Secondary structure calculation program - copyright by David Keith Smith, 1989
1xbrA.pdb
1XBR COMPLEX (TRANSCRIPTION FACTOR/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 184
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 39 GLU E 0 0 999.9 -139.1 -174.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
2 A 40 LEU L + 0 0 13.6 81.5 -178.2 167.4 999.9 48.4 41 -0.6 0 0.0 0 0.0 0 0.0 7 30
3 A 41 LYS K E E AA - 40 0 -121.0 132.1 178.2 -171.1 21.2 158.1 40 -1.8 40 -1.6 0 0.0 0 0.0 8 34
4 A 42 VAL V E E AA - 39 0 -122.7 116.0 -179.2 -175.5 13.6 164.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
5 A 43 SER S E E AA - 38 0 -111.7 153.8 179.3 -114.7 25.9 143.6 38 -2.6 38 -2.5 0 0.0 0 0.0 7 41
6 A 44 LEU L E E AA > T - 37 0 -90.0 123.2 177.2 -146.8 25.0 135.9 0 0.0 9 -0.5 0 0.0 0 0.0 10 41
7 A 45 GLU E T e 3 TS+ 0 0 -82.8 155.2 -179.0 23.7 82.8 123.1 36 -2.9 0 0.0 0 0.0 0 0.0 9 35
8 A 46 GLU E T h > 3 TS+ 0 0 54.9 41.3 -179.6 164.3 74.2 30.4 0 0.0 12 -1.8 0 0.0 0 0.0 7 32
9 A 47 ARG R H H > < T + 0 0 -56.3 -37.9 180.0 57.5 66.7 32.3 6 -0.5 13 -2.2 0 0.0 0 0.0 8 30
10 A 48 ASP D H H > TS+ 0 0 -62.0 -48.2 179.7 46.2 106.2 23.4 0 0.0 14 -1.8 0 0.0 0 0.0 6 26
11 A 49 LEU L H H > TS+ 0 0 -63.7 -41.2 179.3 50.5 113.1 26.0 0 0.0 15 -1.4 0 0.0 0 0.0 8 38
12 A 50 TRP W H H X TS+ 0 0 -62.5 -42.6 -179.8 54.9 107.0 24.3 8 -1.8 16 -2.5 0 0.0 0 0.0 11 42
13 A 51 THR T H H X TS+ 0 0 -58.3 -40.7 179.4 52.5 105.4 27.6 9 -2.2 17 -2.4 0 0.0 0 0.0 10 33
14 A 52 ARG R H H X TS+ 0 0 -65.5 -35.2 179.0 48.0 110.3 30.5 10 -1.8 18 -0.6 0 0.0 0 0.0 8 35
15 A 53 PHE F H H X > TS+ 0 0 -71.1 -40.3 179.7 52.6 109.9 26.5 11 -1.4 18 -0.8 0 0.0 19 -0.6 11 46
16 A 54 LYS K H H < > TS+ 0 0 -60.3 -46.8 179.5 57.0 103.5 22.6 12 -2.5 19 -1.5 0 0.0 0 0.0 12 39
17 A 55 GLU E H H < 3 TS+ 0 0 -58.1 -23.7 179.3 42.4 112.0 47.5 13 -2.4 0 0.0 0 0.0 0 0.0 7 28
18 A 56 LEU L H H < < TS- 0 0 -100.1 -4.5 -176.4 -102.3 125.8 61.5 15 -0.8 0 0.0 14 -0.6 0 0.0 8 35
19 A 57 THR T h < < T - 0 0 75.2 93.6 -177.9 -115.6 44.8 31.4 16 -1.5 0 0.0 15 -0.6 0 0.0 9 47
20 A 58 ASN N e - 0 0 -62.0 148.4 179.2 -160.6 28.4 104.0 0 0.0 153 -1.9 0 0.0 0 0.0 12 58
21 A 59 GLU E E E Bb - 153 0 -132.9 135.1 179.4 -162.1 1.3 173.9 0 0.0 0 0.0 0 0.0 0 0.0 10 61
22 A 60 MET M E E Bb - 154 0 -122.0 129.8 178.3 -130.7 18.1 172.1 153 -2.1 155 -3.0 0 0.0 0 0.0 10 62
23 A 61 ILE I E E Bb - 155 0 -75.9 143.9 175.3 -170.1 20.7 115.4 0 0.0 0 0.0 0 0.0 0 0.0 12 51
24 A 62 VAL V e - 0 0 -134.0 131.4 -178.3 -169.0 10.9 170.8 155 -1.8 0 0.0 0 0.0 0 0.0 14 42
