Secondary structure calculation program - copyright by David Keith Smith, 1989
1ejeA.pdb
1EJE STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
Sequence length - 192
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 GLY G 0 0 999.9 177.5 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 9
2 A 2 SER S h > T - 0 0 -73.4 151.7 179.7 -112.3 999.9 117.1 0 0.0 6 -2.5 0 0.0 0 0.0 5 8
3 A 3 GLN Q H H > TS+ 0 0 -51.3 -39.3 179.5 53.3 120.3 30.0 0 0.0 7 -2.0 0 0.0 0 0.0 6 10
4 A 4 ALA A H H > TS+ 0 0 -62.0 -45.4 -179.8 48.1 109.1 22.1 0 0.0 8 -0.7 0 0.0 0 0.0 6 11
5 A 5 ALA A H H > > TS+ 0 0 -62.5 -38.0 -179.6 55.5 109.2 29.5 0 0.0 8 -0.6 0 0.0 9 -0.6 8 11
6 A 6 HIS H H H < > TS+ 0 0 -64.4 -42.1 -179.0 47.3 106.5 27.1 2 -2.5 9 -0.6 0 0.0 0 0.0 8 11
7 A 7 MET M H H < 3 TS+ 0 0 -80.1 -5.2 179.0 48.2 113.6 56.4 3 -2.0 0 0.0 0 0.0 0 0.0 8 11
8 A 8 MET M H H X X TS+ 0 0 -107.7 -4.1 -179.1 108.0 76.5 63.9 4 -0.7 11 -2.3 5 -0.6 12 -0.5 8 13
9 A 9 SER S T h < < TS+ 0 0 -48.1 -15.3 -179.6 32.9 91.9 51.9 6 -0.6 0 0.0 5 -0.6 0 0.0 7 13
10 A 10 MET M T T 4 3 TS+ 0 0 -122.1 -2.0 -178.4 84.9 96.9 66.5 0 0.0 0 0.0 0 0.0 0 0.0 6 12
11 A 11 ASP D T T 4 < TS+ 0 0 -81.4 -1.5 -179.0 87.0 76.2 61.3 8 -2.3 0 0.0 0 0.0 0 0.0 6 12
12 A 12 PHE F t < T - 0 0 -105.8 147.0 179.9 -162.6 56.8 140.0 8 -0.5 0 0.0 0 0.0 0 0.0 6 13
13 A 13 GLU E - 0 0 -125.2 146.3 177.7 -110.1 27.4 160.3 0 0.0 0 0.0 0 0.0 0 0.0 5 12
14 A 14 ASP D - 0 0 -67.8 149.5 179.3 -160.8 37.2 115.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
15 A 15 PHE F - 0 0 -137.1 137.2 -179.8 -93.4 28.1 178.5 0 0.0 0 0.0 0 0.0 0 0.0 5 13
16 A 16 PRO P g > T - 0 0 -50.5 128.9 179.8 -145.1 25.2 102.3 0 0.0 19 -1.4 0 0.0 0 0.0 6 12
17 A 17 VAL V G G > TS+ 0 0 -68.5 -25.2 179.3 63.2 99.0 40.3 0 0.0 20 -1.3 0 0.0 0 0.0 5 12
18 A 18 GLU E G G 3 TS+ 0 0 -80.2 4.9 178.1 54.0 100.4 65.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
19 A 19 SER S G G X TS+ 0 0 -119.6 17.0 -179.5 115.7 73.9 85.2 16 -1.4 22 -1.5 0 0.0 0 0.0 8 18
20 A 20 ALA A G G > X T + 0 0 -55.8 -40.6 -179.3 61.2 66.9 32.7 17 -1.3 23 -1.9 0 0.0 24 -1.4 8 20
21 A 21 HIS H G G 4 3 TS+ 0 0 -63.1 -18.7 -179.7 62.9 96.3 43.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
22 A 22 ARG R G G 4 < TS+ 0 0 -81.6 -11.2 179.1 48.2 102.8 52.6 19 -1.5 0 0.0 0 0.0 0 0.0 8 26
23 A 23 ILE I T g 4 < TS+ 0 0 -95.7 -30.7 179.4 68.5 99.0 42.2 20 -1.9 25 -1.7 0 0.0 0 0.0 6 24
