Secondary structure calculation program - copyright by David Keith Smith, 1989
1tlfA.pdb
1TLF TRANSCRIPTION REGULATION TRYPTIC CORE FRAGMENT OF THE LACTOSE REPRESSOR OF (ESCHERICHIA COLI)
Sequence length - 296
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 61 SER S 0 0 999.9 -114.4 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 A 62 LEU L e - 0 0 -73.4 179.6 -177.4 -116.9 999.9 94.5 0 0.0 33 -2.1 0 0.0 0 0.0 8 36
3 A 63 LEU L E E Aa - 33 0 -128.4 130.8 -178.9 -156.0 16.5 167.0 0 0.0 60 -3.3 0 0.0 61 -0.9 12 42
4 A 64 ILE I E E Aab - 34 61 -106.6 128.5 -180.0 -151.5 7.9 153.1 33 -3.1 35 -2.8 0 0.0 0 0.0 13 61
5 A 65 GLY G E E Aab - 35 62 -102.3 131.1 -178.3 -160.7 9.6 150.8 61 -3.2 63 -2.4 0 0.0 0 0.0 14 64
6 A 66 VAL V E E Aab - 36 63 -117.6 122.8 178.6 -162.3 9.1 162.3 35 -2.7 37 -3.0 0 0.0 8 -0.8 13 70
7 A 67 ALA A E E Aab + 37 64 -100.8 105.6 -176.4 178.9 27.9 153.9 63 -2.7 65 -2.4 0 0.0 0 0.0 16 69
8 A 68 THR T E E Aab - 38 65 -113.8 153.8 176.4 -131.6 27.2 140.1 37 -3.0 39 -3.0 6 -0.8 0 0.0 14 61
9 A 69 SER S S e S- 0 0 -85.6 -179.0 -177.6 -30.7 71.1 108.7 65 -0.8 0 0.0 0 0.0 0 0.0 12 53
10 A 70 SER S t > T - 0 0 -44.2 119.2 178.9 -155.3 46.6 94.1 0 0.0 13 -1.6 0 0.0 0 0.0 10 37
11 A 71 LEU L T T 3 TS+ 0 0 -78.1 13.2 178.4 84.5 85.9 83.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
12 A 72 ALA A T T 3 TS+ 0 0 -84.9 -29.1 179.3 72.1 78.6 46.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
13 A 73 LEU L S h > < TS- 0 0 -83.5 147.3 -177.0 -132.9 86.6 129.7 10 -1.6 17 -1.5 0 0.0 0 0.0 9 47
14 A 74 HIS H H H > TS+ 0 0 -72.6 -40.5 -179.6 60.1 96.9 26.5 0 0.0 18 -2.9 0 0.0 0 0.0 9 42
15 A 75 ALA A H H > TS+ 0 0 -53.0 -54.0 179.4 45.4 108.8 14.3 0 0.0 19 -2.8 0 0.0 0 0.0 9 55
16 A 76 PRO P H H > TS+ 0 0 -55.4 -52.8 179.4 48.4 113.1 17.5 0 0.0 20 -2.8 0 0.0 0 0.0 13 57
17 A 77 SER S H H X TS+ 0 0 -56.2 -34.2 -179.6 50.2 113.6 28.1 13 -1.5 21 -2.2 0 0.0 0 0.0 10 45
18 A 78 GLN Q H H X TS+ 0 0 -73.2 -35.8 -179.6 50.1 109.0 25.7 14 -2.9 22 -2.2 0 0.0 0 0.0 10 45
19 A 79 ILE I H H X TS+ 0 0 -66.0 -51.3 -180.0 48.3 110.9 9.4 15 -2.8 23 -2.6 0 0.0 0 0.0 12 58
20 A 80 VAL V H H X TS+ 0 0 -54.4 -45.1 -179.6 53.6 109.7 23.7 16 -2.8 24 -2.4 0 0.0 0 0.0 11 53
21 A 81 ALA A H H X TS+ 0 0 -55.9 -46.4 -179.0 48.1 109.3 21.2 17 -2.2 25 -2.0 0 0.0 0 0.0 9 45
22 A 82 ALA A H H X TS+ 0 0 -61.6 -40.8 179.5 54.5 108.3 26.0 18 -2.2 26 -1.9 0 0.0 0 0.0 14 43
23 A 83 ILE I H H X TS+ 0 0 -58.4 -45.2 179.6 50.3 108.3 20.6 19 -2.6 27 -2.5 0 0.0 0 0.0 14 53
24 A 84 LYS K H H X TS+ 0 0 -60.1 -43.5 -179.9 53.9 106.1 28.6 20 -2.4 28 -2.7 0 0.0 0 0.0 11 45
25 A 85 SER S H H X TS+ 0 0 -58.6 -44.7 179.7 44.8 112.8 20.7 21 -2.0 29 -1.9 0 0.0 0 0.0 9 32
26 A 86 ARG R H H X TS+ 0 0 -63.8 -61.5 178.8 47.1 113.2 11.6 22 -1.9 30 -2.1 0 0.0 0 0.0 12 39
27 A 87 ALA A H H < >TS+ 0 0 -45.3 -50.5 -180.0 59.1 108.3 21.2 23 -2.5 32 -1.9 0 0.0 0 0.0 13 42
28 A 88 ASP D H H < >5TS+ 0 0 -44.7 -53.0 179.8 47.4 106.4 25.1 24 -2.7 31 -1.7 0 0.0 0 0.0 9 28
29 A 89 GLN Q H H < 35TS+ 0 0 -56.6 -48.3 -178.1 44.4 114.3 24.2 25 -1.9 0 0.0 0 0.0 0 0.0 7 25