25 A 63 THR T B B a > T - 109 0 -122.4 168.7 179.7 -105.6 39.2 143.4 108 -1.1 110 -0.8 0 0.0 28 -0.5 11 33
26 A 64 LYS K T T 3 TS+ 0 0 -60.7 -26.3 -178.8 38.6 124.5 36.2 0 0.0 0 0.0 0 0.0 0 0.0 7 28
27 A 65 ASN N T T 3 TS- 0 0 -102.4 -9.4 -178.4 -92.7 125.0 58.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
28 A 66 GLY G t < T - 0 0 101.3 133.3 -177.9 -139.2 36.1 74.4 25 -0.5 0 0.0 0 0.0 0 0.0 11 34
29 A 67 ARG R E E CC - 108 0 -128.7 144.4 179.1 -120.6 14.6 162.5 108 -2.6 108 -3.1 0 0.0 0 0.0 10 43
30 A 68 ARG R E E CC - 107 0 -80.8 160.3 -179.7 -105.4 34.0 115.8 0 0.0 0 0.0 0 0.0 0 0.0 10 43
31 A 69 MET M e - 0 0 -85.3 152.8 173.7 -131.8 28.1 114.6 106 -0.6 0 0.0 0 0.0 0 0.0 12 59
32 A 70 PHE F S S S+ 0 0 -153.0 124.6 -0.1 33.4 94.0 152.3 0 0.0 0 0.0 0 0.0 0 0.0 8 56
33 A 71 PRO P S S S- 0 0 -64.8 170.0 177.2 -121.3 103.7 51.3 0 0.0 0 0.0 0 0.0 0 0.0 8 55
34 A 72 VAL V - 0 0 -81.7 132.9 179.6 -115.3 25.9 136.2 0 0.0 36 -0.6 0 0.0 0 0.0 9 51
35 A 73 LEU L e + 0 0 -71.8 113.3 178.6 170.5 45.6 126.7 0 0.0 103 -2.9 0 0.0 0 0.0 11 59
36 A 74 LYS K E E A D + 0 102 -128.0 135.0 179.2 173.6 4.1 174.2 34 -0.6 7 -2.9 0 0.0 0 0.0 11 48
37 A 75 VAL V E E AAD - 6 101 -138.8 160.2 178.5 -133.9 24.4 160.5 101 -2.5 101 -2.8 0 0.0 0 0.0 11 46
38 A 76 SER S E E AA - 5 0 -113.6 132.1 177.2 -164.9 22.0 165.7 5 -2.5 5 -2.6 0 0.0 0 0.0 13 39
39 A 77 MET M E E AA + 4 0 -123.1 147.0 179.8 164.4 12.7 153.0 96 -0.6 0 0.0 0 0.0 0 0.0 13 47
40 A 78 SER S E E AA + 3 0 -147.4 164.3 -179.4 57.5 50.3 163.4 3 -1.6 3 -1.8 0 0.0 0 0.0 9 37
41 A 79 GLY G + 0 0 85.2 18.0 178.2 136.4 69.7 44.3 0 0.0 2 -0.6 0 0.0 0 0.0 7 32
42 A 80 LEU L S S S- 0 0 -94.2 148.4 176.4 -100.3 71.1 138.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
43 A 81 ASP D t > T - 0 0 -66.1 114.5 -179.4 -143.4 35.0 127.8 0 0.0 46 -1.6 0 0.0 93 -0.7 7 31
44 A 82 PRO P T T 3 TS+ 0 0 -51.5 -28.9 -176.9 40.9 98.2 37.6 0 0.0 94 -2.5 0 0.0 0 0.0 9 27
45 A 83 ASN N T T 3 TS+ 0 0 -101.6 -5.1 179.7 101.3 93.8 63.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
46 A 84 ALA A S e < TS- 0 0 -79.7 154.3 179.6 -117.4 75.4 119.9 43 -1.6 93 -2.0 0 0.0 48 -0.5 10 33
47 A 85 MET M E E BEF + 135 92 -95.8 127.6 179.3 178.9 38.2 144.4 135 -0.6 135 -3.6 0 0.0 0 0.0 11 35
48 A 86 TYR Y E E BEF - 134 91 -130.4 152.0 177.2 -154.4 21.9 161.4 91 -3.1 91 -3.0 46 -0.5 0 0.0 13 44
49 A 87 THR T E E BE - 133 0 -123.0 129.8 -179.5 -145.2 17.3 169.6 133 -2.4 133 -2.9 0 0.0 0 0.0 14 44
50 A 88 VAL V E E BE - 132 0 -100.4 129.9 -178.6 -171.2 17.8 148.2 0 0.0 86 -2.9 0 0.0 0 0.0 12 57
