Secondary structure calculation program - copyright by David Keith Smith, 1989
2nef-.pdb
2NEF REGULATORY FACTOR MOL_ID: 1; MOL_ID: 1;
Sequence length - 136
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 56 ALA A 0 0 999.9 -127.1 -179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
2 57 TRP W + 0 0 -71.7 -22.5 179.5 51.0 999.9 38.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
3 58 LEU L S S S+ 0 0 -84.3 -25.6 -179.8 82.7 89.3 39.1 0 0.0 5 -2.7 0 0.0 0 0.0 6 33
4 59 GLU E + 0 0 -76.1 66.8 179.9 179.3 64.5 110.9 0 0.0 6 -1.2 0 0.0 0 0.0 5 22
5 60 ALA A - 0 0 -72.5 99.5 179.8 -174.3 7.7 122.9 3 -2.7 0 0.0 0 0.0 0 0.0 8 19
6 61 GLN Q - 0 0 -58.4 -65.3 179.6 -62.2 61.0 5.3 4 -1.2 0 0.0 0 0.0 0 0.0 5 10
7 62 GLU E S S S+ 0 0 -148.0 -83.6 179.5 40.1 123.8 80.1 0 0.0 9 -1.6 0 0.0 0 0.0 4 10
8 63 GLU E S S S- 0 0 -80.5 89.5 -179.6 -141.0 85.2 125.9 0 0.0 0 0.0 0 0.0 0 0.0 5 11
9 64 GLU E - 0 0 -45.2 155.3 -179.9 -160.1 14.5 90.9 7 -1.6 0 0.0 0 0.0 0 0.0 6 14
10 65 GLU E - 0 0 -146.6 93.7 -180.0 -179.0 18.7 137.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
11 66 VAL V - 0 0 -81.1 31.3 -179.7 -135.4 40.3 86.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
12 67 GLY G - 0 0 48.6 -137.4 179.4 -82.1 35.1 101.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
13 68 PHE F + 0 0 -155.8 43.4 179.0 164.6 59.6 91.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
14 69 PRO P - 0 0 -67.0 119.7 -179.1 -136.6 34.9 119.1 0 0.0 16 -1.3 0 0.0 0 0.0 5 16
15 70 VAL V + 0 0 -82.7 96.7 178.8 147.0 45.6 128.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
16 71 THR T + 0 0 -132.7 96.4 179.7 162.7 15.7 146.2 14 -1.3 0 0.0 0 0.0 0 0.0 7 19
17 72 PRO P - 0 0 -95.6 -160.5 179.8 -26.3 59.5 93.6 0 0.0 19 -0.8 0 0.0 0 0.0 8 20
18 73 GLN Q S S S- 0 0 -53.1 98.1 179.5 -163.0 73.6 106.3 0 0.0 0 0.0 0 0.0 0 0.0 10 21
19 74 VAL V - 0 0 -84.0 155.8 -179.9 -57.9 45.1 121.3 17 -0.8 0 0.0 0 0.0 0 0.0 9 20
20 75 PRO P - 0 0 -34.0 108.4 -178.6 -121.2 62.2 89.7 0 0.0 22 -1.1 0 0.0 0 0.0 5 16
21 76 LEU L - 0 0 -61.8 97.9 178.8 -173.8 39.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 8 21
22 77 ARG R - 0 0 -82.8 -178.7 179.8 -81.7 35.6 102.6 20 -1.1 24 -0.6 0 0.0 0 0.0 5 24