30 A 90 LEU L T h < 35TS- 0 0 -84.2 15.7 179.7 -114.5 116.1 78.6 26 -2.1 0 0.0 0 0.0 0 0.0 6 28
31 A 91 GLY G T T <5T + 0 0 64.3 10.5 179.5 142.2 69.3 54.5 28 -1.7 0 0.0 0 0.0 0 0.0 8 22
32 A 92 ALA A t T - 0 0 -93.3 152.9 -178.4 -107.1 32.7 134.6 0 0.0 43 -1.3 0 0.0 0 0.0 9 34
41 A 101 ARG R T T 3 TS+ 0 0 -61.0 6.4 -179.0 101.4 97.2 66.2 0 0.0 0 0.0 0 0.0 0 0.0 7 39
42 A 102 SER S T T 3 TS- 0 0 -65.7 -27.3 180.0 -150.6 73.1 45.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
43 A 103 GLY G h > X T + 0 0 96.1 -154.1 -178.7 20.0 58.3 125.7 40 -1.3 47 -2.5 0 0.0 46 -0.7 10 41
44 A 104 VAL V H H > 3 TS+ 0 0 -18.7 -62.5 -177.3 39.2 128.5 48.6 0 0.0 48 -2.5 0 0.0 0 0.0 11 40
45 A 105 GLU E H H > 3 TS+ 0 0 -66.7 -47.5 -179.3 47.9 116.3 19.2 0 0.0 49 -3.2 0 0.0 0 0.0 7 33
46 A 106 ALA A H H > < TS+ 0 0 -60.8 -42.6 179.8 45.8 116.6 23.9 43 -0.7 50 -1.6 0 0.0 0 0.0 11 36
47 A 107 CYS C H H X TS+ 0 0 -66.7 -43.2 178.5 51.1 111.5 24.7 43 -2.5 51 -2.8 0 0.0 0 0.0 14 53
48 A 108 LYS K H H X TS+ 0 0 -58.8 -44.8 -179.6 52.8 108.8 21.9 44 -2.5 52 -2.9 0 0.0 0 0.0 11 47
49 A 109 ALA A H H X TS+ 0 0 -59.9 -35.0 178.9 51.1 108.1 31.1 45 -3.2 53 -1.6 0 0.0 0 0.0 8 39
50 A 110 ALA A H H X > TS+ 0 0 -65.4 -55.6 -178.7 48.4 110.3 6.1 46 -1.6 54 -1.8 0 0.0 53 -0.6 12 50
51 A 111 VAL V H H X 3 TS+ 0 0 -51.6 -49.3 -179.8 50.6 110.0 27.4 47 -2.8 55 -2.4 0 0.0 0 0.0 13 55
52 A 112 HIS H H H X 3 TS+ 0 0 -59.6 -35.4 179.9 55.8 107.1 28.3 48 -2.9 56 -2.0 0 0.0 0 0.0 10 41
53 A 113 ASN N H H < < TS+ 0 0 -61.9 -42.1 -179.7 44.3 111.1 25.3 49 -1.6 0 0.0 50 -0.6 0 0.0 9 39
54 A 114 LEU L H H < > TS+ 0 0 -72.8 -36.9 179.7 58.5 105.8 32.9 50 -1.8 57 -0.8 0 0.0 0 0.0 12 43
55 A 115 LEU L H H < > TS+ 0 0 -59.6 -39.0 179.6 48.8 108.1 18.7 51 -2.4 58 -1.2 0 0.0 0 0.0 10 37
56 A 116 ALA A T h < 3 TS+ 0 0 -70.9 -16.9 -179.4 68.3 99.3 46.9 52 -2.0 0 0.0 0 0.0 0 0.0 7 27
57 A 117 GLN Q T T < TS- 0 0 -88.3 20.1 -178.6 -115.9 114.7 82.8 54 -0.8 59 -1.8 0 0.0 0 0.0 6 29
58 A 118 ARG R t < T + 0 0 80.6 -81.0 178.3 177.8 51.2 130.2 55 -1.2 0 0.0 0 0.0 0 0.0 7 31
59 A 119 VAL V - 0 0 49.3 122.9 -179.5 -147.6 31.6 34.7 57 -1.8 0 0.0 0 0.0 0 0.0 13 40
60 A 120 SER S S S S- 0 0 -85.7 -29.7 -179.8 -10.9 79.8 39.9 3 -3.3 0 0.0 0 0.0 0 0.0 11 46
61 A 121 GLY G E E Ab - 4 0 -164.3 160.7 -178.7 -130.1 66.7 165.1 3 -0.9 5 -3.2 0 0.0 0 0.0 13 59
62 A 122 LEU L E E Abc - 5 85 -125.5 144.3 175.3 -157.3 2.3 160.2 84 -2.7 86 -2.4 0 0.0 64 -0.5 16 72
63 A 123 ILE I E E Abc - 6 86 -116.1 118.3 -178.1 -156.0 16.2 169.9 5 -2.4 7 -2.7 0 0.0 65 -0.9 15 80
64 A 124 ILE I E E Abc + 7 87 -100.0 96.2 -177.7 173.7 18.3 146.5 86 -3.7 88 -2.3 62 -0.5 89 -0.7 12 80
65 A 125 ASN N E E Ab* + 8 0 -96.0 42.2 -177.9 109.8 45.3 94.3 7 -2.4 9 -0.8 63 -0.9 0 0.0 12 76
66 A 126 TYR Y E E A * S- 0 0 -120.7 147.7 179.6 -100.9 74.9 143.6 0 0.0 89 -0.5 0 0.0 0 0.0 12 71
67 A 127 PRO P E E A c + 0 89 -69.0 122.8 179.4 165.6 46.5 124.9 0 0.0 0 0.0 0 0.0 0 0.0 12 64
68 A 128 LEU L e - 0 0 -145.1 133.0 178.0 -134.1 32.1 174.3 89 -1.5 0 0.0 0 0.0 0 0.0 13 57
69 A 129 ASP D h > T - 0 0 -72.7 170.2 -178.7 -87.8 51.0 112.2 0 0.0 73 -3.0 0 0.0 0 0.0 10 42