24 A 24 LEU L S t < TS+ 0 0 -89.1 68.6 -178.8 179.3 95.9 121.1 20 -1.4 0 0.0 0 0.0 0 0.0 7 25
25 A 25 THR T + 0 0 -145.5 167.2 -0.1 31.9 28.9 158.4 23 -1.7 0 0.0 0 0.0 0 0.0 9 27
26 A 26 PRO P - 0 0 -76.2 160.2 -178.7 -172.8 69.9 55.9 0 0.0 0 0.0 0 0.0 0 0.0 10 33
27 A 27 ARG R E E AA - 176 0 -127.5 146.4 179.7 -94.6 31.6 161.2 176 -2.5 176 -3.7 0 0.0 0 0.0 11 41
28 A 28 PRO P E E AA - 175 0 -55.0 129.3 179.1 -145.3 38.2 107.0 0 0.0 30 -0.6 0 0.0 0 0.0 11 54
29 A 29 THR T e + 0 0 -103.1 120.0 -179.6 177.9 24.1 153.8 174 -2.4 84 -0.9 0 0.0 0 0.0 15 63
30 A 30 VAL V E E BBC - 46 83 -122.8 154.2 177.0 -132.7 28.9 151.1 46 -3.1 46 -3.5 28 -0.6 32 -0.6 11 69
31 A 31 MET M E E BBC - 45 82 -103.9 121.5 179.9 -155.3 24.0 157.5 82 -2.4 82 -2.0 0 0.0 33 -0.5 13 72
32 A 32 VAL V E E BBC - 44 81 -101.2 127.6 178.1 -158.8 6.1 151.6 44 -3.5 44 -1.6 30 -0.6 0 0.0 13 82
33 A 33 THR T E E BBC + 43 80 -106.8 145.7 179.6 157.1 19.8 146.6 80 -2.3 80 -2.1 31 -0.5 0 0.0 16 78
34 A 34 THR T E E BB - 42 0 -151.0 173.1 177.8 -136.6 26.6 154.1 42 -2.0 42 -3.0 0 0.0 0 0.0 16 60
35 A 35 VAL V E E BB - 41 0 -137.5 153.5 178.0 -131.5 13.6 164.3 0 0.0 0 0.0 0 0.0 0 0.0 15 50
36 A 36 ASP D e > T - 0 0 -90.4 -173.2 -178.9 -86.1 46.6 105.1 40 -1.4 39 -1.1 0 0.0 0 0.0 12 38
37 A 37 GLU E T T 3 TS+ 0 0 -69.8 -19.5 179.6 57.4 129.3 42.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
38 A 38 GLU E T T 3 TS- 0 0 -84.2 -11.5 179.4 -107.3 121.2 54.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
39 A 39 GLY G t < T + 0 0 98.2 5.6 179.5 156.0 64.7 59.4 36 -1.1 0 0.0 0 0.0 0 0.0 6 33
40 A 40 ASN N e - 0 0 -69.3 131.8 -179.2 -128.4 40.0 119.2 0 0.0 36 -1.4 0 0.0 0 0.0 10 38
41 A 41 ILE I E E BB - 35 0 -84.4 135.9 178.8 -173.6 25.6 129.3 0 0.0 0 0.0 0 0.0 0 0.0 13 54
42 A 42 ASN N E E BB - 34 0 -128.0 145.0 179.5 -174.8 1.6 164.5 34 -3.0 34 -2.0 0 0.0 0 0.0 16 62
43 A 43 ALA A E E BB + 33 0 -143.2 136.9 -179.5 160.5 9.5 175.4 0 0.0 0 0.0 0 0.0 0 0.0 13 67
44 A 44 ALA A E E BB - 32 0 -154.9 149.5 -179.7 -112.4 34.7 172.6 32 -1.6 32 -3.5 0 0.0 0 0.0 12 69
45 A 45 PRO P E E BB - 31 0 -86.6 143.3 178.8 -175.3 29.0 127.5 0 0.0 0 0.0 0 0.0 0 0.0 12 67
46 A 46 PHE F E E BB + 30 0 -138.9 138.3 179.1 178.7 21.1 178.4 30 -3.5 30 -3.1 0 0.0 0 0.0 12 62
47 A 47 SER S + 0 0 -115.3 -13.7 168.0 86.7 67.6 62.7 0 0.0 49 -1.2 0 0.0 0 0.0 11 56
48 A 48 PHE F S e S+ 0 0 -82.8 87.4 -177.5 124.0 70.1 146.7 0 0.0 62 -2.5 0 0.0 0 0.0 10 50
