.1 101.7 13.1 0 0.0 41 -3.5 0 0.0 40 -1.6 6 35
38 A 38 GLU E H H > < TS+ 0 0 -49.6 -52.4 -180.0 47.7 114.1 22.5 35 -1.2 42 -1.3 0 0.0 0 0.0 10 32
39 A 39 VAL V H H X 3 TS+ 0 0 -65.2 -11.4 -180.0 48.6 116.2 51.9 35 -1.5 43 -0.6 0 0.0 0 0.0 12 47
40 A 40 LEU L H H 4 < TS+ 0 0 -94.3 -41.5 -180.0 40.0 114.7 34.7 37 -1.6 0 0.0 0 0.0 0 0.0 11 39
41 A 41 ALA A H H < TS+ 0 0 -85.4 -2.6 180.0 46.1 122.5 62.9 37 -3.5 0 0.0 0 0.0 0 0.0 8 25
42 A 42 ALA A H H < TS+ 0 0 -106.6 -32.7 -180.0 39.0 117.7 45.7 38 -1.3 0 0.0 0 0.0 0 0.0 9 33
43 A 43 LEU L S h < TS+ 0 0 -99.0 6.0 -180.0 76.0 101.8 72.8 39 -0.6 0 0.0 0 0.0 0 0.0 12 41
44 A 44 ALA A S S S+ 0 0 -90.9 -10.4 180.0 37.2 103.2 57.3 0 0.0 0 0.0 0 0.0 0 0.0 9 28
45 A 45 SER S S S S- 0 0 -112.6 -17.9 -180.0 -19.0 135.6 56.9 0 0.0 0 0.0 0 0.0 0 0.0 6 19
46 A 46 LYS K - 0 0 -165.4 -166.2 -180.0 -114.0 63.4 151.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
47 A 47 THR T - 0 0 -154.4 136.9 180.0 -137.4 16.8 166.6 0 0.0 0 0.0 0 0.0 0 0.0 10 38
48 A 48 PRO P - 0 0 -75.0 -161.5 -180.0 -88.4 43.7 79.6 0 0.0 0 0.0 0 0.0 0 0.0 9 47
49 A 49 ASP D S S S- 0 0 -86.8 -14.6 180.0 -26.4 101.6 52.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
50 A 50 VAL V e - 0 0 177.0 169.7 -180.0 -124.6 60.6 160.9 0 0.0 7 -0.9 0 0.0 0 0.0 14 62
51 A 51 LEU L E E Ab - 7 0 -132.8 158.1 180.0 -167.8 7.3 156.6 0 0.0 79 -1.1 0 0.0 0 0.0 14 73
52 A 52 LEU L E E Ab + 8 0 -144.5 61.5 180.0 166.5 25.7 115.0 7 -2.5 9 -0.9 0 0.0 0 0.0 12 82
53 A 53 SER S E E Ab - 9 0 -75.1 164.0 180.0 -154.0 17.7 106.4 0 0.0 81 -1.8 0 0.0 0 0.0 11 76
54 A 54 ASP D e - 0 0 -115.2 -148.7 -180.0 -80.3 29.3 97.5 9 -1.9 0 0.0 0 0.0 0 0.0 12 66
55 A 55 ILE I S S S+ 0 0 -86.8 -108.7 -179.9 111.9 75.9 42.9 0 0.0 57 -4.0 0 0.0 0 0.0 12 53
56 A 56 ARG R + 0 0 67.5 -60.0 180.0 100.4 62.4 105.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
57 A 57 MET M S S S- 0 0 -45.6 173.6 -180.0 -111.4 82.8 79.7 55 -4.0 0 0.0 62 -0.5 0 0.0 9 38
58 A 58 PRO P S t > TS+ 0 0 -75.0 -89.2 -180.0 119.5 72.4 18.7 0 0.0 62 -0.7 0 0.0 0 0.0 10 28
59 A 59 GLY G T T 4 > TS- 0 0 20.3 55.2 179.9 -72.0 110.5 41.9 0 0.0 61 -3.6 0 0.0 62 -1.2 8 28
60 A 60 MET M T T 4 3 TS+ 0 0 68.2 -63.3 180.0 15.6 136.5 108.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
61 A 61 ASP D T T 4 3 TS- 0 0 -111.0 -20.7 -180.0 -85.2 128.7 55.0 59 -3.6 0 0.0 0 0.0 0 0.0 10 33
62 A 62 GLY G S t < < TS+ 0 0 113.2 53.7 -180.0 114.1 94.3 41.4 59 -1.2 57 -0.5 58 -0.7 0 0.0 12 42