70 A 130 ASP D H H > TS+ 0 0 -44.9 -51.7 -177.3 46.0 129.0 26.9 0 0.0 74 -2.3 0 0.0 0 0.0 9 38
71 A 131 GLN Q H H > TS+ 0 0 -64.2 -40.6 -179.5 45.6 114.3 29.2 0 0.0 75 -1.7 0 0.0 0 0.0 7 30
72 A 132 ASP D H H > TS+ 0 0 -72.1 -32.3 179.9 55.8 110.4 31.3 0 0.0 76 -3.0 0 0.0 0 0.0 10 44
73 A 133 ALA A H H X TS+ 0 0 -62.3 -49.0 179.6 43.1 111.2 18.4 69 -3.0 77 -2.7 0 0.0 0 0.0 14 55
74 A 134 ILE I H H X TS+ 0 0 -65.7 -35.9 178.9 51.9 113.7 35.7 70 -2.3 78 -2.3 0 0.0 0 0.0 11 42
75 A 135 ALA A H H X TS+ 0 0 -64.4 -50.1 -179.5 47.6 111.3 14.7 71 -1.7 79 -1.3 0 0.0 0 0.0 10 35
76 A 136 VAL V H H X > TS+ 0 0 -57.2 -49.1 177.8 48.8 111.8 25.1 72 -3.0 80 -0.9 0 0.0 79 -0.5 12 54
77 A 137 GLU E H H < > TS+ 0 0 -56.8 -51.3 179.7 52.2 109.6 16.1 73 -2.7 80 -1.9 0 0.0 0 0.0 10 56
78 A 138 ALA A H H < > TS+ 0 0 -56.6 -25.2 178.8 56.8 105.8 42.7 74 -2.3 81 -0.7 0 0.0 0 0.0 8 35
79 A 139 ALA A H H < < TS+ 0 0 -78.3 -21.5 -179.6 77.1 88.2 43.6 75 -1.3 0 0.0 76 -0.5 0 0.0 9 39
80 A 140 CYS C T h < X TS- 0 0 -66.8 -6.8 177.9 -145.2 91.3 59.7 77 -1.9 83 -1.1 76 -0.9 0 0.0 12 48
81 A 141 THR T T T < T - 0 0 37.7 87.5 178.9 -43.6 60.8 30.6 78 -0.7 83 -2.7 0 0.0 0 0.0 6 34
82 A 142 ASN N T T 3 TS+ 0 0 58.8 -37.6 -179.8 120.0 104.9 94.4 0 0.0 0 0.0 0 0.0 0 0.0 5 33
83 A 143 VAL V S t < TS- 0 0 -58.6 126.5 180.0 -99.7 79.1 109.8 81 -2.7 0 0.0 80 -1.1 0 0.0 11 44
84 A 144 PRO P e - 0 0 -52.2 134.3 179.8 -170.3 46.5 103.2 0 0.0 62 -2.7 0 0.0 0 0.0 11 53
85 A 145 ALA A E E Ac - 62 0 -131.0 139.9 179.2 -161.7 11.5 170.5 0 0.0 0 0.0 0 0.0 0 0.0 12 67
86 A 146 LEU L E E Ac - 63 0 -126.9 124.6 -179.9 -150.5 8.5 169.4 62 -2.4 64 -3.7 0 0.0 0 0.0 13 74
87 A 147 PHE F E E Aca + 64 98 -96.3 130.0 -179.9 174.0 17.5 143.8 97 -2.3 99 -1.3 0 0.0 0 0.0 14 76
88 A 148 LEU L E E A* S+ 0 0 -108.5 -11.0 -178.5 53.6 74.9 59.4 64 -2.3 0 0.0 0 0.0 0 0.0 11 74
89 A 149 ASP D E E Ac S+ 67 0 -124.6 57.3 179.8 99.6 87.8 115.2 64 -0.7 68 -1.5 66 -0.5 0 0.0 12 70
90 A 150 VAL V S S S- 0 0 -125.7 -172.7 177.7 -80.2 79.2 125.0 0 0.0 0 0.0 0 0.0 0 0.0 15 57
91 A 151 SER S t > T - 0 0 -92.8 131.6 179.6 -126.8 37.8 147.0 0 0.0 94 -2.5 0 0.0 0 0.0 11 47
92 A 152 ASP D T T 3 TS+ 0 0 -55.8 -6.4 -180.0 62.1 109.4 53.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
93 A 153 GLN Q T T 3 TS+ 0 0 -105.6 17.2 178.5 112.2 74.6 83.3 0 0.0 0 0.0 0 0.0 0 0.0 5 36
94 A 154 THR T S t < TS- 0 0 -97.3 128.2 -179.5 -124.3 74.0 148.2 91 -2.5 96 -2.5 0 0.0 0 0.0 9 38
95 A 155 PRO P S S S+ 0 0 -66.2 63.1 -179.5 94.2 79.2 113.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
96 A 156 ILE I S S S- 0 0 -148.5 161.3 -179.8 -85.6 90.5 158.7 94 -2.5 98 -0.6 0 0.0 0 0.0 12 49
97 A 157 ASN N + 0 0 -77.8 115.7 -179.3 148.3 67.4 129.2 0 0.0 87 -2.3 0 0.0 0 0.0 11 56
98 A 158 SER S E E Bda - 256 87 -143.0 173.2 179.1 -150.7 43.8 152.5 255 -1.5 257 -1.8 96 -0.6 0 0.0 12 59
99 A 159 ILE I E E Bd + 257 0 -147.3 92.0 -179.8 166.2 30.4 143.3 87 -1.3 0 0.0 0 0.0 0 0.0 15 56
100 A 160 ILE I E E Bd - 258 0 -112.5 152.3 179.2 -114.9 35.5 146.1 257 -0.7 259 -2.5 0 0.0 0 0.0 13 62
101 A 161 PHE F E E Bd - 259 0 -74.6 168.5 179.8 -88.0 45.2 109.4 0 0.0 103 -0.9 0 0.0 0 0.0 9 58
