Secondary structure calculation program - copyright by David Keith Smith, 1989
1ifyA.pdb
1IFY DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 49
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 156 THR T 0 0 999.9 136.1 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 8
2 A 157 LEU L - 0 0 -70.1 165.3 180.0 -136.6 999.9 101.7 0 0.0 0 0.0 0 0.0 0 0.0 3 10
3 A 158 VAL V - 0 0 -131.8 107.5 -180.0 -159.2 6.9 156.8 0 0.0 0 0.0 0 0.0 0 0.0 7 17
4 A 159 THR T - 0 0 -48.6 -42.6 179.9 -86.4 64.6 28.8 0 0.0 0 0.0 0 0.0 0 0.0 4 12
5 A 160 GLY G S h > TS+ 0 0 155.0 -20.8 -179.9 115.0 97.0 80.2 0 0.0 9 -2.0 0 0.0 0 0.0 6 23
6 A 161 SER S H H > > TS+ 0 0 -36.2 -79.0 -180.0 41.2 85.5 25.8 0 0.0 10 -1.7 0 0.0 9 -0.6 7 19
7 A 162 GLU E H H > 3 TS+ 0 0 -41.4 -36.8 179.9 64.1 111.0 35.0 0 0.0 11 -1.7 0 0.0 0 0.0 7 28
8 A 163 TYR Y H H > > TS+ 0 0 -53.0 -62.1 -179.5 38.8 105.7 14.8 0 0.0 12 -2.0 0 0.0 11 -1.1 11 36
9 A 164 GLU E H H X < TS+ 0 0 -63.9 -19.1 179.2 59.7 113.2 44.6 5 -2.0 13 -2.3 6 -0.6 0 0.0 10 32
10 A 165 THR T H H X 3 TS+ 0 0 -79.3 -25.1 177.9 51.3 103.0 39.5 6 -1.7 14 -1.8 0 0.0 0 0.0 8 32
11 A 166 MET M H H X < TS+ 0 0 -71.7 -47.9 178.9 48.8 110.6 21.3 7 -1.7 15 -2.2 8 -1.1 0 0.0 15 40
12 A 167 LEU L H H X TS+ 0 0 -54.3 -57.3 -179.0 49.0 110.8 18.3 8 -2.0 16 -2.0 0 0.0 0 0.0 15 38
13 A 168 THR T H H X TS+ 0 0 -55.9 -40.6 179.0 44.3 115.3 31.2 9 -2.3 17 -2.4 0 0.0 0 0.0 10 31
14 A 169 GLU E H H X TS+ 0 0 -66.7 -69.3 177.8 36.7 121.1 5.7 10 -1.8 18 -1.3 0 0.0 0 0.0 8 32
15 A 170 ILE I H H < TS+ 0 0 -52.2 -21.9 178.3 66.8 114.0 41.0 11 -2.2 0 0.0 0 0.0 0 0.0 15 34
16 A 171 MET M H H X > TS+ 0 0 -62.2 -69.1 178.1 51.5 92.8 1.8 12 -2.0 20 -2.0 0 0.0 19 -0.9 12 32
17 A 172 SER S H H < 3 TS+ 0 0 -37.6 -30.3 178.6 72.7 99.8 37.0 13 -2.4 19 -0.7 0 0.0 0 0.0 7 22
18 A 173 MET M T h < 3 TS- 0 0 -79.0 35.5 -179.9 -91.2 131.7 94.3 14 -1.3 0 0.0 0 0.0 0 0.0 6 27
19 A 174 GLY G T T 4 < TS+ 0 0 55.3 48.2 -179.6 123.1 93.7 22.3 16 -0.9 0 0.0 17 -0.7 0 0.0 6 25
20 A 175 TYR Y t < T - 0 0 -144.1 89.3 179.7 -135.8 58.0 135.0 16 -2.0 0 0.0 0 0.0 0 0.0 13 33
21 A 176 GLU E h > > T - 0 0 -39.4 151.0 -179.6 -104.2 32.0 85.7 0 0.0 25 -1.8 0 0.0 24 -0.7 10 29
22 A 177 ARG R H H > 3 TS+ 0 0 -50.3 -33.5 -176.7 54.1 120.8 38.9 0 0.0 26 -2.1 0 0.0 0 0.0 10 35
23 A 178 GLU E H H > 3 TS+ 0 0 -75.3 -36.7 -179.2 49.0 105.4 31.7 0 0.0 27 -2.0 0 0.0 0 0.0 9 34
24 A 179 ARG R H H > < TS+ 0 0 -70.0 -36.9 -178.9 38.6 119.8 29.5 21 -0.7 28 -0.6 0 0.0 0 0.0 9 41
25 A 180 VAL V H H X TS+ 0 0 -82.4 -38.1 178.2 49.6 116.3 30.9 21 -1.8 29 -1.3 0 0.0 0 0.0 18 43