63 A 63 LEU L + 0 0 -131.6 10.3 -180.0 81.8 57.0 79.9 0 0.0 0 0.0 0 0.0 0 0.0 14 50
64 A 64 ALA A S t > TS+ 0 0 -81.7 -50.1 180.0 66.1 77.3 23.0 0 0.0 67 -2.9 0 0.0 0 0.0 9 37
65 A 65 LEU L T h > > TS+ 0 0 -42.9 -24.2 180.0 96.3 75.4 42.1 0 0.0 68 -2.3 0 0.0 69 -0.9 11 43
66 A 66 LEU L H H > 3 T + 0 0 -35.3 -40.8 -180.0 76.7 64.9 35.3 0 0.0 70 -2.2 0 0.0 0 0.0 8 59
67 A 67 LYS K H H > < TS+ 0 0 -36.9 -57.3 180.0 47.0 94.3 27.8 64 -2.9 71 -4.3 0 0.0 0 0.0 7 37
68 A 68 GLN Q H H > < TS+ 0 0 -53.2 -46.9 180.0 54.3 110.4 24.7 65 -2.3 72 -1.9 0 0.0 0 0.0 8 43
69 A 69 ILE I H H X > TS+ 0 0 -50.8 -67.0 -180.0 33.0 117.7 13.6 65 -0.9 73 -5.0 0 0.0 72 -1.1 10 55
70 A 70 LYS K H H < 3 TS+ 0 0 -57.5 -41.4 180.0 56.3 118.0 27.2 66 -2.2 0 0.0 0 0.0 0 0.0 10 41
71 A 71 GLN Q H H < 3 TS+ 0 0 -62.2 -23.7 180.0 34.1 118.8 41.9 67 -4.3 0 0.0 0 0.0 0 0.0 8 32
72 A 72 ARG R H H < < TS+ 0 0 -96.4 -47.1 -180.0 14.0 140.5 32.4 68 -1.9 0 0.0 69 -1.1 0 0.0 11 33
73 A 73 HIS H h < > T + 0 0 -131.9 68.9 180.0 175.0 69.0 125.5 69 -5.0 75 -2.7 0 0.0 76 -0.8 9 41
74 A 74 PRO P T T 3 TS+ 0 0 -75.0 65.5 -180.0 34.2 81.4 113.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
75 A 75 MET M T T 3 TS+ 0 0 178.6 -33.0 180.0 122.1 79.5 81.4 73 -2.7 0 0.0 0 0.0 0 0.0 5 36
76 A 76 LEU L S t < TS- 0 0 -53.3 133.0 180.0 -120.7 70.2 104.7 73 -0.8 78 -2.7 0 0.0 0 0.0 9 49
77 A 77 PRO P + 0 0 -75.0 56.2 -180.0 175.0 48.9 107.3 0 0.0 0 0.0 0 0.0 0 0.0 11 50
78 A 78 VAL V + 0 0 -64.0 148.7 -180.0 177.4 18.3 107.3 76 -2.7 0 0.0 0 0.0 0 0.0 9 62
79 A 79 ILE I - 0 0 -117.5 -53.7 180.0 -170.5 15.7 45.6 51 -1.1 0 0.0 0 0.0 0 0.0 11 66
80 A 80 ILE I - 0 0 72.6 160.2 180.0 -88.6 27.1 77.9 0 0.0 102 -0.6 0 0.0 0 0.0 11 76
81 A 81 MET M B B a - 102 0 -107.1 152.0 180.0 -177.1 40.3 140.4 53 -1.8 0 0.0 0 0.0 0 0.0 13 59
82 A 82 THR T - 0 0 -144.1 160.4 180.0 -131.3 33.9 162.8 102 -1.8 0 0.0 0 0.0 0 0.0 14 47
83 A 83 ALA A - 0 0 -104.9 40.1 -180.0 -101.5 59.3 102.9 0 0.0 85 -3.0 0 0.0 0 0.0 9 34
84 A 84 HIS H S t > TS+ 0 0 74.3 -57.5 -180.0 59.4 127.2 107.8 0 0.0 87 -1.2 0 0.0 0 0.0 8 26
85 A 85 SER S T T 3 TS+ 0 0 -80.8 4.6 180.0 58.6 100.6 68.3 83 -3.0 0 0.0 0 0.0 0 0.0 6 29
86 A 86 ASP D T T 3 TS+ 0 0 -118.5 19.9 -180.0 68.6 91.6 86.5 0 0.0 0 0.0 0 0.0 0 0.0 12 38
87 A 87 LEU L S t > X TS+ 0 0 -108.1 -25.8 -180.0 72.1 80.3 50.7 84 -1.2 91 -4.3 0 0.0 90 -1.1 12 40