49 A 49 THR T E E BD + 61 0 -146.8 157.5 -179.8 157.6 29.5 170.8 47 -1.2 0 0.0 0 0.0 0 0.0 12 53
50 A 50 MET M E E BD - 60 0 -174.0 146.5 172.9 -103.9 39.8 160.6 60 -2.6 60 -2.4 0 0.0 0 0.0 7 41
51 A 51 PRO P E E BD + 59 0 -68.6 157.5 -178.3 179.7 31.4 117.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
52 A 52 VAL V E E B* + 0 0 -125.5 -55.0 178.9 21.5 62.3 54.8 58 -2.8 0 0.0 0 0.0 0 0.0 8 26
53 A 53 SER S E E BD >T - 58 0 -121.4 141.9 -179.8 -161.3 52.9 161.7 58 -2.0 58 -2.2 0 0.0 0 0.0 8 22
54 A 54 ILE I T T 5TS+ 0 0 -85.8 -46.3 179.1 42.6 81.4 25.6 0 0.0 0 0.0 0 0.0 0 0.0 7 20
55 A 55 ASP D T T 5TS+ 0 0 -148.1 108.7 0.3 31.9 120.3 149.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
56 A 56 PRO P T T 5TS- 0 0 -61.9 146.1 179.8 -123.8 112.4 64.1 0 0.0 58 -0.5 0 0.0 0 0.0 6 22
57 A 57 PRO P T e 5T + 0 0 -70.0 113.3 178.0 167.7 41.5 123.1 0 0.0 151 -2.4 0 0.0 0 0.0 10 30
58 A 58 VAL V E E BDE T - 0 0 -57.8 135.4 -176.0 -126.2 37.6 120.3 0 0.0 67 -1.2 0 0.0 0 0.0 9 34
65 A 65 PRO P T T 3 TS+ 0 0 -59.8 -22.6 -178.3 57.2 106.5 42.7 0 0.0 0 0.0 0 0.0 0 0.0 10 29
66 A 66 ASP D T T 3 TS+ 0 0 -83.2 -15.1 179.9 110.9 81.2 51.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
67 A 67 HIS H S h > < TS- 0 0 -59.0 154.9 178.4 -121.7 78.3 99.0 64 -1.2 71 -2.4 0 0.0 0 0.0 8 45
68 A 68 HIS H H H > TS+ 0 0 -64.1 -34.7 -179.3 57.7 116.1 31.2 0 0.0 72 -2.7 0 0.0 0 0.0 8 50
69 A 69 THR T H H > TS+ 0 0 -62.6 -44.6 -180.0 45.2 107.3 22.8 0 0.0 73 -1.8 0 0.0 0 0.0 13 66
70 A 70 ALA A H H > TS+ 0 0 -62.9 -54.4 -179.1 44.2 116.8 13.6 0 0.0 74 -2.1 0 0.0 0 0.0 12 55
71 A 71 ARG R H H X TS+ 0 0 -61.1 -35.9 179.6 53.4 111.5 33.8 67 -2.4 75 -1.4 0 0.0 0 0.0 10 43
72 A 72 ASN N H H X TS+ 0 0 -67.8 -39.8 -179.7 48.1 109.5 25.7 68 -2.7 76 -3.1 0 0.0 0 0.0 13 50
73 A 73 ILE I H H X TS+ 0 0 -66.4 -40.1 178.8 56.4 107.4 25.4 69 -1.8 77 -2.2 0 0.0 0 0.0 13 56
74 A 74 GLU E H H < TS+ 0 0 -59.1 -34.3 -178.7 33.1 118.8 31.6 70 -2.1 0 0.0 0 0.0 0 0.0 8 43
75 A 75 SER S H H < TS+ 0 0 -95.9 -31.0 -179.7 25.5 132.9 38.4 71 -1.4 0 0.0 0 0.0 0 0.0 8 34
76 A 76 THR T H H < TS- 0 0 -111.8 -6.6 175.5 -141.8 88.5 61.5 72 -3.1 0 0.0 0 0.0 0 0.0 9 38
77 A 77 HIS H h < T + 0 0 55.3 30.4 179.1 94.4 63.5 42.8 73 -2.2 135 -2.6 0 0.0 0 0.0 9 46
78 A 78 GLU E E E B F + 0 134 -147.0 160.9 178.6 162.9 38.8 166.5 0 0.0 0 0.0 0 0.0 0 0.0 13 57
79 A 79 PHE F E E B F - 0 133 -171.3 156.8 179.1 -133.3 25.9 163.2 133 -2.0 133 -3.1 0 0.0 0 0.0 16 71
