Secondary structure calculation program - copyright by David Keith Smith, 1989
1i50F.pdb
1I50 TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 84
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 F 72 LYS K 0 0 999.9 18.9 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
2 F 73 ALA A - 0 0 58.1 140.3 179.5 -140.4 999.9 47.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
3 F 74 ILE I - 0 0 -130.2 136.1 -179.7 -100.8 30.3 172.2 72 -0.6 0 0.0 0 0.0 0 0.0 11 23
4 F 75 PRO P - 0 0 -56.8 148.5 -179.9 -107.8 34.4 99.8 0 0.0 0 0.0 0 0.0 0 0.0 7 18
5 F 76 LYS K S S S+ 0 0 -49.7 -23.9 176.5 60.2 112.9 43.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
6 F 77 ASP D S S S+ 0 0 -99.2 158.1 179.9 39.3 98.3 136.5 0 0.0 0 0.0 0 0.0 0 0.0 5 16
7 F 78 GLN Q S S S+ 0 0 82.4 1.9 177.9 145.5 73.5 60.2 0 0.0 0 0.0 0 0.0 0 0.0 6 18
8 F 79 ARG R - 0 0 -72.8 126.3 -180.0 -177.9 24.4 129.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
9 F 80 ALA A + 0 0 -105.1 -0.7 179.4 108.5 46.2 65.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
10 F 81 THR T S S S- 0 0 -71.2 164.9 -178.4 -67.7 84.6 102.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
11 F 82 THR T - 0 0 -58.7 137.3 178.9 -149.4 26.7 104.7 0 0.0 0 0.0 0 0.0 0 0.0 5 32
12 F 83 PRO P S S S+ 0 0 -75.2 -20.7 -178.4 86.0 80.6 44.1 0 0.0 81 -1.9 0 0.0 0 0.0 7 29
13 F 84 TYR Y B B a S- 81 0 -85.8 142.6 178.9 -118.1 85.3 124.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
14 F 85 MET M - 0 0 -76.1 138.9 179.3 -127.8 31.7 124.6 81 -2.7 0 0.0 0 0.0 0 0.0 11 35
15 F 86 THR T h > T - 0 0 -85.6 157.2 -180.0 -114.6 18.4 121.8 0 0.0 19 -2.5 0 0.0 0 0.0 7 30
16 F 87 LYS K H H > TS+ 0 0 -60.3 -27.5 179.6 55.2 117.8 35.5 0 0.0 20 -1.8 0 0.0 0 0.0 7 23
17 F 88 TYR Y H H > TS+ 0 0 -73.4 -38.5 179.2 47.1 107.3 25.9 0 0.0 21 -2.4 0 0.0 0 0.0 6 24
18 F 89 GLU E H H > TS+ 0 0 -66.6 -45.0 -179.4 50.9 112.0 18.3 0 0.0 22 -3.3 0 0.0 0 0.0 9 39
19 F 90 ARG R H H X TS+ 0 0 -57.8 -41.6 -178.9 49.8 111.0 25.0 15 -2.5 23 -2.3 0 0.0 0 0.0 9 45
20 F 91 ALA A H H X TS+ 0 0 -64.9 -45.2 -179.0 42.2 114.9 22.1 16 -1.8 24 -1.5 0 0.0 0 0.0 8 34
21 F 92 ARG R H H X TS+ 0 0 -72.1 -41.2 177.9 49.8 114.2 24.9 17 -2.4 25 -2.4 0 0.0 0 0.0 8 31
22 F 93 ILE I H H X TS+ 0 0 -59.6 -56.1 179.2 47.9 112.0 10.8 18 -3.3 26 -3.1 0 0.0 0 0.0 9 45
23 F 94 LEU L H H X TS+ 0 0 -52.3 -35.3 -178.8 49.0 114.2 31.8 19 -2.3 27 -2.2 0 0.0 0 0.0 12 42