51 A 89 LEU L E E BEG - 131 85 -123.1 153.2 -179.8 -160.6 9.5 157.5 131 -2.9 131 -3.0 0 0.0 0 0.0 12 51
52 A 90 LEU L E E BEG + 130 84 -133.4 131.2 176.3 157.8 18.0 170.6 84 -2.3 84 -3.0 0 0.0 0 0.0 12 56
53 A 91 ASP D E E BE - 129 0 -143.1 170.4 -178.4 -121.8 32.9 151.5 129 -2.3 129 -2.6 0 0.0 0 0.0 13 52
54 A 92 PHE F E E BE - 128 0 -124.1 126.0 -179.5 -159.9 18.4 171.9 0 0.0 81 -2.9 0 0.0 0 0.0 12 55
55 A 93 VAL V E E BE - 127 0 -105.1 141.2 -179.7 -101.0 32.6 143.5 127 -2.5 127 -2.0 0 0.0 0 0.0 11 44
56 A 94 ALA A E E BE - 126 0 -62.8 125.0 -179.5 -150.0 22.0 115.8 0 0.0 0 0.0 0 0.0 0 0.0 12 41
57 A 95 ALA A S e S- 0 0 -68.5 -21.1 178.8 -22.5 76.5 46.9 125 -2.0 0 0.0 0 0.0 0 0.0 9 43
58 A 96 ASP D S S S- 0 0 -172.1 177.7 -179.3 -98.0 70.2 158.8 125 -0.5 0 0.0 0 0.0 0 0.0 7 36
59 A 97 ASN N S S S+ 0 0 -106.2 34.2 179.8 109.1 80.6 89.2 0 0.0 76 -2.3 0 0.0 0 0.0 10 33
60 A 98 HIS H - 0 0 -112.0 146.4 174.4 -136.5 62.6 142.2 0 0.0 0 0.0 0 0.0 0 0.0 12 32
61 A 99 ARG R E E DH - 72 0 -92.4 133.7 -179.8 -143.6 34.5 145.0 72 -0.8 72 -1.6 0 0.0 0 0.0 11 34
62 A 100 TRP W E E DH - 71 0 -103.3 156.5 178.5 -169.6 17.2 136.6 123 -2.5 0 0.0 0 0.0 0 0.0 11 43
63 A 101 LYS K E E DH - 70 0 -141.6 146.4 -179.6 -119.5 27.1 169.6 70 -2.0 70 -3.0 0 0.0 65 -0.9 9 34
64 A 102 TYR Y E E DH + 69 0 -91.1 105.4 -178.4 174.3 39.6 144.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
65 A 103 VAL V E E DH > T - 68 0 -119.9 122.3 179.9 -18.5 64.1 164.6 68 -2.8 68 -0.6 63 -0.9 0 0.0 7 18
66 A 104 ASN N T T 3 TS- 0 0 51.6 48.1 178.7 -49.1 128.9 24.3 0 0.0 0 0.0 0 0.0 0 0.0 4 13
67 A 105 GLY G T T 3 TS+ 0 0 66.7 28.3 178.6 97.3 121.1 40.8 0 0.0 0 0.0 0 0.0 0 0.0 6 20
68 A 106 GLU E E E DH < TS- 65 0 -147.8 143.7 178.3 -114.5 75.6 175.1 65 -0.6 65 -2.8 0 0.0 70 -0.5 7 26
69 A 107 TRP W E E DH - 64 0 -79.1 125.4 -175.7 -179.2 41.4 136.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
70 A 108 VAL V E E DH - 63 0 -133.9 133.4 179.9 -129.6 24.0 166.0 63 -3.0 63 -2.0 68 -0.5 0 0.0 8 32
71 A 109 PRO P E E DH + 62 0 -76.0 154.9 179.4 162.1 37.8 117.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
72 A 110 GLY G E E DH + 61 0 -166.3 166.1 179.3 25.4 22.9 173.7 61 -1.6 61 -0.8 0 0.0 0 0.0 9 23
73 A 111 GLY G S S S- 0 0 73.6 -171.9 -178.8 -16.6 96.9 93.9 0 0.0 0 0.0 0 0.0 0 0.0 6 18
74 A 112 LYS K S S S- 0 0 -73.3 113.2 179.9 -125.6 72.0 124.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
75 A 113 PRO P - 0 0 -63.8 134.9 -179.6 -170.3 30.9 112.3 0 0.0 0 0.0 0 0.0 0 0.0 8 21