80 A 80 VAL V E E BCF - 33 132 -123.4 129.1 177.7 -145.5 13.8 171.0 33 -2.1 33 -2.3 0 0.0 82 -0.5 14 73
81 A 81 ILE I E E BCF - 32 131 -92.8 126.9 -178.2 -164.4 19.0 148.0 131 -2.4 131 -2.5 0 0.0 0 0.0 12 77
82 A 82 ASN N E E BCF - 31 130 -118.3 119.7 179.8 -129.9 15.6 163.3 31 -2.0 31 -2.4 80 -0.5 0 0.0 15 72
83 A 83 ILE I E E BC - 30 0 -65.9 143.5 -179.3 -132.9 20.3 110.3 129 -2.1 0 0.0 0 0.0 0 0.0 12 71
84 A 84 THR T e - 0 0 -105.6 109.9 179.1 -159.6 15.2 149.8 29 -0.9 174 -3.0 0 0.0 0 0.0 14 65
85 A 85 PRO P B B A > T - 173 0 -81.6 148.4 -178.1 -116.4 30.0 126.0 0 0.0 88 -1.9 0 0.0 0 0.0 12 52
86 A 86 ALA A G T > TS+ 0 0 -57.9 -26.3 -179.0 76.2 106.8 39.3 172 -2.3 89 -1.9 171 -0.8 0 0.0 10 43
87 A 87 ASP D G T 3 TS+ 0 0 -63.2 -11.4 177.4 32.7 106.6 51.2 0 0.0 0 0.0 0 0.0 0 0.0 4 37
88 A 88 ILE I G h > < TS+ 0 0 -129.8 26.3 -178.7 121.4 79.9 87.6 85 -1.9 92 -2.3 0 0.0 0 0.0 9 45
89 A 89 ILE I H H > < TS+ 0 0 -58.5 -39.7 179.7 50.6 77.0 28.8 86 -1.9 93 -1.8 0 0.0 0 0.0 10 48
90 A 90 GLU E H H > TS+ 0 0 -67.9 -30.8 -179.8 49.9 111.3 33.1 0 0.0 94 -1.0 0 0.0 0 0.0 6 39
91 A 91 ARG R H H > TS+ 0 0 -75.7 -39.0 179.7 49.1 108.5 29.3 0 0.0 95 -1.2 0 0.0 0 0.0 10 42
92 A 92 MET M H H < TS+ 0 0 -67.5 -35.3 179.7 59.7 106.6 26.4 88 -2.3 0 0.0 0 0.0 0 0.0 13 55
93 A 93 TRP W H H < > TS+ 0 0 -58.4 -37.2 -179.8 54.5 100.8 29.5 89 -1.8 96 -1.4 0 0.0 0 0.0 9 47
94 A 94 VAL V H H < > TS+ 0 0 -66.6 -33.9 -179.9 68.5 93.6 31.6 90 -1.0 97 -2.4 0 0.0 0 0.0 10 36
95 A 95 THR T T h < 3 TS+ 0 0 -63.0 -3.8 -179.9 66.5 90.7 55.6 91 -1.2 0 0.0 0 0.0 0 0.0 13 49
96 A 96 ALA A T T < TS+ 0 0 -92.1 -13.1 179.5 109.5 75.1 52.1 93 -1.4 0 0.0 0 0.0 0 0.0 8 44
97 A 97 ARG R S t < TS- 0 0 -58.7 156.5 -178.5 -99.5 88.6 100.8 94 -2.4 99 -2.1 0 0.0 0 0.0 6 33
98 A 98 ASP D + 0 0 -82.6 70.1 179.5 179.5 53.2 116.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
99 A 99 ILE I - 0 0 -72.1 139.4 -180.0 -92.0 37.3 117.5 97 -2.1 0 0.0 0 0.0 0 0.0 7 30
100 A 100 PRO P t > T - 0 0 -49.9 146.5 179.2 -91.1 51.2 94.9 0 0.0 103 -1.8 0 0.0 0 0.0 5 28
101 A 101 ALA A T T 3 TS+ 0 0 -58.2 148.2 179.5 27.5 114.1 104.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
102 A 102 GLY G T T 3 TS+ 0 0 84.0 -18.8 179.5 114.3 96.6 78.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
103 A 103 GLU E t < T - 0 0 -89.5 139.8 -179.2 -125.4 69.4 133.4 100 -1.8 105 -0.8 0 0.0 0 0.0 9 35
