Secondary structure calculation program - copyright by David Keith Smith, 1989
1pcfA.pdb
1PCF TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 66
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 62 ALA A e 0 0 999.9 142.7 -174.7 999.9 999.9 999.9 0 0.0 13 -2.5 0 0.0 0 0.0 5 21
2 A 63 MET M E E AA - 12 0 -129.3 137.3 -172.2 -170.7 999.9 157.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
3 A 64 PHE F E E AA - 11 0 -131.3 113.8 -173.2 -133.9 22.1 161.8 11 -2.2 11 -2.8 0 0.0 0 0.0 7 22
4 A 65 GLN Q E E AA + 10 0 -76.9 137.1 178.5 170.2 28.0 116.6 0 0.0 0 0.0 0 0.0 0 0.0 9 23
5 A 66 ILE I E E A* - 0 0 -121.2 -2.7 173.6 -22.6 67.2 68.4 9 -2.7 0 0.0 0 0.0 0 0.0 7 20
6 A 67 GLY G E E AA > TS- 9 0 -179.6 -176.8 174.9 -40.7 97.4 166.2 9 -1.3 9 -1.9 0 0.0 0 0.0 6 19
7 A 68 LYS K T T 3 TS- 0 0 -61.4 125.2 173.9 -8.1 130.3 114.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
8 A 69 MET M T e 3 TS+ 0 0 64.8 16.7 -176.2 112.0 113.6 46.2 0 0.0 27 -2.8 0 0.0 0 0.0 9 27
9 A 70 ARG R E E AAB< T + 6 26 -131.5 126.1 -175.3 167.7 39.5 169.7 6 -1.9 5 -2.7 0 0.0 6 -1.3 11 30
10 A 71 TYR Y E E AAB - 4 25 -137.2 148.2 164.6 -137.0 34.3 174.8 25 -2.2 25 -2.2 0 0.0 0 0.0 14 33
11 A 72 VAL V E E AAB - 3 24 -93.7 128.2 177.8 -163.5 30.3 154.6 3 -2.8 3 -2.2 0 0.0 0 0.0 12 38
12 A 73 SER S E E AAB - 2 23 -110.5 143.9 167.5 -167.1 9.5 158.0 23 -2.7 23 -3.1 0 0.0 0 0.0 11 35
13 A 74 VAL V E E A B + 0 22 -122.4 128.9 174.1 150.2 25.0 175.1 1 -2.5 0 0.0 0 0.0 0 0.0 10 32
14 A 75 ARG R E E A B - 0 21 -150.9 164.9 175.2 -113.1 47.8 169.8 21 -1.7 21 -2.4 0 0.0 0 0.0 8 25
15 A 76 ASP D E E A B - 0 20 -97.1 126.1 -171.9 -175.8 34.0 142.5 0 0.0 0 0.0 0 0.0 0 0.0 8 18
16 A 77 PHE F E E A B> TS- 0 19 -131.4 105.0 -178.2 -23.6 71.3 170.4 19 -3.0 19 -2.4 0 0.0 0 0.0 7 16
17 A 78 LYS K T T 3 TS- 0 0 58.7 39.3 -179.6 -49.1 128.5 29.7 0 0.0 0 0.0 0 0.0 0 0.0 4 10
18 A 79 GLY G T T 3 TS+ 0 0 77.4 7.8 178.5 106.1 121.7 61.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
19 A 80 LYS K E E AB < T - 16 0 -117.0 137.9 177.8 -132.2 66.2 162.0 16 -2.4 16 -3.0 0 0.0 0 0.0 7 18
20 A 81 VAL V E E AB - 15 0 -90.3 140.8 178.5 -169.5 22.9 131.1 0 0.0 0 0.0 0 0.0 0 0.0 10 24
21 A 82 LEU L E E AB - 14 0 -129.6 142.3 178.1 -154.4 16.3 172.0 14 -2.4 14 -1.7 0 0.0 23 -0.6 13 30
22 A 83 ILE I E E ABC - 13 44 -113.2 110.5 -168.2 -168.5 22.6 164.9 44 -3.3 44 -3.2 0 0.0 0 0.0 13 36
23 A 84 ASP D E E ABC - 12 43 -113.6 126.6 -173.5 -166.0 14.2 159.0 12 -3.1 12 -2.7 21 -0.6 25 -0.5 12 39