26 A 181 VAL V H H X TS+ 0 0 -68.0 -39.3 176.5 45.4 114.6 24.1 22 -2.1 30 -2.1 0 0.0 0 0.0 14 43
27 A 182 ALA A H H X TS+ 0 0 -69.5 -28.3 176.6 54.4 110.8 33.5 23 -2.0 31 -1.2 0 0.0 0 0.0 8 38
28 A 183 ALA A H H < TS+ 0 0 -72.5 -25.7 177.6 54.3 104.6 36.9 24 -0.6 0 0.0 0 0.0 0 0.0 16 40
29 A 184 LEU L H H X >TS+ 0 0 -73.3 -37.4 177.1 52.7 103.9 28.4 25 -1.3 34 -1.9 0 0.0 33 -1.8 13 42
30 A 185 ARG R H H < 5TS+ 0 0 -63.9 -28.8 179.1 37.3 119.1 32.9 26 -2.1 0 0.0 0 0.0 0 0.0 8 32
31 A 186 ALA A T h < 5TS+ 0 0 -98.4 -6.0 179.9 50.1 118.5 62.0 27 -1.2 0 0.0 0 0.0 0 0.0 10 30
32 A 187 SER S T T 4 5TS- 0 0 -107.1 -8.9 -178.4 -110.5 113.8 61.7 0 0.0 0 0.0 0 0.0 0 0.0 11 32
33 A 188 TYR Y T T < 5TS- 0 0 86.3 13.2 179.8 -52.9 78.1 53.3 29 -1.8 0 0.0 0 0.0 0 0.0 6 27
34 A 189 ASN N S t TS+ 0 0 -91.0 -60.7 179.3 46.5 88.7 23.9 0 0.0 40 -1.8 0 0.0 0 0.0 13 40
37 A 192 HIS H H H > > TS+ 0 0 -49.2 -47.3 177.9 42.3 120.3 23.7 0 0.0 41 -2.4 0 0.0 40 -0.6 8 36
38 A 193 ARG R H H > 3 TS+ 0 0 -67.7 -31.0 178.9 66.2 106.5 33.1 0 0.0 42 -1.5 0 0.0 0 0.0 10 33
39 A 194 ALA A H H > 3 TS+ 0 0 -56.6 -37.0 -178.8 35.7 109.4 33.4 0 0.0 43 -1.4 0 0.0 0 0.0 17 41
40 A 195 VAL V H H X < TS+ 0 0 -89.6 -34.8 175.0 58.3 109.9 33.1 36 -1.8 44 -1.9 37 -0.6 0 0.0 12 40
41 A 196 GLU E H H X TS+ 0 0 -61.4 -21.3 177.1 47.8 112.1 36.3 37 -2.4 45 -2.0 0 0.0 0 0.0 8 32
42 A 197 TYR Y H H X TS+ 0 0 -81.0 -45.2 177.0 61.4 99.7 26.2 38 -1.5 46 -2.3 0 0.0 0 0.0 13 36
43 A 198 LEU L H H < TS+ 0 0 -47.6 -31.0 -179.2 45.1 112.5 35.6 39 -1.4 0 0.0 0 0.0 0 0.0 12 38
44 A 199 LEU L H H < TS+ 0 0 -76.6 -81.1 -179.5 50.0 105.7 12.9 40 -1.9 0 0.0 0 0.0 0 0.0 6 27
45 A 200 THR T H H < TS- 0 0 -32.0 -33.5 180.0 -111.8 117.9 41.3 41 -2.0 0 0.0 0 0.0 0 0.0 6 20
46 A 201 GLY G h < T - 0 0 98.5 119.9 180.0 -82.1 27.4 60.7 42 -2.3 0 0.0 0 0.0 0 0.0 6 24
47 A 202 ILE I - 0 0 -54.3 106.4 179.9 -156.9 41.4 108.8 0 0.0 0 0.0 0 0.0 0 0.0 8 24
48 A 203 PRO P 0 0 -49.8 -66.2 180.0 999.9 999.9 15.8 0 0.0 0 0.0 0 0.0 0 0.0 3 18
49 A 204 GLY G 0 0 -70.1 999.9 999.9 999.9 999.9 45.0 0 0.0 0 0.0 0 0.0 0 0.0 2 15
1ifyA.pdb
1IFY DNA BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SHHHHHHHHHHHHTT HHHHHHHHHTTTS SHHHHHHHHH Kabs/Sand
chirality ---+++++++++++++-+--++++++++++--+-+++++++++--- chirality
bends SSSSSSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >3><3< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXX>>>XXX>>>XXX<<<< 4-turns
summary hHHHHHHHHHHHHhTthHHHHHHHHHhTTt hHHHHHHHHHh summary
sequence TLVTGSEYETMLTEIMSMGYERERVVAALRASYNNPHRAVEYLLTGIPG sequence
10 20 30 40