102 A 162 SER S h > T + 0 0 -88.1 108.5 177.9 179.5 38.7 134.5 259 -2.0 106 -1.8 0 0.0 0 0.0 10 46
103 A 163 HIS H H H > TS+ 0 0 -73.6 -25.9 179.8 65.1 80.9 43.6 101 -0.9 107 -2.3 0 0.0 0 0.0 11 56
104 A 164 GLU E H H > TS+ 0 0 -62.9 -41.1 179.9 43.5 107.2 20.7 0 0.0 108 -2.0 0 0.0 0 0.0 8 43
105 A 165 ASP D H H > TS+ 0 0 -69.5 -46.6 179.2 51.1 112.3 20.9 0 0.0 109 -3.0 0 0.0 0 0.0 10 42
106 A 166 GLY G H H X TS+ 0 0 -56.9 -53.6 -179.6 40.5 115.5 18.3 102 -1.8 110 -2.0 0 0.0 0 0.0 14 53
107 A 167 THR T H H X TS+ 0 0 -64.2 -41.5 178.1 47.4 117.8 26.0 103 -2.3 111 -2.4 0 0.0 0 0.0 13 58
108 A 168 ARG R H H X TS+ 0 0 -61.2 -57.4 179.3 48.3 113.7 10.1 104 -2.0 112 -2.4 0 0.0 0 0.0 11 46
109 A 169 LEU L H H X TS+ 0 0 -50.9 -38.2 -177.9 50.9 113.3 32.6 105 -3.0 113 -1.5 0 0.0 0 0.0 11 48
110 A 170 GLY G H H X TS+ 0 0 -68.2 -55.8 -179.4 39.6 112.4 15.4 106 -2.0 114 -1.6 0 0.0 0 0.0 13 68
111 A 171 VAL V H H X TS+ 0 0 -65.3 -33.6 -179.6 55.7 114.0 37.1 107 -2.4 115 -1.2 0 0.0 0 0.0 12 62
112 A 172 GLU E H H X TS+ 0 0 -66.6 -40.2 -179.7 52.3 105.4 23.7 108 -2.4 116 -2.9 0 0.0 0 0.0 9 49
113 A 173 HIS H H H X TS+ 0 0 -62.5 -43.3 -179.9 47.7 110.3 24.2 109 -1.5 117 -1.4 0 0.0 0 0.0 8 49
114 A 174 LEU L H H < >TS+ 0 0 -71.7 -26.0 179.1 45.4 114.5 43.3 110 -1.6 119 -2.4 0 0.0 0 0.0 11 59
115 A 175 VAL V H H < >5TS+ 0 0 -84.1 -39.2 178.2 57.0 106.8 29.3 111 -1.2 118 -2.0 0 0.0 0 0.0 9 43
116 A 176 ALA A H H < 35TS+ 0 0 -55.1 -37.3 178.9 51.7 106.9 29.0 112 -2.9 0 0.0 0 0.0 0 0.0 7 32
117 A 177 LEU L T h < 35TS- 0 0 -72.6 -16.4 177.1 -111.3 125.5 57.2 113 -1.4 0 0.0 0 0.0 0 0.0 9 39
118 A 178 GLY G T T <5T + 0 0 98.8 11.5 -178.4 162.5 57.3 57.5 115 -2.0 0 0.0 0 0.0 0 0.0 8 34
119 A 179 HIS H t T - 0 0 -53.9 137.6 -179.5 -136.4 51.3 103.8 0 0.0 131 -1.3 0 0.0 0 0.0 11 46
129 A 189 LEU L T T 3 TS+ 0 0 -80.9 7.3 176.7 74.0 100.8 71.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
130 A 190 SER S T T 3 TS+ 0 0 -88.8 -10.2 -179.1 90.0 82.8 55.8 0 0.0 132 -0.6 0 0.0 0 0.0 7 38
131 A 191 SER S h > < T - 0 0 -93.2 121.5 178.1 -154.7 68.3 140.1 128 -1.3 135 -3.1 0 0.0 0 0.0 11 52
132 A 192 VAL V H H > TS+ 0 0 -58.2 -40.2 179.3 48.1 101.9 29.8 130 -0.6 136 -3.0 0 0.0 0 0.0 13 50
133 A 193 SER S H H > TS+ 0 0 -68.3 -38.7 179.4 50.5 111.0 25.4 0 0.0 137 -2.4 0 0.0 0 0.0 11 60
134 A 194 ALA A H H > TS+ 0 0 -65.1 -42.8 179.1 42.9 115.3 21.6 0 0.0 138 -1.9 0 0.0 0 0.0 13 56
135 A 195 ARG R H H X TS+ 0 0 -68.5 -45.9 178.7 53.6 112.0 21.3 131 -3.1 139 -2.6 0 0.0 0 0.0 13 45
136 A 196 LEU L H H X TS+ 0 0 -53.5 -47.5 -179.8 46.3 111.1 24.0 132 -3.0 140 -2.3 0 0.0 0 0.0 10 49
137 A 197 ARG R H H X TS+ 0 0 -63.7 -43.9 -178.9 50.4 111.6 22.0 133 -2.4 141 -2.9 0 0.0 0 0.0 14 61
138 A 198 LEU L H H X TS+ 0 0 -61.5 -40.8 179.8 46.9 113.1 28.7 134 -1.9 142 -2.0 0 0.0 0 0.0 12 53
139 A 199 ALA A H H X TS+ 0 0 -67.1 -37.9 179.7 53.0 110.8 30.4 135 -2.6 143 -2.2 0 0.0 0 0.0 8 44
140 A 200 GLY G H H X TS+ 0 0 -63.3 -46.4 179.2 51.0 106.6 21.7 136 -2.3 144 -1.8 0 0.0 0 0.0 12 47
141 A 201 TRP W H H X TS+ 0 0 -56.2 -44.2 178.3 49.9 112.4 19.3 137 -2.9 145 -2.0 0 0.0 0 0.0 12 57
