Secondary structure calculation program - copyright by David Keith Smith, 1989
1bby-.pdb
1BBY TRANSCRIPTION REGULATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 69
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
1 175 ARG R t > T 0 0 999.9 -147.7 -179.8 999.9 999.9 999.9 0 0.0 4 -0.8 0 0.0 0 0.0 3 9
2 176 ALA A T h > 3 T + 0 0 -84.4 10.1 178.8 95.9 999.9 71.8 0 0.0 6 -2.4 0 0.0 0 0.0 5 19
3 177 ARG R H H > 3 TS+ 0 0 -70.0 -25.8 177.5 62.3 78.9 30.0 0 0.0 7 -2.7 0 0.0 0 0.0 6 20
4 178 ALA A H H > < TS+ 0 0 -61.1 -41.1 177.8 46.5 104.6 19.5 1 -0.8 8 -2.5 0 0.0 0 0.0 8 15
5 179 ASP D H H > TS+ 0 0 -65.8 -45.4 179.9 55.0 109.7 18.5 0 0.0 9 -4.5 0 0.0 0 0.0 7 27
6 180 LYS K H H X TS+ 0 0 -51.2 -63.9 -178.7 37.0 114.6 12.3 2 -2.4 10 -2.9 0 0.0 0 0.0 9 32
7 181 GLN Q H H X TS+ 0 0 -55.2 -50.5 179.8 44.1 123.6 15.3 3 -2.7 11 -1.6 0 0.0 0 0.0 8 29
8 182 HIS H H H X TS+ 0 0 -63.6 -34.1 -179.9 54.1 112.3 29.6 4 -2.5 12 -1.2 0 0.0 0 0.0 8 25
9 183 VAL V H H X TS+ 0 0 -70.8 -35.7 179.2 58.8 100.6 27.0 5 -4.5 13 -1.9 0 0.0 0 0.0 9 40
10 184 LEU L H H X TS+ 0 0 -59.4 -41.9 179.1 57.8 100.3 17.1 6 -2.9 14 -2.5 0 0.0 0 0.0 8 43
11 185 ASP D H H X TS+ 0 0 -52.9 -41.7 179.8 51.9 104.5 23.0 7 -1.6 15 -2.1 0 0.0 0 0.0 8 31
12 186 MET M H H X TS+ 0 0 -63.4 -38.7 -179.9 52.3 107.5 24.6 8 -1.2 16 -2.6 0 0.0 0 0.0 10 40
13 187 LEU L H H X TS+ 0 0 -64.1 -46.6 179.9 52.3 106.4 17.0 9 -1.9 17 -4.5 0 0.0 0 0.0 9 50
14 188 PHE F H H X TS+ 0 0 -56.3 -44.4 178.9 48.3 110.7 18.2 10 -2.5 18 -2.0 0 0.0 0 0.0 8 36
15 189 SER S H H X TS+ 0 0 -60.1 -47.2 179.2 43.8 116.2 15.1 11 -2.1 19 -0.9 0 0.0 0 0.0 8 25
16 190 ALA A H H X > TS+ 0 0 -61.1 -53.1 -179.5 44.0 117.6 12.8 12 -2.6 19 -1.4 0 0.0 20 -1.3 11 32
17 191 PHE F H H < 3 TS+ 0 0 -66.9 -16.9 179.3 69.4 102.4 43.7 13 -4.5 0 0.0 0 0.0 0 0.0 12 33
18 192 GLU E H H < 3 TS+ 0 0 -71.0 -25.2 -179.3 41.8 104.5 35.6 14 -2.0 0 0.0 0 0.0 0 0.0 7 22
19 193 LYS K H H < < TS+ 0 0 -91.6 -27.0 180.0 8.8 131.8 39.9 16 -1.4 0 0.0 15 -0.9 0 0.0 6 19
20 194 HIS H h < T - 0 0 -154.3 141.5 -178.7 -133.6 61.0 171.4 16 -1.3 0 0.0 0 0.0 0 0.0 7 20
21 195 GLN Q S S S+ 0 0 -67.0 -23.6 -177.5 52.3 92.9 40.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
22 196 TYR Y + 0 0 -120.0 147.2 177.8 170.3 56.5 155.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