23 78 PRO P - 0 0 -90.3 117.9 -179.9 -127.8 38.1 139.3 0 0.0 25 -0.8 0 0.0 0 0.0 5 23
24 79 MET M - 0 0 -65.3 104.6 -179.1 -159.5 32.4 118.0 22 -0.6 0 0.0 0 0.0 0 0.0 8 31
25 80 THR T h > > T - 0 0 -87.2 149.1 177.9 -122.3 28.1 127.3 23 -0.8 29 -1.6 0 0.0 28 -0.8 6 25
26 81 TYR Y H H > > TS+ 0 0 -52.4 -43.8 177.3 52.6 123.3 16.3 0 0.0 30 -1.6 0 0.0 29 -0.8 8 33
27 82 LYS K H H > 3 TS+ 0 0 -59.9 -29.3 179.7 64.1 99.5 32.6 0 0.0 31 -2.8 0 0.0 0 0.0 7 25
28 83 ALA A H H > < TS+ 0 0 -63.3 -37.2 179.8 51.8 100.0 24.1 25 -0.8 32 -2.9 0 0.0 0 0.0 8 35
29 84 ALA A H H X < TS+ 0 0 -64.0 -49.3 -179.7 43.3 112.6 16.3 25 -1.6 33 -3.4 26 -0.8 0 0.0 11 43
30 85 VAL V H H X TS+ 0 0 -63.7 -45.9 179.3 47.5 116.1 17.8 26 -1.6 34 -2.2 0 0.0 0 0.0 13 36
31 86 ASP D H H X TS+ 0 0 -60.4 -44.7 179.0 46.6 115.3 17.0 27 -2.8 35 -2.6 0 0.0 0 0.0 8 33
32 87 LEU L H H X TS+ 0 0 -62.7 -44.5 -179.4 58.5 106.5 20.8 28 -2.9 36 -2.9 0 0.0 0 0.0 8 45
33 88 SER S H H X TS+ 0 0 -52.3 -47.6 -179.9 37.5 114.0 19.2 29 -3.4 37 -1.2 0 0.0 0 0.0 12 47
34 89 HIS H H H X TS+ 0 0 -74.0 -33.8 179.8 59.4 112.4 29.5 30 -2.2 38 -2.5 0 0.0 0 0.0 9 29
35 90 PHE F H H X TS+ 0 0 -58.6 -53.9 179.5 43.6 108.3 10.9 31 -2.6 39 -1.6 0 0.0 0 0.0 8 30
36 91 LEU L H H < >TS+ 0 0 -60.4 -30.2 -179.6 59.1 111.0 32.4 32 -2.9 41 -1.0 0 0.0 0 0.0 10 39
37 92 LYS K H H < >5TS+ 0 0 -64.7 -54.1 -179.4 39.4 109.4 12.0 33 -1.2 40 -0.7 0 0.0 0 0.0 10 32
38 93 GLU E H H < 35TS+ 0 0 -68.4 -20.0 -179.5 77.5 100.2 41.7 34 -2.5 0 0.0 0 0.0 0 0.0 7 21
39 94 LYS K T h < 35TS- 0 0 -77.5 28.6 179.7 -59.5 137.1 82.8 35 -1.6 0 0.0 0 0.0 0 0.0 7 23
40 95 GLY G T T <5TS- 0 0 128.4 -59.1 180.0 -78.2 86.4 114.9 37 -0.7 0 0.0 0 0.0 0 0.0 9 21
41 96 GLY G t T + 0 0 -80.3 -18.4 -179.5 111.4 59.5 44.7 0 0.0 45 -1.7 0 0.0 0 0.0 10 43
43 98 GLU E T T 3 TS+ 0 0 -52.3 153.9 177.6 13.6 81.3 95.7 0 0.0 0 0.0 0 0.0 0 0.0 9 39
44 99 GLY G T T 3 TS+ 0 0 57.9 1.5 179.8 142.7 88.5 58.4 113 -2.2 46 -0.7 0 0.0 0 0.0 8 33
45 100 LEU L e < T - 0 0 -75.2 115.2 -178.9 -124.4 57.6 127.0 42 -1.7 113 -1.7 0 0.0 47 -0.7 7 39
46 101 ILE I E E AA - 112 0 -63.2 107.0 179.0 -137.0 20.3 115.0 44 -0.7 48 -0.9 0 0.0 0 0.0 8 37