24 A 85 ILE I E E ABC + 11 42 -110.7 115.2 -163.6 146.7 35.4 171.6 42 -2.7 42 -2.3 0 0.0 0 0.0 11 39
25 A 86 ARG R E E ABC - 10 41 -156.0 152.8 169.5 -112.5 50.7 174.3 10 -2.2 10 -2.2 23 -0.5 0 0.0 13 33
26 A 87 GLU E E E AB* - 9 0 -84.9 144.3 -177.8 -159.5 35.9 132.4 40 -2.4 38 -3.0 0 0.0 0 0.0 12 29
27 A 88 TYR Y E E A C - 0 37 -122.1 151.1 168.3 -148.3 8.2 156.7 8 -2.8 0 0.0 0 0.0 0 0.0 11 31
28 A 89 TRP W E E A C - 0 36 -101.7 166.1 167.8 -121.6 21.9 136.9 36 -2.8 36 -2.8 0 0.0 30 -0.5 9 24
29 A 90 MET M E E A C - 0 35 -106.6 127.5 -179.4 -143.5 28.2 159.9 0 0.0 0 0.0 0 0.0 0 0.0 9 19
30 A 91 ASP D e > T - 0 0 -80.1 -179.0 -176.4 -90.5 33.6 106.8 34 -2.9 33 -2.4 28 -0.5 0 0.0 8 13
31 A 92 PRO P T T 3 TS+ 0 0 -69.7 -15.1 175.9 55.1 126.7 43.6 0 0.0 0 0.0 0 0.0 0 0.0 5 10
32 A 93 GLU E T T 3 TS- 0 0 -96.2 4.0 177.2 -104.3 121.6 68.1 0 0.0 0 0.0 0 0.0 0 0.0 5 9
33 A 94 GLY G S t < TS+ 0 0 88.6 8.8 -179.4 136.9 76.5 59.5 30 -2.4 0 0.0 0 0.0 0 0.0 6 11
34 A 95 GLU E e - 0 0 -91.3 144.2 175.9 -120.9 56.5 136.0 0 0.0 30 -2.9 0 0.0 0 0.0 7 17
35 A 96 MET M E E AC - 29 0 -82.4 132.3 -179.2 -172.6 32.8 122.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
36 A 97 LYS K E E AC - 28 0 -128.1 138.9 -174.3 -99.2 29.1 166.5 28 -2.8 28 -2.8 0 0.0 0 0.0 8 27
37 A 98 PRO P E E AC - 27 0 -65.0 132.2 175.8 -150.5 34.4 116.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
38 A 99 GLY G E E A* - 0 0 -88.5 -179.2 -179.4 -105.0 27.7 101.6 26 -3.0 0 0.0 0 0.0 0 0.0 9 23
39 A 100 ARG R E E A* S+ 0 0 -78.3 -25.6 -172.9 84.9 98.6 45.4 0 0.0 41 -1.5 0 0.0 0 0.0 6 19
40 A 101 LYS K E E A* S+ 0 0 -86.2 87.4 177.0 91.3 71.1 135.0 0 0.0 26 -2.4 0 0.0 0 0.0 6 21
41 A 102 GLY G E E AC - 25 0 -164.0 170.7 179.6 -132.7 59.2 164.3 39 -1.5 0 0.0 0 0.0 0 0.0 9 28
42 A 103 ILE I E E AC - 24 0 -136.0 137.9 -180.0 -144.5 11.2 174.2 24 -2.3 24 -2.7 0 0.0 44 -0.6 7 27
43 A 104 SER S E E AC - 23 0 -105.7 117.1 -178.1 -170.2 21.6 155.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
44 A 105 LEU L E E AC - 22 0 -107.7 144.3 171.2 -136.7 16.5 151.6 22 -3.2 22 -3.3 42 -0.6 0 0.0 10 27
45 A 106 ASN N h > T - 0 0 -85.3 169.0 -175.1 -95.6 41.6 114.6 0 0.0 49 -2.5 0 0.0 0 0.0 10 26
46 A 107 PRO P H H > TS+ 0 0 -54.9 -39.1 178.9 54.3 124.8 31.7 0 0.0 50 -2.4 0 0.0 0 0.0 9 25
47 A 108 GLU E H H > TS+ 0 0 -63.5 -39.5 180.0 44.8 110.9 23.5 0 0.0 51 -2.1 0 0.0 0 0.0 7 19
48 A 109 GLN Q H H > TS+ 0 0 -73.5 -34.3 175.6 52.2 111.9 31.4 0 0.0 52 -2.6 0 0.0 0 0.0 8 21