23 197 TYR Y B B A - 59 0 -150.8 129.5 179.0 -143.2 21.1 163.8 59 -1.1 59 -2.6 0 0.0 0 0.0 12 41
24 198 ASN N h > > T - 0 0 -88.7 164.4 -179.0 -103.1 35.5 118.4 0 0.0 28 -1.9 0 0.0 27 -0.5 10 37
25 199 LEU L H H > 3 TS+ 0 0 -54.1 -41.7 -179.2 57.9 121.3 23.7 0 0.0 29 -2.2 0 0.0 0 0.0 10 41
26 200 LYS K H H > 3 TS+ 0 0 -58.0 -40.4 -178.6 46.7 106.8 26.7 0 0.0 30 -1.4 0 0.0 0 0.0 6 28
27 201 ASP D H H > < TS+ 0 0 -72.3 -33.5 -179.6 55.0 109.6 27.9 24 -0.5 31 -1.4 0 0.0 0 0.0 8 33
28 202 LEU L H H X TS+ 0 0 -67.3 -39.9 -179.2 52.9 104.1 25.0 24 -1.9 32 -1.4 0 0.0 0 0.0 11 45
29 203 VAL V H H < TS+ 0 0 -64.7 -38.7 179.2 56.7 103.8 21.7 25 -2.2 0 0.0 0 0.0 0 0.0 11 32
30 204 ASP D H H < TS+ 0 0 -56.6 -42.2 179.3 44.4 110.9 19.3 26 -1.4 0 0.0 0 0.0 0 0.0 7 20
31 205 ILE I H H < TS+ 0 0 -71.8 -23.3 -178.5 21.7 132.2 40.6 27 -1.4 0 0.0 0 0.0 0 0.0 8 31
32 206 THR T h < T - 0 0 -148.6 113.2 -179.7 -158.0 61.4 151.6 28 -1.4 0 0.0 0 0.0 0 0.0 7 33
33 207 LYS K + 0 0 -79.1 30.2 179.5 127.6 56.1 84.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
34 208 GLN Q S S S- 0 0 -87.0 145.1 -178.6 -78.5 77.4 129.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
35 209 PRO P h > > T - 0 0 -41.6 129.9 179.8 -133.3 36.1 93.6 0 0.0 39 -2.1 0 0.0 38 -0.7 7 23
36 210 VAL V H H > 3 TS+ 0 0 -56.6 -41.2 179.8 61.1 106.7 23.1 0 0.0 40 -4.3 0 0.0 0 0.0 8 31
37 211 VAL V H H > 3 TS+ 0 0 -53.9 -37.6 -179.8 47.4 106.5 24.0 0 0.0 41 -2.1 0 0.0 0 0.0 6 24
38 212 TYR Y H H > < TS+ 0 0 -70.4 -46.4 179.3 42.4 115.7 17.0 35 -0.7 42 -1.3 0 0.0 0 0.0 8 32
39 213 LEU L H H X TS+ 0 0 -64.9 -43.8 -179.1 54.6 112.9 20.3 35 -2.1 43 -3.0 0 0.0 0 0.0 9 44
40 214 LYS K H H X TS+ 0 0 -58.1 -44.0 -179.2 54.9 103.1 21.7 36 -4.3 44 -3.2 0 0.0 0 0.0 8 40
41 215 GLU E H H X TS+ 0 0 -60.1 -33.3 178.5 44.9 112.2 26.6 37 -2.1 45 -1.2 0 0.0 0 0.0 8 30
42 216 ILE I H H X >TS+ 0 0 -73.5 -47.5 179.8 45.3 115.9 17.6 38 -1.3 46 -2.0 0 0.0 47 -0.6 10 39
43 217 LEU L H H X 5TS+ 0 0 -64.5 -29.9 -179.1 60.7 107.7 33.4 39 -3.0 47 -1.5 0 0.0 0 0.0 12 49
44 218 LYS K H H < 5TS+ 0 0 -66.6 -37.4 -178.0 42.5 108.0 25.7 40 -3.2 0 0.0 0 0.0 0 0.0 8 32
45 219 GLU E H H < 5TS+ 0 0 -77.0 -43.2 -179.3 5.1 141.5 22.2 41 -1.2 0 0.0 0 0.0 0 0.0 6 28
46 220 ILE I H H < 5TS+ 0 0 -116.1 -12.2 -178.5 80.8 118.3 59.0 42 -2.0 62 -4.5 0 0.0 0 0.0 10 34