142 A 202 HIS H H H X TS+ 0 0 -64.4 -37.2 178.1 51.7 107.7 36.2 138 -2.0 146 -1.9 0 0.0 0 0.0 9 45
143 A 203 LYS K H H X TS+ 0 0 -64.8 -62.3 179.9 30.8 121.3 3.3 139 -2.2 147 -2.6 0 0.0 0 0.0 8 31
144 A 204 TYR Y H H X TS+ 0 0 -69.2 -20.6 179.4 57.9 118.5 43.3 140 -1.8 148 -0.8 0 0.0 0 0.0 12 36
145 A 205 LEU L H H < >TS+ 0 0 -73.0 -50.8 179.1 33.3 115.5 19.7 141 -2.0 150 -1.6 0 0.0 0 0.0 12 46
146 A 206 THR T H H < >5TS+ 0 0 -72.3 -35.0 176.8 63.2 112.6 33.1 142 -1.9 149 -2.7 0 0.0 0 0.0 9 31
147 A 207 ARG R H H < 35TS+ 0 0 -55.7 -31.6 179.2 48.7 104.6 32.7 143 -2.6 0 0.0 0 0.0 0 0.0 8 27
148 A 208 ASN N T h < 35TS- 0 0 -95.2 21.4 179.4 -116.6 117.9 85.3 144 -0.8 0 0.0 0 0.0 0 0.0 6 29
149 A 209 GLN Q T T <5TS+ 0 0 61.1 -3.4 -178.8 129.7 75.4 66.7 146 -2.7 0 0.0 0 0.0 0 0.0 6 23
150 A 210 ILE I t > TS- 0 0 -104.3 154.9 178.7 -122.2 75.6 134.5 0 0.0 165 -1.2 0 0.0 164 -1.0 11 49
162 A 222 ALA A H H > 3 TS+ 0 0 -57.0 -41.4 -178.7 57.1 109.6 30.8 0 0.0 166 -2.2 0 0.0 0 0.0 12 45
163 A 223 MET M H H > 3 TS+ 0 0 -65.3 -26.1 178.9 49.5 106.7 40.1 0 0.0 167 -2.3 0 0.0 0 0.0 8 37
164 A 224 SER S H H > < TS+ 0 0 -83.8 -28.1 176.7 53.3 107.4 46.6 161 -1.0 168 -2.4 0 0.0 0 0.0 12 40
165 A 225 GLY G H H X TS+ 0 0 -69.5 -43.9 178.8 46.1 112.5 22.2 161 -1.2 169 -2.6 0 0.0 0 0.0 18 50
166 A 226 PHE F H H X TS+ 0 0 -57.7 -56.8 179.1 50.1 113.1 12.1 162 -2.2 170 -3.2 0 0.0 0 0.0 15 49
167 A 227 GLN Q H H X TS+ 0 0 -47.5 -58.4 -178.7 43.6 112.9 22.2 163 -2.3 171 -2.4 0 0.0 0 0.0 12 39
168 A 228 GLN Q H H X TS+ 0 0 -58.8 -43.1 179.8 47.6 116.9 24.3 164 -2.4 172 -2.6 0 0.0 0 0.0 13 49
169 A 229 THR T H H X TS+ 0 0 -65.9 -44.1 178.7 50.6 109.5 26.6 165 -2.6 173 -2.7 0 0.0 0 0.0 12 63
170 A 230 MET M H H X TS+ 0 0 -60.2 -37.1 -179.8 50.1 112.9 23.1 166 -3.2 174 -2.8 0 0.0 0 0.0 11 43
171 A 231 GLN Q H H X TS+ 0 0 -63.6 -50.9 -180.0 46.9 111.6 19.8 167 -2.4 175 -1.6 0 0.0 0 0.0 8 35
172 A 232 MET M H H < >>TS+ 0 0 -54.6 -62.3 -179.9 41.6 116.7 11.8 168 -2.6 177 -1.1 0 0.0 175 -1.1 11 44
173 A 233 LEU L H H < >5TS+ 0 0 -52.2 -48.2 -179.1 55.6 113.3 21.9 169 -2.7 176 -2.2 0 0.0 0 0.0 9 44
174 A 234 ASN N H H < 35TS+ 0 0 -57.0 -30.0 -179.8 57.4 101.4 41.6 170 -2.8 0 0.0 0 0.0 0 0.0 7 27
175 A 235 GLU E T h < <5TS- 0 0 -81.7 -3.2 179.1 -103.0 124.5 61.0 171 -1.6 0 0.0 172 -1.1 0 0.0 6 20
176 A 236 GLY G T T <5TS+ 0 0 104.0 -20.1 -179.2 127.3 84.8 83.4 173 -2.2 0 0.0 0 0.0 0 0.0 6 23
177 A 237 ILE I t TS- 0 0 -159.2 171.5 -178.8 -102.5 74.5 162.3 0 0.0 190 -1.7 0 0.0 0 0.0 11 75
187 A 247 ASP D H H > TS+ 0 0 -72.5 -37.3 -179.7 62.4 110.4 31.4 213 -1.6 191 -3.0 0 0.0 0 0.0 15 69
188 A 248 GLN Q H H > TS+ 0 0 -55.8 -48.8 177.2 39.8 111.9 17.8 0 0.0 192 -1.6 0 0.0 0 0.0 11 62
189 A 249 MET M H H > TS+ 0 0 -62.4 -45.7 -179.3 61.0 109.5 18.9 0 0.0 193 -2.8 0 0.0 0 0.0 19 59
190 A 250 ALA A H H X TS+ 0 0 -47.1 -41.8 178.9 52.8 103.3 27.5 186 -1.7 194 -2.6 0 0.0 0 0.0 15 73
191 A 251 LEU L H H X TS+ 0 0 -59.5 -50.9 -179.9 46.7 109.5 20.2 187 -3.0 195 -1.4 0 0.0 0 0.0 12 64
192 A 252 GLY G H H X TS+ 0 0 -60.3 -39.3 178.8 51.3 111.5 29.7 188 -1.6 196 -2.2 0 0.0 0 0.0 16 58
193 A 253 ALA A H H X TS+ 0 0 -63.6 -42.9 179.1 49.5 110.8 22.6 189 -2.8 197 -2.5 0 0.0 0 0.0 15 72