49 A 110 TRP W H H X TS+ 0 0 -62.6 -40.8 176.1 50.9 109.6 22.4 45 -2.5 53 -2.5 0 0.0 0 0.0 10 26
50 A 111 SER S H H X TS+ 0 0 -62.7 -39.7 179.2 48.9 109.9 21.8 46 -2.4 54 -2.3 0 0.0 0 0.0 8 20
51 A 112 GLN Q H H X TS+ 0 0 -69.5 -38.4 173.7 53.5 108.4 26.1 47 -2.1 55 -1.3 0 0.0 0 0.0 8 18
52 A 113 LEU L H H X > TS+ 0 0 -57.4 -44.8 -177.9 47.5 110.7 18.6 48 -2.6 55 -0.7 0 0.0 56 -0.5 8 23
53 A 114 LYS K H H < > TS+ 0 0 -66.5 -33.5 176.3 56.2 106.7 20.7 49 -2.5 56 -1.5 0 0.0 0 0.0 7 21
54 A 115 GLU E H H < 3 TS+ 0 0 -63.5 -32.7 -178.6 50.4 107.7 41.0 50 -2.3 0 0.0 0 0.0 0 0.0 7 15
55 A 116 GLN Q H H X < TS+ 0 0 -84.5 -2.7 -173.8 97.7 82.9 60.9 51 -1.3 59 -2.2 52 -0.7 0 0.0 8 16
56 A 117 ILE I H H X < TS+ 0 0 -57.8 -44.8 -177.1 52.4 78.7 29.0 53 -1.5 60 -2.7 52 -0.5 0 0.0 8 16
57 A 118 SER S H H > TS+ 0 0 -59.7 -44.0 178.7 42.0 115.4 16.3 0 0.0 61 -1.8 0 0.0 0 0.0 7 15
58 A 119 ASP D H H > TS+ 0 0 -69.0 -37.7 177.3 52.4 113.0 35.6 0 0.0 62 -1.5 0 0.0 0 0.0 7 15
59 A 120 ILE I H H X TS+ 0 0 -60.0 -42.0 -178.8 49.7 110.5 19.0 55 -2.2 63 -2.7 0 0.0 0 0.0 8 15
60 A 121 ASP D H H X TS+ 0 0 -65.7 -39.2 179.6 54.7 106.0 30.4 56 -2.7 64 -2.4 0 0.0 0 0.0 8 14
61 A 122 ASP D H H X TS+ 0 0 -62.0 -38.0 -179.6 47.3 110.8 26.1 57 -1.8 65 -1.9 0 0.0 0 0.0 8 13
62 A 123 ALA A H H X TS+ 0 0 -70.4 -41.2 174.5 52.6 109.1 24.5 58 -1.5 66 -1.8 0 0.0 0 0.0 8 11
63 A 124 VAL V H H < TS+ 0 0 -59.7 -41.5 178.4 46.4 112.4 23.8 59 -2.7 0 0.0 0 0.0 0 0.0 7 11
64 A 125 ARG R H H < TS+ 0 0 -69.5 -35.5 179.9 49.7 112.9 31.7 60 -2.4 0 0.0 0 0.0 0 0.0 6 10
65 A 126 LYS K H H < T 0 0 -68.9 -33.3 -169.6 999.9 999.9 37.9 61 -1.9 0 0.0 0 0.0 0 0.0 5 9
66 A 127 LEU L h < T 0 0 -96.4 999.9 999.9 999.9 999.9 66.5 62 -1.8 0 0.0 0 0.0 0 0.0 4 8
1pcfA.pdb
1PCF TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEETTEEEEEEEETTEEEEEEEEEEE TTS EEEEEEEEEE HHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality --+---++---+----+-----+------+-+-----++-----+++++++++++++++++++ chirality
bends SSS SSS SSS SS SSSSSSSSSSSSSSSSSSS bends
turns TTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >>3<< 3-turns
bridge-2 BBBBBBBB CCCC*CCC bridge-2
bridge-1 AAA*A AAAA BBBBBBBB CCC***CCCC bridge-1
sheets AAAAA AAAAAAAA AAAAAAAAAAA AAAAAAAAAA sheets
4-turns >>>>XXXX<>XXXX<<<< 4-turns
summary eEEEEETeEEEEEEEETTEEEEEEEEEEEeTTteEEEEEEEEEEhHHHHHHHHHHHHHHHHHHHHh summary
sequence AMFQIGKMRYVSVRDFKGKVLIDIREYWMDPEGEMKPGRKGISLNPEQWSQLKEQISDIDDAVRKL sequence
10 20 30 40 50 60