76 A 114 GLU E - 0 0 -132.5 145.1 179.8 -109.6 25.3 165.6 59 -2.3 0 0.0 0 0.0 0 0.0 6 23
77 A 115 PRO P - 0 0 -69.1 138.9 179.2 -152.7 31.9 115.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
78 A 116 GLN Q - 0 0 -122.2 123.6 179.9 -133.0 8.5 164.0 0 0.0 0 0.0 0 0.0 0 0.0 6 29
79 A 117 ALA A - 0 0 -69.0 146.4 179.4 -98.2 33.7 110.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
80 A 118 PRO P - 0 0 -64.8 139.6 -179.1 -104.6 48.6 116.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
81 A 119 SER S - 0 0 -59.0 169.6 178.1 -82.8 44.3 92.6 54 -2.9 0 0.0 0 0.0 0 0.0 10 43
82 A 120 CYS C - 0 0 -70.4 160.2 -177.5 -97.4 56.2 106.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
83 A 121 VAL V - 0 0 -88.6 144.5 179.0 -150.3 26.0 126.7 0 0.0 85 -0.5 0 0.0 0 0.0 9 41
84 A 122 TYR Y E E BG - 52 0 -112.7 120.1 179.6 -139.4 14.6 165.3 52 -3.0 52 -2.3 0 0.0 86 -0.5 11 45
85 A 123 ILE I E E BG - 51 0 -81.4 122.8 177.8 -117.1 24.5 133.7 83 -0.5 0 0.0 0 0.0 0 0.0 9 41
86 A 124 HIS H e > T - 0 0 -59.5 128.8 -179.5 -124.4 25.1 117.7 50 -2.9 89 -2.2 84 -0.5 0 0.0 10 46
87 A 125 PRO P T T 3 TS+ 0 0 -51.0 -18.1 179.6 67.2 105.5 55.3 0 0.0 0 0.0 0 0.0 0 0.0 4 34
88 A 126 ASP D T T 3 TS+ 0 0 -84.8 -0.1 -178.0 155.4 86.5 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 36
89 A 127 SER S t < T + 0 0 -86.2 143.5 -0.1 33.2 42.8 128.8 86 -2.2 0 0.0 0 0.0 0 0.0 9 33
90 A 128 PRO P S S S+ 0 0 -84.9 155.6 -179.5 139.9 88.5 56.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
91 A 129 ASN N E E BF - 48 0 -159.4 160.9 -178.1 -83.4 50.1 177.6 48 -3.0 48 -3.1 0 0.0 0 0.0 10 33
92 A 130 PHE F E E >BF > T - 47 0 -64.7 150.5 178.9 -121.9 34.4 103.8 0 0.0 96 -2.1 0 0.0 95 -0.7 11 33
93 A 131 GLY G H H > 3 TS+ 0 0 -56.2 -42.8 179.9 58.4 114.8 24.2 46 -2.0 97 -1.6 43 -0.7 0 0.0 13 40
94 A 132 ALA A H H > 3 TS+ 0 0 -54.9 -39.5 179.5 48.6 106.0 32.2 44 -2.5 98 -1.2 0 0.0 0 0.0 10 32
95 A 133 HIS H H H > X TS+ 0 0 -66.6 -48.0 -179.9 51.4 109.8 19.7 92 -0.7 99 -0.9 0 0.0 98 -0.5 9 32
96 A 134 TRP W H H < 3 TS+ 0 0 -60.4 -27.6 -179.8 41.1 116.3 44.0 92 -2.1 39 -0.6 0 0.0 0 0.0 11 45
97 A 135 MET M H H < 3 TS+ 0 0 -97.7 -14.6 -179.0 76.4 98.6 54.8 93 -1.6 0 0.0 0 0.0 0 0.0 13 37
98 A 136 LYS K H H < < TS+ 0 0 -60.1 -65.5 179.9 8.6 108.3 7.5 94 -1.2 0 0.0 95 -0.5 0 0.0 6 27
99 A 137 ASP D S h < TS- 0 0 -116.2 157.7 179.7 -80.1 98.8 141.1 95 -0.9 0 0.0 0 0.0 0 0.0 7 28
100 A 138 PRO P - 0 0 -57.9 142.4 -179.5 -117.2 46.5 108.3 0 0.0 102 -0.6 0 0.0 0 0.0 11 35
101 A 139 VAL V E E AD - 37 0 -87.4 117.0 -176.6 -168.2 34.8 138.8 37 -2.8 37 -2.5 0 0.0 0 0.0 10 48