194 A 254 MET M H H X TS+ 0 0 -66.0 -28.1 179.6 52.7 108.9 44.3 190 -2.6 198 -1.2 0 0.0 0 0.0 11 68
195 A 255 ARG R H H X TS+ 0 0 -72.5 -45.1 178.8 48.0 109.7 27.9 191 -1.4 199 -2.1 0 0.0 0 0.0 9 49
196 A 256 ALA A H H X TS+ 0 0 -60.7 -46.2 179.9 56.3 107.4 22.2 192 -2.2 200 -1.4 0 0.0 0 0.0 12 51
197 A 257 ILE I H H < >TS+ 0 0 -56.4 -41.8 178.9 38.9 114.0 24.7 193 -2.5 202 -1.0 0 0.0 0 0.0 14 53
198 A 258 THR T H H < >5TS+ 0 0 -75.0 -33.9 -179.9 64.9 106.9 36.6 194 -1.2 201 -1.4 0 0.0 0 0.0 10 38
199 A 259 GLU E H H < 35TS+ 0 0 -58.1 -24.3 -178.5 50.0 104.3 39.4 195 -2.1 0 0.0 0 0.0 0 0.0 7 30
200 A 260 SER S T h < 35TS- 0 0 -110.5 37.1 178.8 -101.6 120.3 98.5 196 -1.4 0 0.0 0 0.0 0 0.0 6 31
201 A 261 GLY G T T <5TS+ 0 0 68.8 -20.3 -179.6 122.8 86.1 78.5 198 -1.4 0 0.0 0 0.0 0 0.0 6 24
202 A 262 LEU L t >T - 0 0 -123.9 141.5 -178.7 -119.6 15.7 162.8 0 0.0 208 -2.5 0 0.0 207 -1.0 9 44
204 A 264 VAL V B B 4 b 5TS- 208 0 -82.9 129.6 -178.1 -0.5 94.1 129.4 0 0.0 206 -1.4 0 0.0 0 0.0 14 54
205 A 265 GLY G T T 4 5TS+ 0 0 96.3 -78.6 -179.8 54.5 133.8 137.0 208 -1.5 0 0.0 0 0.0 0 0.0 13 57
206 A 266 ALA A T T 4 5TS+ 0 0 -51.3 -57.6 179.4 10.5 129.7 27.5 204 -1.4 0 0.0 0 0.0 0 0.0 13 45
207 A 267 ASP D T T < 5TS+ 0 0 -87.2 -78.9 -179.8 15.0 143.3 26.2 203 -1.0 209 -0.7 0 0.0 0 0.0 10 46
208 A 268 ILE I B B b T - 0 0 -76.4 146.8 -179.7 -88.1 35.8 122.2 0 0.0 219 -2.6 0 0.0 0 0.0 10 52
217 A 277 GLU E G G > TS+ 0 0 -16.2 -64.1 -176.6 47.4 123.5 43.1 0 0.0 220 -0.9 0 0.0 0 0.0 5 40
218 A 278 ASP D G G > TS+ 0 0 -66.0 -19.0 -177.9 88.9 87.4 47.7 0 0.0 221 -2.5 0 0.0 0 0.0 7 38
219 A 279 SER S G G X TS+ 0 0 -52.4 -36.8 178.8 57.6 80.4 36.2 216 -2.6 226 -1.8 0 0.0 222 -1.3 10 47
220 A 280 SER S G G < TS+ 0 0 -77.0 6.1 179.6 51.0 108.2 65.6 217 -0.9 0 0.0 0 0.0 0 0.0 9 35
221 A 281 CYS C G G < TS+ 0 0 -117.7 -2.8 179.0 114.3 80.3 69.5 218 -2.5 0 0.0 0 0.0 0 0.0 8 26
222 A 282 TYR Y S g < TS- 0 0 -63.7 156.7 179.9 -94.0 81.2 108.4 219 -1.3 0 0.0 0 0.0 0 0.0 9 42
223 A 283 ILE I S S S+ 0 0 -119.3 106.1 -0.5 23.5 122.3 159.6 0 0.0 0 0.0 0 0.0 0 0.0 5 39
224 A 284 PRO P S S S- 0 0 -78.9 158.6 179.4 -106.9 115.1 52.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
225 A 285 PRO P - 0 0 -47.6 142.7 -176.4 -110.7 42.8 96.9 0 0.0 0 0.0 0 0.0 0 0.0 11 42
226 A 286 LEU L - 0 0 -92.9 130.8 176.5 -142.8 14.1 130.5 219 -1.8 0 0.0 0 0.0 0 0.0 18 56
227 A 287 THR T E E Ch + 211 0 -81.6 135.4 -174.2 153.5 45.0 138.2 210 -0.8 212 -2.8 0 0.0 0 0.0 14 59
228 A 288 THR T E E ChI - 212 264 -165.8 154.6 176.5 -98.8 54.2 173.0 264 -2.0 264 -2.8 0 0.0 230 -0.6 14 63
229 A 289 ILE I E E ChI - 213 263 -80.1 116.0 179.9 -139.0 45.2 134.0 212 -1.9 214 -3.0 0 0.0 231 -0.5 16 59
230 A 290 LYS K E E ChI - 214 262 -84.8 121.0 178.7 -167.4 16.1 137.3 262 -1.7 262 -1.4 228 -0.6 232 -0.5 12 52
231 A 291 GLN Q e - 0 0 -104.9 120.5 -177.9 -130.6 24.4 159.0 214 -1.3 233 -1.3 229 -0.5 0 0.0 11 57
232 A 292 ASP D h > T + 0 0 -81.3 97.2 179.8 178.9 27.7 127.6 230 -0.5 236 -2.1 0 0.0 0 0.0 8 46
233 A 293 PHE F H H > TS+ 0 0 -73.9 -7.5 176.3 56.8 79.8 61.3 231 -1.3 237 -0.8 0 0.0 0 0.0 10 47