47 102 HIS H E E AA - 111 0 -66.7 103.9 179.5 -176.3 24.3 119.7 111 -2.1 111 -1.3 45 -0.7 0 0.0 11 39
48 103 SER S - 0 0 -66.4 -75.9 179.8 -90.1 48.8 7.1 46 -0.9 0 0.0 0 0.0 0 0.0 8 32
49 104 GLN Q S S S+ 0 0 -170.8 -41.5 179.8 47.4 117.3 78.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
50 105 ARG R S h > > TS+ 0 0 -87.6 -24.5 -180.0 77.7 93.1 41.5 0 0.0 54 -1.7 0 0.0 53 -0.6 7 18
51 106 ARG R H H > 3 TS+ 0 0 -55.4 -25.2 179.9 65.6 86.1 35.6 0 0.0 55 -1.7 0 0.0 0 0.0 8 28
52 107 GLN Q H H > 3 TS+ 0 0 -63.1 -49.7 179.9 46.5 100.7 14.6 0 0.0 56 -1.9 0 0.0 0 0.0 9 36
53 108 ASP D H H > < TS+ 0 0 -58.6 -46.4 -180.0 58.5 106.6 19.0 50 -0.6 57 -3.9 0 0.0 0 0.0 7 26
54 109 ILE I H H X TS+ 0 0 -51.0 -42.2 180.0 50.1 106.7 23.5 50 -1.7 58 -3.8 0 0.0 0 0.0 8 32
55 110 LEU L H H X TS+ 0 0 -61.0 -65.0 179.9 37.2 116.6 3.5 51 -1.7 59 -2.6 0 0.0 0 0.0 8 45
56 111 ASP D H H X TS+ 0 0 -53.6 -45.3 -179.7 46.9 122.5 21.2 52 -1.9 60 -1.1 0 0.0 0 0.0 11 35
57 112 LEU L H H X > TS+ 0 0 -63.8 -49.5 179.8 54.1 108.3 15.5 53 -3.9 61 -1.5 0 0.0 60 -1.1 8 27
58 113 TRP W H H < 3 TS+ 0 0 -51.1 -45.8 179.3 54.1 105.5 20.1 54 -3.8 0 0.0 0 0.0 0 0.0 8 36
59 114 ILE I H H X 3>TS+ 0 0 -57.9 -30.3 -179.3 57.2 106.3 31.7 55 -2.6 64 -2.5 0 0.0 63 -0.8 11 41
60 115 TYR Y H H < <5TS+ 0 0 -65.1 -69.2 -178.8 41.7 106.4 0.7 56 -1.1 0 0.0 57 -1.1 0 0.0 12 30
61 116 HIS H T h < 5TS+ 0 0 -62.7 11.7 179.9 36.0 129.3 67.2 57 -1.5 0 0.0 0 0.0 0 0.0 11 26
62 117 THR T T T 4 5TS+ 0 0 -126.0 -82.7 -179.5 5.3 135.5 59.7 0 0.0 0 0.0 0 0.0 0 0.0 10 32
63 118 GLN Q T T < 5TS- 0 0 -83.0 -16.5 179.3 -137.8 84.5 45.8 59 -0.8 0 0.0 0 0.0 0 0.0 9 34
64 119 GLY G t T - 0 0 -154.7 67.8 -178.3 -174.9 17.5 113.9 87 -2.3 119 -2.9 0 0.0 0 0.0 8 39
117 187 SER S G G > TS+ 0 0 -44.3 -11.2 -179.3 87.1 74.2 50.4 0 0.0 120 -1.8 0 0.0 0 0.0 11 39
118 188 ARG R G G > > T + 0 0 -64.7 -21.0 179.2 78.8 67.2 36.5 0 0.0 121 -2.1 0 0.0 122 -2.0 7 27
119 189 LEU L G G 4 < T + 0 0 -62.8 -0.4 -179.8 88.5 69.4 56.2 116 -2.9 85 -0.5 0 0.0 0 0.0 12 34
120 190 ALA A G G 4 < TS+ 0 0 -74.4 -8.0 179.5 6.5 112.3 51.2 117 -1.8 0 0.0 0 0.0 0 0.0 10 30
121 191 PHE F T g 4 < TS+ 0 0 -141.5 -33.4 179.9 77.4 117.7 60.5 118 -2.1 0 0.0 0 0.0 0 0.0 5 23