88 A 88 ASP D T T 4 3 TS+ 0 0 -65.0 -12.4 180.0 46.2 103.8 51.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
89 A 89 ALA A T T 4 3 TS+ 0 0 -104.2 -11.7 -180.0 39.6 119.0 59.4 0 0.0 0 0.0 0 0.0 0 0.0 9 40
90 A 90 ALA A T T 4 < TS+ 0 0 -106.8 -27.0 -180.0 40.9 122.0 49.4 87 -1.1 0 0.0 0 0.0 0 0.0 11 46
91 A 91 VAL V S t < TS+ 0 0 -90.2 -31.4 -180.0 34.2 126.9 40.1 87 -4.3 0 0.0 0 0.0 0 0.0 11 36
92 A 92 SER S S S S+ 0 0 -124.3 66.4 180.0 62.2 109.6 124.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
93 A 93 ALA A S S S+ 0 0 177.7 55.6 180.0 93.1 76.9 90.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
94 A 94 TYR Y t > T - 0 0 -159.4 142.0 -180.0 -140.7 58.0 165.5 0 0.0 97 -0.6 0 0.0 0 0.0 7 34
95 A 95 GLN Q T T 3 TS+ 0 0 -64.1 -79.3 -180.0 25.9 102.6 5.4 0 0.0 97 -1.7 0 0.0 0 0.0 4 25
96 A 96 GLN Q T T 3 TS- 0 0 -87.6 66.9 -180.0 -157.2 90.2 120.0 0 0.0 0 0.0 0 0.0 0 0.0 4 24
97 A 97 GLY G t < T + 0 0 -48.1 125.2 -180.0 131.7 42.2 101.3 95 -1.7 0 0.0 94 -0.6 0 0.0 7 26
98 A 98 ALA A + 0 0 -170.1 35.7 180.0 107.2 38.5 87.6 0 0.0 0 0.0 0 0.0 0 0.0 5 35
99 A 99 PHE F - 0 0 -109.9 -170.8 -180.0 -155.2 50.5 112.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
100 A 100 ASP D - 0 0 -156.4 24.5 180.0 -160.2 16.6 86.4 0 0.0 0 0.0 0 0.0 0 0.0 7 45
101 A 101 TYR Y - 0 0 -17.2 90.5 180.0 -116.4 34.1 75.2 0 0.0 0 0.0 0 0.0 0 0.0 12 54
102 A 102 LEU L B B a - 81 0 -40.7 136.8 -180.0 -113.2 20.9 93.1 80 -0.6 104 -2.8 0 0.0 82 -1.8 11 42
103 A 103 PRO P - 0 0 -75.1 59.0 180.0 -120.9 59.3 109.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
104 A 104 LYS K S S S+ 0 0 -43.5 146.2 0.0 63.1 96.9 92.2 102 -2.8 0 0.0 0 0.0 0 0.0 8 44
105 A 105 PRO P S S S+ 0 0 -75.0 146.8 180.0 136.3 87.0 61.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
106 A 106 PHE F - 0 0 -141.1 -174.1 -180.0 -64.3 63.8 139.4 0 0.0 108 -1.1 0 0.0 0 0.0 8 31
107 A 107 ASP D h > > T - 0 0 -83.4 100.2 180.0 -156.8 38.1 134.5 0 0.0 110 -1.8 0 0.0 111 -1.6 6 33
108 A 108 ILE I H H > > TS+ 0 0 -40.3 -47.7 180.0 57.6 96.6 29.4 106 -1.1 112 -3.3 0 0.0 111 -0.7 9 47
109 A 109 ASP D H H > 3 TS+ 0 0 -51.8 -41.8 180.0 52.0 104.0 28.1 0 0.0 113 -3.7 0 0.0 0 0.0 9 38
110 A 110 GLU E H H > < TS+ 0 0 -64.7 -31.6 180.0 45.8 112.3 35.3 107 -1.8 114 -0.9 0 0.0 0 0.0 8 35
111 A 111 ALA A H H X < TS+ 0 0 -78.4 -37.1 180.0 46.1 115.3 32.0 107 -1.6 115 -1.9 108 -0.7 0 0.0 10 52
112 A 112 VAL V H H X TS+ 0 0 -70.3 -45.5 180.0 51.7 110.8 23.4 108 -3.3 116 -2.3 0 0.0 0 0.0 13 54