104 A 104 ASN N h > > T - 0 0 -87.5 108.3 -179.6 -166.5 16.4 137.8 0 0.0 107 -1.1 0 0.0 108 -0.9 11 45
105 A 105 GLU E H H > 3 TS+ 0 0 -68.6 -14.6 178.4 73.7 83.7 48.2 103 -0.8 109 -1.4 0 0.0 0 0.0 12 45
106 A 106 LEU L H H > 3>TS+ 0 0 -64.4 -35.1 179.4 53.3 94.8 27.7 0 0.0 111 -2.9 0 0.0 110 -0.7 12 52
107 A 107 GLU E H H 4 X5TS+ 0 0 -63.0 -51.1 -179.9 46.3 108.8 17.7 104 -1.1 110 -1.3 0 0.0 0 0.0 8 37
108 A 108 ALA A H H < 35TS+ 0 0 -64.3 -21.8 -179.6 53.7 111.9 43.2 104 -0.9 0 0.0 0 0.0 0 0.0 9 31
109 A 109 ALA A H H < 35TS- 0 0 -88.5 -11.0 -179.3 -121.3 111.3 54.4 105 -1.4 0 0.0 0 0.0 0 0.0 10 37
110 A 110 GLY G T h < <5T + 0 0 74.0 29.3 179.0 138.1 67.6 33.9 107 -1.3 0 0.0 106 -0.7 0 0.0 7 31
111 A 111 LEU L t T - 113 0 -80.6 122.9 -178.5 -145.3 17.3 131.2 0 0.0 127 -1.4 0 0.0 0 0.0 11 56
125 A 125 VAL V T e 3 TS+ 0 0 -52.1 -46.1 -179.3 52.8 97.9 29.5 112 -2.2 0 0.0 123 -0.5 0 0.0 9 47
126 A 126 GLU E T T 3 TS+ 0 0 -68.0 -16.0 180.0 97.3 90.3 48.7 112 -0.6 0 0.0 0 0.0 0 0.0 8 51
127 A 127 ALA A t < T - 0 0 -80.1 128.6 -179.7 -155.0 63.5 129.3 124 -1.4 0 0.0 0 0.0 0 0.0 12 59
128 A 128 PRO P S e S+ 0 0 -75.9 -13.8 -179.6 35.0 79.2 54.1 0 0.0 157 -3.0 0 0.0 0 0.0 14 51
129 A 129 GLY G E E B H - 0 156 -146.1 139.7 -179.8 -172.2 64.5 176.4 0 0.0 83 -2.1 0 0.0 0 0.0 11 56
130 A 130 HIS H E E BFH - 82 155 -136.6 140.2 178.7 -161.7 10.9 175.1 155 -2.8 155 -2.0 0 0.0 132 -0.6 14 63
131 A 131 LEU L E E BFH - 81 154 -120.9 102.7 179.3 -155.1 13.1 158.0 81 -2.5 81 -2.4 0 0.0 133 -0.6 12 63
132 A 132 GLU E E E BFH - 80 153 -79.3 117.1 -176.9 -171.4 24.9 133.4 153 -2.8 152 -2.1 130 -0.6 153 -1.4 16 55
133 A 133 CYS C E E BFH - 79 151 -120.6 152.4 177.2 -151.1 25.8 147.2 79 -3.1 79 -2.0 131 -0.6 0 0.0 14 59
134 A 134 GLU E E E BFH - 78 150 -115.1 127.9 -179.6 -99.8 42.2 164.7 150 -2.5 150 -2.7 0 0.0 0 0.0 12 46
135 A 135 LEU L E E B H + 0 149 -46.4 140.9 176.7 170.9 42.1 94.8 77 -2.6 0 0.0 0 0.0 0 0.0 13 49
136 A 136 LEU L E E B * - 0 0 -114.2 -68.9 -179.9 -19.6 63.9 50.6 148 -2.1 0 0.0 0 0.0 0 0.0 8 37
137 A 137 ARG R E E B H - 0 148 -147.8 146.0 179.8 -151.6 42.7 176.9 148 -0.7 148 -2.2 0 0.0 0 0.0 8 36
138 A 138 MET M E E B H - 0 147 -116.1 64.7 -180.0 -175.1 24.7 122.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
139 A 139 PHE F E E B H - 0 146 -63.2 125.8 178.9 -132.0 22.0 113.1 146 -1.0 146 -3.9 0 0.0 0 0.0 7 27
140 A 140 GLU E E E B H + 0 145 -81.8 128.3 -178.6 178.3 28.7 132.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