24 F 95 GLY G H H X TS+ 0 0 -74.5 -35.6 -180.0 45.6 112.6 30.0 20 -1.5 28 -1.9 0 0.0 0 0.0 9 31
25 F 96 THR T H H X TS+ 0 0 -69.9 -50.1 179.9 44.7 116.7 19.3 21 -2.4 29 -1.9 0 0.0 0 0.0 8 35
26 F 97 ARG R H H X TS+ 0 0 -61.1 -46.3 179.4 52.4 112.2 22.0 22 -3.1 30 -2.4 0 0.0 0 0.0 11 41
27 F 98 ALA A H H X TS+ 0 0 -57.4 -45.3 179.1 55.5 105.4 21.2 23 -2.2 31 -2.5 0 0.0 0 0.0 13 38
28 F 99 LEU L H H X TS+ 0 0 -51.7 -48.0 -179.6 48.0 109.0 21.7 24 -1.9 32 -0.6 0 0.0 0 0.0 10 27
29 F 100 GLN Q H H < >>TS+ 0 0 -60.0 -48.2 179.0 49.1 110.7 23.0 25 -1.9 34 -1.9 0 0.0 32 -1.4 9 30
30 F 101 ILE I H H < >5TS+ 0 0 -61.6 -30.7 -179.8 59.8 105.5 33.1 26 -2.4 33 -1.3 0 0.0 0 0.0 13 33
31 F 102 SER S H H < 35TS+ 0 0 -71.5 -15.6 179.4 52.6 103.7 46.6 27 -2.5 0 0.0 0 0.0 0 0.0 8 24
32 F 103 MET M T h < <5TS- 0 0 -109.1 30.8 177.8 -99.0 124.3 94.1 29 -1.4 0 0.0 28 -0.6 0 0.0 6 18
33 F 104 ASN N T T <5T + 0 0 62.1 26.7 178.6 160.3 66.6 41.5 30 -1.3 0 0.0 0 0.0 0 0.0 6 21
34 F 105 ALA A t > TS- 0 0 -84.0 114.6 -179.5 -141.2 70.0 135.8 0 0.0 49 -1.6 0 0.0 48 -0.5 6 27
46 F 117 PRO P H H > > TS+ 0 0 -40.0 -66.6 179.9 46.6 98.6 28.3 0 0.0 50 -3.0 0 0.0 49 -1.4 10 35
47 F 118 LEU L H H > 3 TS+ 0 0 -46.9 -40.6 -179.8 54.4 111.9 28.6 0 0.0 51 -2.6 0 0.0 0 0.0 11 34
48 F 119 ARG R H H > < TS+ 0 0 -62.0 -34.4 179.5 44.4 111.3 33.4 45 -0.5 52 -0.8 0 0.0 0 0.0 10 33
49 F 120 ILE I H H X < TS+ 0 0 -76.6 -41.7 179.8 55.4 109.7 29.6 45 -1.6 53 -2.5 46 -1.4 0 0.0 13 39
50 F 121 ALA A H H X TS+ 0 0 -57.5 -43.7 179.9 53.2 105.1 22.9 46 -3.0 54 -2.4 0 0.0 0 0.0 12 45
51 F 122 MET M H H X TS+ 0 0 -60.5 -33.8 179.9 51.8 107.8 31.9 47 -2.6 55 -2.1 0 0.0 0 0.0 9 45
52 F 123 LYS K H H X TS+ 0 0 -70.4 -41.2 179.3 50.9 107.6 23.5 48 -0.8 56 -1.8 0 0.0 0 0.0 9 37
53 F 124 GLU E H H < >TS+ 0 0 -61.6 -39.1 -179.3 51.2 110.0 25.8 49 -2.5 58 -2.8 0 0.0 0 0.0 12 44
54 F 125 LEU L H H < >5TS+ 0 0 -63.0 -51.4 179.6 52.0 106.7 18.1 50 -2.4 57 -2.4 0 0.0 0 0.0 10 47
55 F 126 ALA A H H < 35TS+ 0 0 -54.0 -38.2 -179.8 46.8 112.5 29.4 51 -2.1 0 0.0 0 0.0 0 0.0 7 36
56 F 127 GLU E T h < 35TS- 0 0 -92.9 23.9 178.3 -124.1 110.8 83.4 52 -1.8 0 0.0 0 0.0 0 0.0 7 31
57 F 128 LYS K T T <5TS+ 0 0 42.3 32.7 -179.4 132.3 70.6 42.3 54 -2.4 0 0.0 0 0.0 0 0.0 8 33
58 F 129 LYS K t T - 0 0 -100.2 153.2 -179.5 -105.4 31.2 137.3 71 -2.7 70 -1.9 0 0.0 0 0.0 7 20