102 A 140 SER S E E AD - 36 0 -114.0 135.0 179.4 -160.5 23.8 150.8 100 -0.6 0 0.0 0 0.0 0 0.0 8 45
103 A 141 PHE F e > T + 0 0 -105.1 51.5 -176.7 138.6 43.2 106.9 35 -2.9 106 -0.9 0 0.0 0 0.0 9 47
104 A 142 SER S T T 3 T + 0 0 -72.5 -14.3 -177.0 51.8 64.7 50.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
105 A 143 LYS K T T 3 TS+ 0 0 -102.3 -6.9 -178.8 116.8 76.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
106 A 144 VAL V e < T - 0 0 -65.6 137.1 178.9 -150.9 52.3 115.2 103 -0.9 31 -0.6 0 0.0 0 0.0 10 48
107 A 145 LYS K E E CC - 30 0 -113.6 134.0 179.7 -151.5 2.1 161.5 0 0.0 118 -2.4 0 0.0 0 0.0 11 48
108 A 146 LEU L E E CCi + 29 118 -104.2 135.2 -179.2 168.8 23.7 148.7 29 -3.1 29 -2.6 0 0.0 25 -1.1 15 56
109 A 147 THR T E E Cai - 25 119 -140.9 169.9 179.3 -141.4 41.2 153.2 118 -2.8 120 -2.6 0 0.0 0 0.0 15 42
110 A 148 ASN N S S S+ 0 0 -115.8 9.6 -179.8 80.7 81.7 78.0 25 -0.8 0 0.0 0 0.0 0 0.0 12 38
111 A 149 LYS K S S S- 0 0 -113.2 162.1 179.2 -120.3 83.8 138.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
112 A 150 MET M + 0 0 -97.0 46.9 179.0 149.0 55.2 105.9 0 0.0 114 -0.8 0 0.0 0 0.0 6 24
113 A 151 ASN N t > T - 0 0 -84.0 111.3 -179.4 -141.3 45.3 136.6 0 0.0 115 -2.6 0 0.0 117 -0.6 6 25
114 A 152 GLY G T T 4 T + 0 0 -72.4 72.2 179.6 119.9 64.0 117.0 112 -0.8 0 0.0 0 0.0 0 0.0 5 22
115 A 153 GLY G T T 4 TS- 0 0 -120.4 18.3 -178.9 -86.9 98.0 83.3 113 -2.6 0 0.0 0 0.0 0 0.0 4 26
116 A 154 GLY G T T 4 TS+ 0 0 84.6 14.2 178.9 134.5 89.9 50.2 0 0.0 0 0.0 0 0.0 0 0.0 7 33
117 A 155 GLN Q t < T - 0 0 -99.4 140.7 -178.5 -117.5 59.4 143.0 113 -0.6 119 -0.5 0 0.0 0 0.0 12 39
118 A 156 ILE I E E Ci - 108 0 -82.1 118.4 179.2 -145.0 24.1 130.9 107 -2.4 109 -2.8 0 0.0 0 0.0 13 50
119 A 157 MET M E E Ci + 109 0 -84.8 134.6 178.6 171.2 24.5 133.1 117 -0.5 0 0.0 0 0.0 0 0.0 11 48
120 A 158 LEU L e - 0 0 -135.9 158.8 178.1 -116.2 33.9 156.3 109 -2.6 122 -0.5 0 0.0 0 0.0 10 59
121 A 159 ASN N - 0 0 -100.5 124.6 -179.1 -123.7 34.3 154.8 0 0.0 0 0.0 0 0.0 0 0.0 7 50
122 A 160 SER S S S S+ 0 0 -65.8 158.5 -179.4 35.3 91.7 103.8 120 -0.5 0 0.0 0 0.0 0 0.0 10 52
123 A 161 LEU L S S S+ 0 0 66.9 32.4 177.8 104.8 98.3 38.0 154 -3.5 62 -2.5 0 0.0 0 0.0 10 50
124 A 162 HIS H S e S- 0 0 -139.2 140.8 179.1 -119.1 71.6 168.7 0 0.0 154 -2.2 0 0.0 0 0.0 14 52
125 A 163 LYS K E E B J - 0 153 -83.4 144.4 179.0 -175.0 32.1 132.8 0 0.0 57 -2.0 0 0.0 58 -0.5 14 55
126 A 164 TYR Y E E BEJ - 56 152 -137.6 157.6 178.4 -153.6 18.3 157.3 152 -2.5 152 -1.8 0 0.0 0 0.0 13 56