141 A 141 VAL V E E B H> T - 0 144 -136.3 98.2 -179.6 -61.5 52.6 145.7 144 -3.2 144 -1.5 0 0.0 0 0.0 7 20
142 A 142 GLY G T T 3 TS- 0 0 68.2 -126.5 -179.9 -12.0 119.5 121.4 0 0.0 0 0.0 0 0.0 0 0.0 5 19
143 A 143 ASP D T T 3 TS+ 0 0 -93.8 14.8 178.5 58.6 131.7 76.3 0 0.0 0 0.0 0 0.0 0 0.0 7 22
144 A 144 HIS H E E B H< TS- 0 141 -136.4 167.4 177.8 -125.0 75.3 153.2 141 -1.5 141 -3.2 0 0.0 146 -0.5 10 31
145 A 145 ASN N E E BEH - 63 140 -113.5 121.2 179.1 -138.9 22.9 166.3 63 -2.6 63 -1.8 0 0.0 147 -0.9 14 36
146 A 146 LEU L E E BEH - 62 139 -83.4 111.6 -178.8 -166.8 25.8 137.6 139 -3.9 139 -1.0 144 -0.5 148 -0.6 13 40
147 A 147 ILE I E E BEH - 61 138 -106.4 121.8 178.2 -177.0 8.7 153.8 61 -2.5 61 -2.1 145 -0.9 0 0.0 13 56
148 A 148 THR T E E BEH - 60 137 -112.6 153.4 180.0 -174.7 5.9 147.0 137 -2.2 136 -2.1 146 -0.6 137 -0.7 12 48
149 A 149 GLY G E E BEH - 59 135 -151.6 149.0 179.1 -118.1 27.8 178.7 59 -2.6 59 -2.3 0 0.0 0 0.0 12 52
150 A 150 SER S E E BEH - 58 134 -84.1 131.7 179.1 -131.3 30.5 134.4 134 -2.7 134 -2.5 0 0.0 152 -0.9 12 38
151 A 151 VAL V E E B H + 0 133 -86.6 108.6 -179.7 171.4 32.1 141.0 57 -2.4 0 0.0 0 0.0 0 0.0 12 46
152 A 152 VAL V E E B * + 0 0 -91.1 -16.3 179.8 13.9 67.7 51.8 132 -2.1 0 0.0 150 -0.9 0 0.0 10 37
153 A 153 SER S E E B H - 0 132 -160.0 146.4 179.3 -168.5 59.5 169.2 132 -1.4 132 -2.8 0 0.0 0 0.0 9 35
154 A 154 ALA A E E B H + 0 131 -137.6 144.2 -180.0 177.8 9.3 173.1 0 0.0 0 0.0 0 0.0 0 0.0 9 47
155 A 155 SER S E E B H - 0 130 -146.5 149.6 179.9 -164.1 6.9 172.9 130 -2.0 130 -2.8 0 0.0 0 0.0 7 40
156 A 156 VAL V E E B H - 0 129 -134.8 157.8 179.6 -107.6 26.2 159.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
157 A 157 ARG R e > T - 0 0 -80.8 149.8 179.9 -85.1 53.6 121.5 128 -3.0 160 -2.4 0 0.0 0 0.0 8 35
158 A 158 SER S T T 3 TS+ 0 0 -57.9 124.5 179.7 15.6 118.0 111.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
159 A 159 GLY G T T 3 TS+ 0 0 91.1 2.0 -179.0 108.6 93.2 63.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24
160 A 160 ALA A e < T + 0 0 -87.7 -7.4 -180.0 72.1 66.4 55.8 157 -2.4 167 -3.3 0 0.0 0 0.0 13 34
161 A 161 VAL V E E DI - 166 0 -115.4 127.0 179.6 -177.3 55.3 159.3 0 0.0 163 -0.5 0 0.0 0 0.0 10 27
162 A 162 LYS K E E DI > TS- 165 0 -124.7 104.8 -179.4 -23.4 78.4 157.7 165 -3.0 165 -1.2 0 0.0 0 0.0 8 21
163 A 163 GLU E T T 3 TS- 0 0 64.3 36.4 179.1 -50.7 126.5 33.2 161 -0.5 0 0.0 0 0.0 0 0.0 4 16