68 F 139 PRO P T T 3 TS+ 0 0 -48.2 -31.0 -178.8 54.5 119.0 37.8 0 0.0 0 0.0 0 0.0 0 0.0 5 14
69 F 140 ASP D T T 3 TS- 0 0 -80.4 -17.8 179.9 -98.9 121.9 47.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
70 F 141 GLY G S t < TS+ 0 0 126.5 -32.9 179.3 112.7 86.3 91.7 67 -1.9 0 0.0 0 0.0 0 0.0 7 13
71 F 142 SER S e - 0 0 -63.4 173.1 -179.0 -163.9 47.9 94.8 0 0.0 67 -2.7 0 0.0 0 0.0 10 21
72 F 143 PHE F E E AA - 66 0 -159.4 164.1 179.8 -136.4 18.5 172.9 0 0.0 3 -0.6 0 0.0 0 0.0 11 25
73 F 144 GLU E E E AA - 65 0 -124.7 151.4 179.8 -141.1 16.2 156.2 65 -2.2 65 -2.2 0 0.0 0 0.0 13 33
74 F 145 ASP D E E AA + 64 0 -118.3 122.6 179.4 177.4 19.6 164.0 0 0.0 0 0.0 0 0.0 0 0.0 11 34
75 F 146 TRP W E E AA - 63 0 -125.2 131.1 179.1 -134.1 23.2 170.7 63 -2.3 63 -3.3 0 0.0 0 0.0 10 38
76 F 147 SER S E E >AA T - 62 0 -81.0 146.5 179.1 -125.6 19.8 123.3 0 0.0 80 -2.2 0 0.0 0 0.0 10 38
77 F 148 VAL V T e 4 TS+ 0 0 -56.5 -35.3 179.4 59.9 115.3 26.0 61 -2.9 0 0.0 0 0.0 0 0.0 11 42
78 F 149 GLU E T T 4 TS+ 0 0 -57.1 -47.8 179.8 44.8 106.1 22.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
79 F 150 GLU E T T 4 TS+ 0 0 -60.3 -54.1 -177.0 98.4 91.1 21.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
80 F 151 LEU L S t < TS- 0 0 -45.4 129.4 178.9 -130.7 73.1 94.5 76 -2.2 0 0.0 0 0.0 0 0.0 10 40
81 F 152 ILE I B B a - 13 0 -84.2 130.8 -178.7 -145.7 16.9 135.4 12 -1.9 14 -2.7 0 0.0 83 -0.8 7 29
82 F 153 VAL V + 0 0 -107.7 98.4 179.6 131.2 44.2 145.3 0 0.0 0 0.0 0 0.0 0 0.0 6 32
83 F 154 ASP D 0 0 -144.9 106.9 -179.6 999.9 999.9 153.7 81 -0.8 0 0.0 0 0.0 0 0.0 5 22
84 F 155 LEU L 0 0 -133.2 999.9 999.9 999.9 999.9 55.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
1i50F.pdb
1I50 TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS S SB HHHHHHHHHHHHHHHHTT S SS SHHHHHHHHHHTT EEEEE TTS EEEEETTTSB Kabs/Sand
chirality ---+++-+--+---++++++++++++++++-+---+----+++-++++++++++-++-+-------+-+---+--+++--+ chirality
bends SSS S SS SSSSSSSSSSSSSSSSS S SS SSSSSSSSSSSSS SSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 a AAAAA AAAAA a bridge-1
sheets AAAAA AAAAA sheets
4-turns >>>>XXXXXXXXXX<<<< >>>>XXXX<<<< >444< 4-turns
summary SSS S SB hHHHHHHHHHHHHHHHHhTt S SS hHHHHHHHHHHhTt eEEEEEeTTteEEEEEeTTtB summary
sequence KAIPKDQRATTPYMTKYERARILGTRALQISMNAPVFVDLEGETDPLRIAMKELAEKKIPLVIRRYLPDGSFEDWSVEELIVDL sequence
10 20 30 40 50 60 70 80