127 A 165 GLU E E E BE - 55 0 -134.8 119.8 179.3 -126.2 25.0 175.1 55 -2.0 55 -2.5 0 0.0 0 0.0 14 55
128 A 166 PRO P E E BE - 54 0 -61.4 147.8 -179.8 -163.8 26.0 113.1 0 0.0 147 -0.8 0 0.0 0 0.0 12 63
129 A 167 ARG R E E BEK - 53 146 -143.5 130.2 -178.2 -152.4 5.3 174.4 53 -2.6 53 -2.3 0 0.0 0 0.0 12 52
130 A 168 ILE I E E BEK - 52 145 -105.0 139.2 179.6 -164.6 7.2 146.6 145 -2.2 145 -1.7 0 0.0 0 0.0 11 58
131 A 169 HIS H E E BEK - 51 144 -127.4 129.7 177.4 -159.4 9.2 170.6 51 -3.0 51 -2.9 0 0.0 133 -0.6 11 54
132 A 170 ILE I E E BEK - 50 143 -107.4 112.6 -178.4 -170.0 19.5 160.3 143 -2.3 143 -2.2 0 0.0 134 -0.5 11 55
133 A 171 VAL V E E BEK - 49 142 -110.7 123.6 179.1 -127.9 20.5 159.7 49 -2.9 49 -2.4 131 -0.6 0 0.0 12 46
134 A 172 ARG R E E BE - 48 0 -68.4 133.2 -179.0 -148.2 24.7 115.5 141 -2.4 0 0.0 132 -0.5 0 0.0 11 38
135 A 173 VAL V E E BE + 47 0 -106.6 136.6 -179.1 3.7 55.2 151.7 47 -3.6 47 -0.6 0 0.0 0 0.0 9 32
136 A 174 GLY G S S S+ 0 0 82.5 177.9 -179.4 80.2 84.2 96.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
137 A 175 GLY G S S S- 0 0 74.1 -178.0 -179.2 -91.4 86.0 100.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
138 A 176 THR T S S S+ 0 0 -114.2 -3.7 177.5 83.2 97.9 61.6 0 0.0 0 0.0 0 0.0 0 0.0 4 12
139 A 177 GLN Q S S S- 0 0 -100.2 141.0 177.1 -134.3 72.3 142.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
140 A 178 ARG R + 0 0 -94.8 144.5 179.5 173.4 25.5 136.6 0 0.0 0 0.0 0 0.0 0 0.0 7 17
141 A 179 MET M e + 0 0 -151.5 116.5 -177.8 167.8 6.1 154.5 0 0.0 134 -2.4 0 0.0 0 0.0 6 26
142 A 180 ILE I E E BK - 133 0 -140.2 129.3 179.3 -169.0 11.6 168.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
143 A 181 THR T E E BK - 132 0 -120.9 141.2 178.7 -166.6 2.3 157.4 132 -2.2 132 -2.3 0 0.0 0 0.0 7 35
144 A 182 SER S E E BK + 131 0 -125.1 148.6 178.7 179.0 6.2 159.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
145 A 183 HIS H E E BK - 130 0 -151.3 128.4 179.9 -167.2 6.0 163.5 130 -1.7 130 -2.2 0 0.0 0 0.0 8 36
146 A 184 SER S E E BK - 129 0 -114.0 152.6 179.4 -145.4 12.2 147.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
147 A 185 PHE F e > T - 0 0 -122.9 114.0 -179.6 -159.2 0.7 165.3 128 -0.8 150 -1.7 0 0.0 0 0.0 10 44
148 A 186 PRO P G G > TS+ 0 0 -58.0 -35.8 -179.2 63.7 91.0 35.0 0 0.0 151 -1.6 0 0.0 0 0.0 6 41
149 A 187 GLU E G G 3 TS+ 0 0 -68.6 -9.1 -179.6 62.2 93.8 52.7 0 0.0 0 0.0 0 0.0 0 0.0 8 41
150 A 188 THR T G G < TS+ 0 0 -98.8 5.6 178.4 126.1 73.8 69.6 147 -1.7 0 0.0 0 0.0 0 0.0 11 51
151 A 189 GLN Q g < T + 0 0 -61.4 145.3 179.3 164.4 33.1 111.3 148 -1.6 0 0.0 0 0.0 0 0.0 13 52