234 A 294 ARG R H H > TS+ 0 0 -83.9 -44.5 179.2 44.9 110.3 28.9 0 0.0 238 -2.9 0 0.0 0 0.0 9 41
235 A 295 LEU L H H > TS+ 0 0 -60.1 -38.5 179.7 52.1 113.8 26.8 0 0.0 239 -2.4 0 0.0 0 0.0 8 41
236 A 296 LEU L H H X TS+ 0 0 -69.7 -31.4 179.0 45.9 111.3 36.0 232 -2.1 240 -0.8 0 0.0 0 0.0 13 53
237 A 297 GLY G H H X TS+ 0 0 -79.1 -43.5 179.9 39.3 118.3 23.3 233 -0.8 241 -2.0 0 0.0 0 0.0 15 55
238 A 298 GLN Q H H X TS+ 0 0 -74.7 -38.1 179.2 51.7 114.6 30.4 234 -2.9 242 -2.5 0 0.0 0 0.0 13 47
239 A 299 THR T H H X TS+ 0 0 -66.5 -31.2 -179.3 46.7 114.3 28.4 235 -2.4 243 -2.0 0 0.0 0 0.0 9 51
240 A 300 SER S H H X TS+ 0 0 -77.1 -42.4 179.2 43.3 114.4 26.8 236 -0.8 244 -2.1 0 0.0 0 0.0 12 64
241 A 301 VAL V H H X TS+ 0 0 -67.4 -49.1 -180.0 48.4 116.2 18.1 237 -2.0 245 -2.5 0 0.0 0 0.0 12 60
242 A 302 ASP D H H X TS+ 0 0 -53.8 -54.6 -179.5 47.1 114.0 10.1 238 -2.5 246 -2.6 0 0.0 0 0.0 9 52
243 A 303 ARG R H H X TS+ 0 0 -56.9 -36.6 -179.2 52.4 110.5 34.3 239 -2.0 247 -3.6 0 0.0 0 0.0 9 49
244 A 304 LEU L H H X TS+ 0 0 -68.4 -43.9 179.6 45.4 110.8 23.9 240 -2.1 248 -2.6 0 0.0 0 0.0 14 57
245 A 305 LEU L H H X TS+ 0 0 -65.1 -38.3 178.5 45.2 118.4 22.2 241 -2.5 249 -2.5 0 0.0 0 0.0 9 47
246 A 306 GLN Q H H < >TS+ 0 0 -64.9 -54.7 178.6 49.0 112.5 17.0 242 -2.6 251 -1.5 0 0.0 0 0.0 10 36
247 A 307 LEU L H H < >5TS+ 0 0 -51.0 -39.7 179.3 54.6 110.3 27.2 243 -3.6 250 -1.3 0 0.0 0 0.0 12 37
248 A 308 SER S H H < 35TS+ 0 0 -60.1 -52.4 179.8 62.0 97.6 15.1 244 -2.6 0 0.0 0 0.0 0 0.0 11 37
249 A 309 GLN Q T h < 35TS- 0 0 -50.8 -12.8 -179.5 -110.5 119.1 56.3 245 -2.5 0 0.0 0 0.0 0 0.0 6 26
250 A 310 GLY G T T <5TS+ 0 0 90.9 2.4 178.7 145.1 72.3 58.6 247 -1.3 252 -0.5 0 0.0 0 0.0 6 21
251 A 311 GLN Q t T - 0 0 80.2 100.4 179.6 -145.5 33.0 23.7 0 0.0 282 -2.6 0 0.0 0 0.0 6 22
279 A 339 PRO P H H > TS+ 0 0 -55.7 -40.9 178.6 48.9 106.1 26.0 0 0.0 283 -2.8 0 0.0 0 0.0 6 16
280 A 340 ARG R H H > TS+ 0 0 -67.5 -33.1 179.2 55.3 109.8 29.5 0 0.0 284 -2.7 0 0.0 0 0.0 6 21
281 A 341 ALA A H H > TS+ 0 0 -60.0 -61.9 179.2 39.7 111.8 8.1 0 0.0 285 -2.5 0 0.0 0 0.0 8 24
282 A 342 LEU L H H X TS+ 0 0 -53.3 -44.6 179.6 52.6 117.1 22.1 278 -2.6 286 -3.1 0 0.0 0 0.0 9 15
283 A 343 ALA A H H X TS+ 0 0 -60.0 -36.8 179.6 51.3 107.4 30.8 279 -2.8 287 -2.5 0 0.0 0 0.0 8 15
284 A 344 ASP D H H X TS+ 0 0 -68.1 -38.6 178.8 49.6 110.0 27.2 280 -2.7 288 -2.1 0 0.0 0 0.0 8 18
285 A 345 SER S H H X TS+ 0 0 -64.2 -46.3 -179.2 51.8 109.5 18.4 281 -2.5 289 -3.3 0 0.0 0 0.0 8 17
286 A 346 LEU L H H X TS+ 0 0 -56.7 -45.3 -179.8 51.7 108.2 20.4 282 -3.1 290 -3.8 0 0.0 0 0.0 8 17
287 A 347 MET M H H < TS+ 0 0 -57.9 -45.1 178.7 40.7 115.1 27.5 283 -2.5 0 0.0 0 0.0 0 0.0 8 16
288 A 348 GLN Q H H X > TS+ 0 0 -72.0 -33.9 -179.9 50.5 116.7 32.1 284 -2.1 292 -1.1 0 0.0 291 -0.5 8 16
289 A 349 LEU L H H X > TS+ 0 0 -67.7 -44.6 -179.6 56.6 105.6 18.7 285 -3.3 293 -1.8 0 0.0 292 -0.6 8 16
290 A 350 ALA A H H X 3 TS+ 0 0 -62.1 -17.3 179.0 58.6 101.8 53.4 286 -3.8 294 -1.1 0 0.0 0 0.0 8 15
291 A 351 ARG R H H > < TS+ 0 0 -83.4 -39.5 179.2 47.7 103.1 30.4 288 -0.5 295 -2.0 0 0.0 0 0.0 8 13