164 A 164 GLY G T T 3 TS+ 0 0 86.8 -7.6 -179.4 99.2 122.3 70.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
165 A 165 LEU L E E DI < TS- 162 0 -110.1 162.3 178.9 -85.5 89.6 134.3 162 -1.2 162 -3.0 0 0.0 0 0.0 6 29
166 A 166 LEU L E E DI - 161 0 -66.8 119.3 -179.7 -125.6 43.2 122.2 0 0.0 168 -3.0 0 0.0 0 0.0 8 38
167 A 167 ASP D h > > T + 0 0 -67.7 72.9 -179.4 174.5 38.7 112.0 160 -3.3 171 -3.2 0 0.0 170 -1.1 11 34
168 A 168 VAL V H H > 3 TS+ 0 0 -49.5 -43.1 -179.6 61.4 72.5 29.6 166 -3.0 172 -3.7 0 0.0 0 0.0 12 38
169 A 169 GLU E H H 4 3 TS+ 0 0 -53.8 -38.9 179.8 30.5 117.5 27.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
170 A 170 SER S H H 4 < TS+ 0 0 -83.3 -53.1 -178.8 39.3 128.0 21.1 167 -1.1 0 0.0 0 0.0 0 0.0 8 33
171 A 171 VAL V H H < TS- 0 0 -67.0 -38.0 -179.0 -157.7 83.4 33.0 167 -3.2 86 -0.8 0 0.0 0 0.0 12 42
172 A 172 LYS K h < T - 0 0 52.9 65.7 -179.6 -141.3 19.9 11.7 168 -3.7 86 -2.3 0 0.0 0 0.0 12 42
173 A 173 PRO P B e A - 85 0 -58.0 142.9 178.7 -118.2 10.2 103.1 0 0.0 185 -2.8 0 0.0 0 0.0 14 54
174 A 174 VAL V E E A J - 0 184 -86.5 130.3 179.9 -166.0 29.2 135.7 84 -3.0 29 -2.4 0 0.0 0 0.0 14 50
175 A 175 LEU L E E AAJ - 28 183 -118.2 138.3 -179.2 -131.5 15.2 160.7 183 -2.6 183 -2.6 0 0.0 0 0.0 13 47
176 A 176 HIS H E E AAJ + 27 182 -93.0 132.5 178.4 173.5 25.3 138.8 27 -3.7 27 -2.5 0 0.0 0 0.0 15 43
177 A 177 VAL V E E A * - 0 0 -97.9 -46.6 179.9 -68.3 65.2 36.6 181 -2.3 0 0.0 0 0.0 0 0.0 12 31
178 A 178 GLY G E E A J> TS+ 0 181 160.3 148.2 -179.5 1.7 95.5 134.2 181 -1.4 181 -2.1 0 0.0 0 0.0 9 30
179 A 179 GLY G T T 3 TS- 0 0 59.1 -127.9 179.6 -24.9 130.0 111.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
180 A 180 ASN N T T 3 TS+ 0 0 -105.5 23.4 179.1 107.8 112.0 87.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
181 A 181 LYS K E E AJ < T + 178 0 -103.6 134.1 179.9 171.7 44.4 150.5 178 -2.1 177 -2.3 0 0.0 178 -1.4 7 28
182 A 182 PHE F E E AJ - 176 0 -134.5 173.3 178.7 -137.0 26.8 146.6 0 0.0 0 0.0 0 0.0 0 0.0 10 38
183 A 183 VAL V E E AJ - 175 0 -133.6 130.5 178.6 -139.7 15.3 178.8 175 -2.6 175 -2.6 0 0.0 185 -0.7 9 37
184 A 184 VAL V E E AJ - 174 0 -91.9 115.9 -177.6 -146.5 17.5 148.0 0 0.0 186 -1.5 0 0.0 0 0.0 9 37
185 A 185 GLY G e + 0 0 -84.9 62.4 179.8 117.6 60.1 113.1 173 -2.8 0 0.0 183 -0.7 0 0.0 10 37
186 A 186 ASP D + 0 0 -113.0 27.5 -179.7 107.7 41.6 90.9 184 -1.5 188 -0.8 0 0.0 0 0.0 10 32