152 A 190 PHE F E E B J - 0 126 -155.5 166.2 176.7 -114.9 39.4 161.5 126 -1.8 126 -2.5 0 0.0 154 -0.5 12 65
153 A 191 ILE I E E BbJ - 21 125 -109.5 123.6 178.4 -125.5 34.6 163.5 20 -1.9 22 -2.1 0 0.0 0 0.0 13 60
154 A 192 ALA A E E Bb + 22 0 -67.4 132.5 179.8 172.8 40.7 125.1 124 -2.2 123 -3.5 152 -0.5 0 0.0 15 62
155 A 193 VAL V E E Bb - 23 0 -141.0 158.9 178.3 -147.0 41.6 159.7 22 -3.0 24 -1.8 0 0.0 0 0.0 11 48
156 A 194 THR T S S S+ 0 0 -101.2 -4.8 -179.5 15.5 95.8 65.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
157 A 195 ALA A S S S- 0 0 -168.5 129.0 -178.9 -101.4 92.4 148.8 0 0.0 0 0.0 0 0.0 0 0.0 5 36
158 A 196 TYR Y - 0 0 -55.0 151.1 179.5 -178.5 30.8 98.4 0 0.0 0 0.0 0 0.0 0 0.0 10 38
159 A 197 GLN Q + 0 0 -118.3 -48.5 179.3 61.5 67.0 49.2 0 0.0 161 -0.8 0 0.0 0 0.0 5 35
160 A 198 ASN N h > > T - 0 0 -89.3 112.7 -178.8 -158.5 66.0 139.9 0 0.0 164 -1.6 0 0.0 163 -1.4 8 36
161 A 199 GLU E H H > 3 TS+ 0 0 -67.2 -7.0 178.4 69.3 89.0 56.5 159 -0.8 165 -1.2 0 0.0 0 0.0 7 32
162 A 200 GLU E H H > 3 TS+ 0 0 -78.5 -31.7 178.7 44.2 102.9 31.1 0 0.0 166 -0.9 0 0.0 0 0.0 7 30
163 A 201 ILE I H H > X TS+ 0 0 -73.4 -50.6 179.6 54.9 109.5 16.5 160 -1.4 167 -2.5 0 0.0 166 -1.1 12 44
164 A 202 THR T H H X 3 TS+ 0 0 -50.9 -36.2 -179.6 51.6 107.7 32.0 160 -1.6 168 -2.6 0 0.0 0 0.0 9 44
165 A 203 ALA A H H X 3 TS+ 0 0 -71.5 -31.5 179.7 49.7 109.0 36.4 161 -1.2 169 -1.9 0 0.0 0 0.0 8 36
166 A 204 LEU L H H X < TS+ 0 0 -74.5 -35.5 178.5 48.5 111.7 32.8 163 -1.1 170 -1.1 162 -0.9 0 0.0 9 42
167 A 205 LYS K H H X > TS+ 0 0 -65.0 -56.0 -179.6 46.7 113.8 14.4 163 -2.5 171 -3.1 0 0.0 170 -0.6 11 44
168 A 206 ILE I H H < 3 TS+ 0 0 -54.4 -44.6 -179.7 49.2 112.5 28.4 164 -2.6 0 0.0 0 0.0 0 0.0 12 34
169 A 207 LYS K H H < 3 TS+ 0 0 -71.1 -22.2 -176.8 30.5 123.5 39.7 165 -1.9 0 0.0 0 0.0 0 0.0 9 28
170 A 208 HIS H H H < < TS+ 0 0 -113.2 -18.6 -179.4 82.2 96.9 45.2 166 -1.1 0 0.0 167 -0.6 0 0.0 7 33
171 A 209 ASN N h < > T - 0 0 -93.7 121.0 -180.0 -149.7 62.8 142.4 167 -3.1 174 -2.0 0 0.0 0 0.0 10 30
172 A 210 PRO P G T > TS+ 0 0 -53.0 -42.2 -179.7 60.6 96.3 28.6 0 0.0 175 -2.0 0 0.0 0 0.0 6 22
173 A 211 PHE F G T 3 TS+ 0 0 -65.8 -7.6 179.4 55.9 101.2 54.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
174 A 212 ALA A G h > X TS+ 0 0 -110.0 21.0 -178.7 114.2 71.1 84.2 171 -2.0 178 -1.5 0 0.0 177 -0.5 11 25
175 A 213 LYS K H H > < T + 0 0 -60.2 -38.7 -179.8 67.2 64.9 28.1 172 -2.0 179 -3.4 0 0.0 0 0.0 10 20
176 A 214 ALA A H H > 3 TS+ 0 0 -47.7 -47.9 -179.1 42.3 105.8 25.9 0 0.0 180 -1.9 0 0.0 0 0.0 7 20
