Secondary structure calculation program - copyright by David Keith Smith, 1989
1dax-.pdb
1DAX ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 64
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 1 ALA A 0 0 999.9 -117.1 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
2 2 ARG R + 0 0 -108.6 129.1 180.0 161.5 999.9 154.0 0 0.0 0 0.0 0 0.0 0 0.0 7 17
3 3 LYS K + 0 0 -123.9 -156.2 179.9 173.9 7.9 112.7 62 -2.1 0 0.0 0 0.0 0 0.0 9 28
4 4 PHE F + 0 0 165.9 177.1 -180.0 165.0 4.7 162.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
5 5 TYR Y E E AA - 60 0 174.4 -160.0 -179.9 -107.8 27.1 164.8 60 -0.9 60 -1.7 0 0.0 0 0.0 12 47
6 6 VAL V E E AA - 59 0 -150.6 171.9 179.9 -132.6 10.3 160.6 0 0.0 0 0.0 0 0.0 0 0.0 9 48
7 7 ASP D e - 0 0 -124.7 45.7 179.8 -153.8 16.0 103.2 58 -2.4 9 -9.9 0 0.0 0 0.0 9 34
8 8 GLN Q S t > TS+ 0 0 -0.9 0.0 -179.8 104.0 78.0 49.6 0 0.0 11 -1.3 0 0.0 0 0.0 12 38
9 9 ASP D T T 3 TS+ 0 0 -64.1 -43.3 180.0 32.2 85.0 20.8 7 -9.9 0 0.0 0 0.0 0 0.0 5 28
10 10 GLU E T T 3 TS+ 0 0 -103.7 35.9 180.0 120.5 93.9 94.7 0 0.0 12 -0.6 0 0.0 0 0.0 8 30
11 11 CYS C t < T - 0 0 -103.4 119.1 180.0 -170.2 42.1 150.4 8 -1.3 0 0.0 0 0.0 0 0.0 11 36
12 12 ILE I - 0 0 -69.8 -64.6 179.9 -87.2 55.4 5.2 10 -0.6 0 0.0 0 0.0 0 0.0 5 30
13 13 ALA A S S S+ 0 0 161.9 25.8 179.9 133.8 78.0 69.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
14 14 CYS C - 0 0 -96.5 145.0 -179.6 -146.2 48.2 137.1 0 0.0 0 0.0 0 0.0 0 0.0 6 34
15 15 GLU E h > T + 0 0 -91.4 13.7 179.9 119.2 64.5 73.7 0 0.0 19 -3.2 0 0.0 0 0.0 9 40
16 16 SER S H H > TS+ 0 0 -42.4 -59.1 179.8 32.7 86.0 20.0 0 0.0 20 -2.0 0 0.0 0 0.0 9 38
17 17 CYS C H H > TS+ 0 0 -65.1 -52.2 179.9 61.6 112.5 13.2 0 0.0 21 -0.6 0 0.0 0 0.0 16 50
18 18 VAL V H H 4 > TS+ 0 0 -41.6 -42.2 179.8 46.9 108.1 27.3 0 0.0 21 -0.9 0 0.0 0 0.0 14 49
19 19 GLU E H H < 3 TS+ 0 0 -67.3 -53.7 179.6 51.5 108.1 11.4 15 -3.2 0 0.0 0 0.0 0 0.0 8 32
20 20 ILE I H H < 3 TS+ 0 0 -63.4 7.8 -180.0 15.8 134.8 62.3 16 -2.0 0 0.0 0 0.0 0 0.0 11 36
21 21 ALA A h X < T + 0 0 -178.2 66.2 -180.0 171.8 65.9 96.2 18 -0.9 25 -1.6 17 -0.6 23 -0.9 14 39
22 22 PRO P T T 4 TS+ 0 0 -73.6 32.8 180.0 49.3 84.0 88.8 0 0.0 0 0.0 0 0.0 0 0.0 11 34
23 23 GLY G T T 4 TS+ 0 0 -139.2 -34.5 180.0 27.9 118.1 59.3 21 -0.9 0 0.0 0 0.0 0 0.0 11 33
24 24 ALA A T e 4 TS+ 0 0 -100.6 -44.3 -179.9 52.4 117.6 34.1 0 0.0 37 -1.8 0 0.0 38 -1.2 15 41
25 25 PHE F E E > T - 0 0 -110.9 98.7 -180.0 -179.8 60.8 146.4 24 -1.2 41 -0.9 0 0.0 42 -0.5 9 33
39 39 VAL V G G 4 > TS+ 0 0 -66.8 -24.2 -179.9 54.7 87.6 37.1 37 -0.7 42 -0.5 0 0.0 0 0.0 13 37
40 40 GLU E G G 4 3 TS+ 0 0 -82.8 -14.4 -180.0 73.1 91.7 48.2 0 0.0 0 0.0 0 0.0 0 0.0 7 28