47 221 GLY G h < T - 0 0 -127.1 -166.6 -178.9 -53.0 45.4 123.3 0 0.0 55 -3.1 0 0.0 0 0.0 7 14
53 227 GLY G T T 3 TS+ 0 0 -35.6 -77.7 179.4 22.9 142.3 26.0 0 0.0 0 0.0 0 0.0 0 0.0 5 9
54 228 ILE I T T 3 TS- 0 0 -78.7 21.8 -179.8 -97.7 127.8 78.0 0 0.0 0 0.0 0 0.0 0 0.0 5 9
55 229 HIS H t < T - 0 0 64.0 55.0 179.5 -163.6 50.1 13.5 52 -3.1 57 -0.6 0 0.0 0 0.0 6 15
56 230 LYS K - 0 0 -73.1 116.6 -179.8 -136.8 14.0 125.0 0 0.0 58 -0.7 0 0.0 0 0.0 9 19
57 231 ASN N + 0 0 -75.6 115.0 179.3 170.5 33.8 128.2 55 -0.6 0 0.0 0 0.0 0 0.0 10 27
58 232 THR T B B B - 50 0 -129.9 138.3 -179.7 -160.3 16.6 169.6 50 -0.9 50 -0.7 56 -0.7 0 0.0 12 34
59 233 TRP W B B A - 23 0 -115.4 150.6 -179.7 -172.1 5.7 149.0 23 -2.6 23 -1.1 0 0.0 0 0.0 13 42
60 234 GLU E - 0 0 -142.5 134.4 179.0 -113.1 31.9 172.9 0 0.0 62 -0.7 0 0.0 0 0.0 12 42
61 235 LEU L - 0 0 -69.1 112.4 -179.9 -125.1 37.8 120.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
62 236 LYS K - 0 0 -59.0 112.0 179.8 -171.5 25.8 114.2 46 -4.5 0 0.0 60 -0.7 0 0.0 9 30
63 237 PRO P + 0 0 -85.8 -0.4 -177.9 102.2 60.0 64.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
64 238 GLU E S S S+ 0 0 -51.3 -47.8 -179.0 3.2 104.7 24.5 0 0.0 0 0.0 0 0.0 0 0.0 4 15
65 239 TYR Y S S S+ 0 0 -130.1 27.0 179.1 139.6 86.2 86.5 0 0.0 67 -1.4 0 0.0 0 0.0 5 15
66 240 ARG R + 0 0 -74.1 96.7 178.9 173.4 19.1 122.7 0 0.0 0 0.0 0 0.0 0 0.0 8 21
67 241 HIS H + 0 0 -76.2 -15.4 -179.1 72.2 65.6 46.1 65 -1.4 69 -0.6 0 0.0 0 0.0 4 14
68 242 TYR Y 0 0 -104.6 116.5 177.6 999.9 999.9 150.8 0 0.0 0 0.0 0 0.0 0 0.0 3 20
69 243 GLN Q 0 0 -149.5 999.9 999.9 999.9 999.9 97.8 67 -0.6 0 0.0 0 0.0 0 0.0 3 21
1bby-.pdb
1BBY TRANSCRIPTION REGULATION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand THHHHHHHHHHHHHHHHH S B HHHHHHH S HHHHHHHHHHH B TT BB SS Kabs/Sand
chirality ++++++++++++++++++-++--+++++++-+--+++++++++++------+---+-----+++++ chirality
bends SSSSSSSSSSSSSSSSS S SSSSSSS S SSSSSSSSSSS SS SS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A B BA bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXX<<<< >>>>X<<<< >>>>XXXXX<<<< 4-turns
summary thHHHHHHHHHHHHHHHHHhS BhHHHHHHHh ShHHHHHHHHHHHh B tTTt BB SS summary
sequence RARADKQHVLDMLFSAFEKHQYYNLKDLVDITKQPVVYLKEILKEIGVQNVKGIHKNTWELKPEYRHYQ sequence
10 20 30 40 50 60