122 192 HIS H t < T - 0 0 -73.7 179.6 -179.9 -154.1 60.6 97.5 118 -2.0 0 0.0 0 0.0 0 0.0 6 26
123 193 HIS H h > T + 0 0 -157.9 75.1 179.8 145.2 34.4 114.9 0 0.0 127 -0.7 0 0.0 0 0.0 8 28
124 194 MET M H H > > TS+ 0 0 -80.4 -49.3 -179.6 57.9 75.1 19.9 0 0.0 127 -1.3 0 0.0 128 -1.2 7 31
125 195 ALA A H H > 3 TS+ 0 0 -52.4 -24.3 -179.7 61.4 101.4 37.6 0 0.0 129 -1.5 0 0.0 0 0.0 10 36
126 196 ARG R H H 4 3 TS+ 0 0 -71.7 -37.6 -179.9 50.3 100.9 26.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
127 197 GLU E H H < < TS+ 0 0 -71.9 -21.0 -179.5 54.5 110.1 41.1 124 -1.3 0 0.0 123 -0.7 0 0.0 7 20
128 198 LEU L H H < TS- 0 0 -76.5 -70.6 -179.2 -20.9 133.7 10.5 124 -1.2 0 0.0 0 0.0 0 0.0 6 23
129 199 HIS H h < > T + 0 0 -145.0 82.7 179.5 150.7 68.2 127.3 125 -1.5 132 -0.5 0 0.0 0 0.0 7 24
130 200 PRO P G G > T + 0 0 -86.2 -16.4 -179.7 93.2 55.0 50.4 0 0.0 133 -1.9 0 0.0 0 0.0 8 23
131 201 GLU E G G 3 TS+ 0 0 -53.1 -11.6 -179.9 67.7 77.8 47.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
132 202 TYR Y G G < TS+ 0 0 -78.4 -35.8 -179.9 64.2 90.3 28.9 129 -0.5 134 -0.8 0 0.0 0 0.0 5 21
133 203 PHE F g < T - 0 0 -91.4 108.9 -179.9 -165.6 69.9 139.9 130 -1.9 135 -1.3 0 0.0 0 0.0 5 21
134 204 LYS K + 0 0 -94.3 84.9 179.8 148.7 28.3 131.4 132 -0.8 0 0.0 0 0.0 0 0.0 5 11
135 205 ASN N 0 0 -80.0 -84.7 179.9 999.9 999.9 22.6 133 -1.3 0 0.0 0 0.0 0 0.0 3 11
136 206 ALA A 0 0 -81.8 999.9 999.9 999.9 999.9 32.2 0 0.0 0 0.0 0 0.0 0 0.0 2 6
2nef-.pdb
2NEF REGULATORY FACTOR MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S SS S HHHHHHHHHHHHHTT TT EE SSHHHHHHHHHHTTT SSS B SSSSSB BSSSS EEEE S Kabs/Sand
chirality +++--+-----+-++---------+++++++++++++---+++----++++++++++++++-+--++++---+-++----+-++-++-+-++--+++-+ chirality
bends S SS S SSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS SSS SSSSS SSSS S bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< 3-turns
bridge-2 B bridge-2
bridge-1 AA A B A BBBB bridge-1
sheets AA AAAA sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXX>><<< >33< >>3<< 3-turns
bridge-2 BBBB bridge-2
bridge-1 AA bridge-1
sheets AAAAA sheets
4-turns >444<>>>4<<< 4-turns
summary SS EEEEEeGGGGgthHHHHHhGGGg summary
sequence ANKDDPEREVLEWRFDSRLAFHHMARELHPEYFKNA sequence
110 120 130