113 A 113 ALA A H H < TS+ 0 0 -59.9 -31.4 -180.0 56.4 107.8 35.1 109 -3.7 0 0.0 0 0.0 0 0.0 9 42
114 A 114 LEU L H H X > TS+ 0 0 -63.9 -57.8 -180.0 48.5 104.7 12.5 110 -0.9 117 -2.8 0 0.0 118 -1.4 8 45
115 A 115 VAL V H H X > TS+ 0 0 -47.5 -50.5 179.9 59.1 105.2 24.0 111 -1.9 119 -5.0 0 0.0 118 -1.1 11 52
116 A 116 GLU E H H < 3 TS+ 0 0 -53.1 -18.9 -180.0 39.8 113.8 45.7 112 -2.3 0 0.0 0 0.0 0 0.0 10 40
117 A 117 ARG R H H > < TS+ 0 0 -104.3 -16.9 180.0 45.9 118.8 55.2 114 -2.8 121 -1.4 0 0.0 0 0.0 8 34
118 A 118 ALA A H H X < TS+ 0 0 -93.5 -34.5 -180.0 56.2 107.1 39.2 114 -1.4 122 -1.0 115 -1.1 0 0.0 9 38
119 A 119 ILE I H H < TS+ 0 0 -70.1 -17.9 -180.0 38.9 117.3 47.0 115 -5.0 0 0.0 0 0.0 0 0.0 12 39
120 A 120 SER S H H 4 > TS+ 0 0 -96.2 -47.7 180.0 52.7 111.5 32.1 0 0.0 123 -2.1 0 0.0 0 0.0 8 25
121 A 121 HIS H H H < 3 TS+ 0 0 -62.8 -14.8 -180.0 84.6 90.2 49.0 117 -1.4 0 0.0 0 0.0 0 0.0 7 23
122 A 122 TYR Y T h < 3 T + 0 0 -57.8 -28.2 180.0 80.7 69.4 38.7 118 -1.0 124 -2.4 0 0.0 0 0.0 7 27
123 A 123 GLN Q t < T 0 0 -79.6 63.0 -180.0 999.9 999.9 113.9 120 -2.1 0 0.0 0 0.0 0 0.0 5 15
124 A 124 GLU E 0 0 -139.1 999.9 999.9 999.9 999.9 116.2 122 -2.4 0 0.0 0 0.0 0 0.0 3 11
1dc7A.pdb
1DC7 SIGNALING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE SSSSHHHHHHHHHTTTT EE TTHHHHHSSS S EEE S SSTTTS STHHHHHHH TTS B STTSTTTSSS TT Kabs/Sand
chirality +------+-+-+++++++++++++-+----+++-+++++++++-------+--++-+-+-++++++++++++++-++-----++++++++++-+-++-- chirality
bends SSSSSSSSSSSSSSSSS SSSSSSSSSS S S SSSSSS SS SSSSSS SSS SSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTT TTTTTTTTT TTTTT TTTTTTTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >3><3< >33< >>3<<>33<>33< >33X33< >33< 3-turns
bridge-2 bbb bridge-2
bridge-1 aa aa bbb a bridge-1
sheets AAA AA AAA sheets
4-turns >>>>XXX4>>X4<<< >444< >>>>X<<<< >444< 4-turns
summary eEEE SSShHHHHHHHHHhTTTt EEe tThHHHHHhSS SeEEEeS StTTTt thHHHHHHHhTTt B tTTtTTTtSStTTt summary
sequence MQRGIVWVVDDDSSIRWVLERALAGAGLTCTTFENGNEVLAALASKTPDVLLSDIRMPGMDGLALLKQIKQRHPMLPVIIMTAHSDLDAAVSAYQQGAFD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand B SS HHHHHHHHHHHHHHT Kabs/Sand
chirality ---++--+++++++++++++++ chirality
bends SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 a bridge-1
sheets sheets
4-turns >>>>XXX<4<< 4-turns
summary B SS hHHHHHHHHHHHHHHht summary
sequence YLPKPFDIDEAVALVERAISHYQE sequence
110 120