177 A 215 PHE F H H > < TS+ 0 0 -70.2 -37.6 179.7 49.9 114.1 31.0 174 -0.5 181 -1.2 0 0.0 0 0.0 8 22
178 A 216 LEU L H H X > TS+ 0 0 -66.2 -48.5 178.6 50.0 110.7 17.3 174 -1.5 182 -2.2 0 0.0 181 -0.8 10 23
179 A 217 ASP D H H X 3 TS+ 0 0 -53.7 -44.4 179.1 60.6 104.1 26.4 175 -3.4 183 -0.7 0 0.0 0 0.0 8 19
180 A 218 ALA A H H X 3 TS+ 0 0 -52.5 -38.4 179.8 42.4 109.5 30.5 176 -1.9 184 -1.5 0 0.0 0 0.0 8 16
181 A 219 LYS K H H < < TS+ 0 0 -76.5 -44.6 -178.7 62.7 104.2 27.5 177 -1.2 0 0.0 178 -0.8 0 0.0 7 18
182 A 220 GLU E H H < TS+ 0 0 -61.8 -5.6 178.3 31.0 117.0 56.9 178 -2.2 0 0.0 0 0.0 0 0.0 6 14
183 A 221 ARG R H H < T 0 0 -121.5 -31.1 179.8 999.9 999.9 49.9 179 -0.7 0 0.0 0 0.0 0 0.0 5 10
184 A 222 ASN N h < T 0 0 -88.4 999.9 999.9 999.9 999.9 56.8 180 -1.5 0 0.0 0 0.0 0 0.0 4 8
1xbrA.pdb
1XBR COMPLEX (TRANSCRIPTION FACTOR/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEETTHHHHHHHHHH EEE BTT EE SS EEEEE S TTSEEEEEEEEEESSS EEEEETTEEEEESS EE TT SEEHHHHHHS Kabs/Sand
chirality +----+++++++++++--------+-----+--++--+++--++-+----+------+----+--+---++--------------++++--++++++-- chirality
bends SS SSSSSSSSS SS SS S SSS SSS SSS SS SS S SSSSSSS bends
turns TTTTTTTTTTTTTT TTTT TTTT TTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< >33< >33< >33X33< 3-turns
bridge-2 DD FF GG bridge-2
bridge-1 AAAA bbb a CC AAAA EEEEEEEEEE HHHHH HHHHH GG FF bridge-1
sheets AAAA BBB CC AAAAA BBBBBBBBBB DDDDD DDDDD BB BB sheets
4-turns >>>>XXXX<<<< >>>><<<< 4-turns
summary EEEEehHHHHHHHHHHheEEEeBTTtEEeSS eEEEEE StTTeEEEEEEEEEEeSS EEEEETTEEEEESS EEeTTtSEEHHHHHHh summary
sequence ELKVSLEERDLWTRFKELTNEMIVTKNGRRMFPVLKVSMSGLDPNAMYTVLLDFVAADNHRWKYVNGEWVPGGKPEPQAPSCVYIHPDSPNFGAHWMKDP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE TT EEESS TTT EE SSSEEEEEEEEEEESSSS EEEEE GGG EEEESS HHHHHHHHHH GGGHHHHHHHHH Kabs/Sand
chirality --+++--+-+-+-+-+--+--++-----------++-+-++--+---++++--+-+--+-++++++++++-+++++++++++ chirality
bends S SS SS SSS SSSS SSS SS SSSSSSSSSS SSS SSSSSSS bends
turns TTTT TTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33X33<>33<>>3X<3<>33< 3-turns
bridge-2 ii JJ KKKKK JJ bridge-2
bridge-1 DD CCa ii EEEEEEEEEE KKKKK bbb bridge-1
sheets AA CCC CC BBBBBBBBBBB BBBBB BBBB sheets
4-turns >444< >>>>XXXX<<<< >>>>XXX<<<< 4-turns
summary EEeTTeEEESS tTTTtEEe SSeEEEEEEEEEEESSSS eEEEEEeGGGgEEEESS hHHHHHHHHHHhTThHHHHHHHHHh summary
sequence VSFSKVKLTNKMNGGGQIMLNSLHKYEPRIHIVRVGGTQRMITSHSFPETQFIAVTAYQNEEITALKIKHNPFAKAFLDAKERN sequence
110 120 130 140 150 160 170 180