292 A 352 GLN Q H H X < TS+ 0 0 -66.2 -36.4 179.2 54.5 112.0 26.0 288 -1.1 296 -1.0 289 -0.6 0 0.0 8 12
293 A 353 VAL V H H < TS+ 0 0 -62.8 -41.9 179.7 51.7 104.4 26.3 289 -1.8 0 0.0 0 0.0 0 0.0 7 11
294 A 354 SER S H H < TS+ 0 0 -61.6 -40.4 179.9 42.5 115.5 21.5 290 -1.1 0 0.0 0 0.0 0 0.0 6 10
295 A 355 ARG R H H < T 0 0 -80.1 -13.3 177.9 999.9 999.9 55.5 291 -2.0 0 0.0 0 0.0 0 0.0 5 9
296 A 356 LEU L h < T 0 0 -52.2 999.9 999.9 999.9 999.9 104.7 292 -1.0 0 0.0 0 0.0 0 0.0 4 8
1tlfA.pdb
1TLF TRANSCRIPTION REGULATION TRYPTIC CORE FRAGMENT OF THE LACTOSE REPRESSOR OF (ESCHERICHIA COLI)
author author
Kabs/Sand EEEEEES TTSHHHHHHHHHHHHHHHHTT EEEEEE TT HHHHHHHHHHHHTT SEEEEEEE HHHHHHHHHHTTTS EEEEES TTSSS EEE Kabs/Sand
chirality -----+---++-++++++++++++++++-+---------+-++++++++++++++-+-----++-+--++++++++++--+----+++--++-+-+-+- chirality
bends S SSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSS S S SSSSSSSSSSS SS SSS SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33X33< >33<>>3<< >>>33< 3-turns
bridge-2 bbbbb ccc**c a a bridge-2
bridge-1 aaaaaa aaaaaa bbbbb ccc*c ddd bridge-1
sheets AAAAAA AAAAAA AAAAAAA AAAAA BBB sheets
4-turns >>>>XXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary eEEEEEEetTThHHHHHHHHHHHHHHHHhTtEEEEEEetTThHHHHHHHHHHHHhTt SEEEEEEEehHHHHHHHHHHhTTteEEEEEStTTtSS EEE summary
sequence SLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGVEACKAAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVSDQTPINSII sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand E HHHHHHHHHHHHHHTT EEEEE TT HHHHHHHHHHHHHHHHTT SEEEE SSHHHHHHHHHHHHHTT SEEEESSHHHHHHHHHHHHHT Kabs/Sand
chirality -+++++++++++++++-++++-------++-++++++++++++++++-+---+-+-+--+-+++++++++++++-++--+------+++++++++++++- chirality
bends SSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >555 5-turns
3-turns >33< >33< >33< >33< >>3<< >33 3-turns
bridge-2 ffff ggg bridge-2
bridge-1 d eeee ffff eeee bridge-1
sheets B CCCCC CCCC CCCC sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary EhHHHHHHHHHHHHHHhTt eEEEEE tTThHHHHHHHHHHHHHHHHhTt SEEEEe ShHHHHHHHHHHHHHhTt eEEEEehHHHHHHHHHHHHHh summary
sequence FSHEDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQPIAEREGDWSAMSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITES sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand T BTTTBEEEEEE GGGGGSSS EEEE HHHHHHHHHHHHHHHHTT SEEEE EEE SS SS S HHHHHHHHHHHHHHHHH Kabs/Sand
chirality +---+++-----+---+++++-+---+----+++++++++++++++++-+-+++----------+-+++--+---++-++++++++++++++++ chirality
bends S SSSSS SS SSSSSSSS SSSSSSSSSSSSSSSSSS S SS SS S SSSSSSSSSSSSSSSS bends
turns TTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns 5<>5555< >5555< 5-turns
3-turns < >>>X<<< >33< >>3<< 3-turns
bridge-2 hhhh III bridge-2
bridge-1 b bggg hhhh dddd III bridge-1
sheets CCCCCC CCCC BBBB CCC sheets
4-turns >444< >>>>XXXXXXXXXX<<<< >>>>XXXXXX<<<< 4-turns
summary TttBTTTBEEEEEE gGGGGGgSS EEEEehHHHHHHHHHHHHHHHHhTt eEEEE EEE SS SS S hHHHHHHHHHHHHHHHHHh summary
sequence GLRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQTSVDRLLQLSQGQAVKGNQLLPVSLVKRKTTLAPNTQTASPRALADSLMQLARQVSRL sequence
210 220 230 240 250 260 270 280 290