187 A 187 HIS H - 0 0 -108.9 84.4 -179.3 -167.7 51.6 138.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
188 A 188 VAL V + 0 0 -77.1 129.1 179.6 171.5 11.5 123.8 186 -0.8 0 0.0 0 0.0 0 0.0 6 21
189 A 189 ARG R - 0 0 -139.3 115.0 179.5 -153.5 17.0 163.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
190 A 190 HIS H - 0 0 -88.9 150.4 178.4 -142.0 8.5 128.3 0 0.0 192 -0.6 0 0.0 0 0.0 4 12
191 A 191 VAL V 0 0 -97.9 100.2 177.1 999.9 999.9 150.3 0 0.0 0 0.0 0 0.0 0 0.0 3 5
192 A 192 GLU E 0 0 -129.1 999.9 999.9 999.9 999.9 59.3 190 -0.6 0 0.0 0 0.0 0 0.0 2 4
1ejeA.pdb
1EJE STRUCTURAL GENOMICS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHTTT GGGGGGTS EE EEEEEE TT EEEEEE SEEEEETTTTEEEEEE TTSHHHHHHHHH EEEEEE BGGGHHHHHHTTS Kabs/Sand
chirality -+++++++++-----+++++++++---+---+---+-+---+--++++-++-++-+--+-+--++-++++++++-++-------+++++++++++-+-- chirality
bends SSSSSSSSS SSS SSSS SS S SSS SSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTT TTTTTTTTT TTTT TTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >>3X<3< >>3XX3<< >33< >33< >>3<< >>3<< > 3-turns
bridge-2 CCCC EEEEEE FFFFF bridge-2
bridge-1 AA BBBBBB BBBBBB DDD*D DDDD CCCC A bridge-1
sheets AA BBBBBB BBBBBB BBBBB BBBBBB BBBBBB sheets
4-turns >>>><444< >>>>XXX<<<< >>>><<<< 4-turns
summary hHHHHHHhTTt gGGGGGGgt EEeEEEEEEeTTteEEEEEE eEEEEETTTeEEEEEEtTThHHHHHHHHHhEEEEEEeBTThHHHHHHhTt t summary
sequence GSQAAHMMSMDFEDFPVESAHRILTPRPTVMVTTVDEEGNINAAPFSFTMPVSIDPPVVAFASAPDHHTARNIESTHEFVINITPADIIERMWVTARDIP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT HHHHHT EE SSSSS EETT SEEEEEEEEEEEEETTEEEEEEEEEEEEE TT EETTEE HHHH BEEEEETTEEEE Kabs/Sand
chirality ++--++++-+------++-+----++-+------+----+--+-------++-+---+++---+--++++-----+-+-++---++-+-- chirality
bends SS SSSSS SSSSS SS S SSS SS SSSS SSSS SSS bends
turns TTTTTTTTTTT TTTT TTTT TTTT TTTT TTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns 33<>33X33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 HHHHHHH*HHHHH HHHHHHHH*HHHH JJJ*J bridge-2
bridge-1 GG GG FFFFF EEEEEE II II A AA JJJJ bridge-1
sheets CC CC BBBBBBBBBBBBB BBBBBBBBBBBBB DD DD AAAAA AAAA sheets
4-turns >>>4<<< >>44<< 4-turns
summary TTthHHHHHhteEE SSSSS EEeTteEEEEEEEEEEEEETTEEEEEEEEEEEEEeTTeEETTEEhHHHHheEEEEETTEEEEe summary
sequence AGENELEAAGLAWTSSRRVKPPRIVEAPGHLECELLRMFEVGDHNLITGSVVSASVRSGAVKEGLLDVESVKPVLHVGGNKFVVGDHVRHVE sequence
110 120 130 140 150 160 170 180 190