41 41 GLY G G G 4 < TS+ 0 0 -70.5 -22.0 -179.9 40.3 104.1 39.6 38 -0.9 0 0.0 0 0.0 0 0.0 10 31
42 42 ALA A S g < < TS- 0 0 -130.7 121.5 180.0 -139.3 82.6 165.3 38 -0.5 0 0.0 39 -0.5 0 0.0 15 38
43 43 SER S h > >T - 0 0 -71.7 161.5 -180.0 -99.8 36.4 107.3 0 0.0 47 -2.5 0 0.0 48 -0.7 10 30
44 44 GLN Q H H > 5TS+ 0 0 -48.9 -44.3 179.9 48.3 128.8 22.9 0 0.0 48 -1.9 0 0.0 0 0.0 6 34
45 45 GLU E H H > 5TS+ 0 0 -64.7 -40.5 179.7 35.3 122.0 22.4 0 0.0 49 -2.2 0 0.0 0 0.0 7 27
46 46 GLU E H H > 5TS+ 0 0 -76.5 -67.3 179.6 46.0 119.0 10.8 0 0.0 50 -2.9 0 0.0 0 0.0 10 34
47 47 VAL V H H X 5TS+ 0 0 -41.3 -44.1 179.9 47.9 118.7 26.1 43 -2.5 51 -2.1 0 0.0 0 0.0 15 43
48 48 GLU E H H X > TS+ 0 0 -60.6 -41.7 -179.9 55.5 106.0 22.3 46 -2.9 54 -1.0 0 0.0 53 -0.9 14 46
51 51 MET M H H < X TS+ 0 0 -58.7 -41.0 -180.0 48.5 107.6 23.2 47 -2.1 54 -0.8 48 -0.6 0 0.0 10 47
52 52 ASP D H H < 3 TS+ 0 0 -73.6 -13.3 -180.0 62.1 104.6 47.3 48 -2.2 0 0.0 0 0.0 0 0.0 8 32
53 53 THR T H H < < TS+ 0 0 -84.0 -19.1 180.0 97.0 83.6 44.5 50 -0.9 0 0.0 49 -0.9 0 0.0 9 33
54 54 CYS C S h < < TS- 0 0 -70.1 147.7 -180.0 -141.4 70.9 114.3 50 -1.0 0 0.0 51 -0.8 0 0.0 10 38
55 55 PRO P S S S+ 0 0 -74.8 -55.2 180.0 17.3 100.5 16.3 0 0.0 0 0.0 0 0.0 0 0.0 5 28
56 56 VAL V S S S- 0 0 -92.5 -14.8 179.9 -132.7 99.3 50.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
57 57 GLN Q - 0 0 63.2 59.8 180.0 -176.0 27.7 6.8 0 0.0 0 0.0 0 0.0 0 0.0 10 35
58 58 CYS C e + 0 0 -76.4 28.7 -179.9 97.1 54.5 83.0 0 0.0 7 -2.4 0 0.0 0 0.0 11 38
59 59 ILE I E E AA - 6 0 -118.8 148.4 -180.0 -178.5 49.9 154.1 0 0.0 0 0.0 0 0.0 0 0.0 9 48
60 60 HIS H E E AA - 5 0 -147.3 131.2 180.0 -121.1 26.8 167.5 5 -1.7 5 -0.9 0 0.0 0 0.0 8 36
61 61 TRP W - 0 0 -67.0 154.9 180.0 -137.4 23.8 107.6 0 0.0 63 -0.6 0 0.0 0 0.0 8 34
62 62 GLU E + 0 0 -119.6 108.9 180.0 168.2 28.8 155.6 0 0.0 3 -2.1 0 0.0 0 0.0 8 21
63 63 ASP D 0 0 -85.9 -36.8 -180.0 999.9 999.9 31.0 61 -0.6 0 0.0 0 0.0 0 0.0 7 13
64 64 GLU E 0 0 -107.2 999.9 999.9 999.9 999.9 36.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9
1dax-.pdb
1DAX ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE STT S HHHHH TTTEEE SSSSSEEE GGGS HHHHHHHHHHSSS EE Kabs/Sand
chirality +++---+++--+-+++++++++++---++-+---++-+++--++++++++++-+--+---+ chirality
bends SSS S SSSSS SSS SSSSS SSSS SSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >3>X3<< 3-turns
bridge-2 bridge-2
bridge-1 AA BBB BBB AA bridge-1
sheets AA BBB BBB AA sheets
4-turns >>>4<444<>>>>XXXX<<<< 4-turns
summary EEetTTt S hHHHHHhTTeEEEeSSSSeEEEegGGGghHHHHHHHHHHhSS eEE summary
sequence ARKFYVDQDECIACESCVEIAPGAFAMDPEIEKAYVKDVEGASQEEVEEAMDTCPVQCIHWEDE sequence
10 20 30 40 50 60
Messages
atoms too close 9 7 1.194 1.317 0.200 2.167