Secondary structure calculation program - copyright by David Keith Smith, 1989
1rprA.pdb
1RPR TRANSCRIPTION REGULATION ROP (REPRESSOR OF PRIMER) (NMR, 10 STRUCTURES) (ESCHERICHIA COLI, STRAIN K14)
Sequence length - 63
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 1 MET M 0 0 999.9 -16.9 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 18
2 A 2 THR T + 0 0 66.1 12.0 -179.6 101.8 999.9 51.4 0 0.0 0 0.0 0 0.0 0 0.0 11 22
3 A 3 LYS K S h > > TS- 0 0 -90.0 -104.8 -178.6 -1.5 93.3 42.6 0 0.0 7 -1.4 0 0.0 6 -1.1 6 21
4 A 4 GLN Q H H > 3 TS+ 0 0 -60.2 -28.6 -179.9 68.7 127.0 35.6 0 0.0 8 -2.5 0 0.0 0 0.0 7 22
5 A 5 GLU E H H > 3 TS+ 0 0 -57.4 -40.5 -179.6 43.3 103.1 24.8 0 0.0 9 -1.8 0 0.0 0 0.0 10 27
6 A 6 LYS K H H > < TS+ 0 0 -76.5 -27.4 -179.5 63.3 105.9 35.1 3 -1.1 10 -2.0 0 0.0 0 0.0 10 30
7 A 7 THR T H H X TS+ 0 0 -61.8 -48.2 -179.7 41.0 107.8 15.0 3 -1.4 11 -1.9 0 0.0 0 0.0 8 27
8 A 8 ALA A H H X TS+ 0 0 -62.7 -42.0 -179.6 53.8 114.0 20.3 4 -2.5 12 -2.3 0 0.0 0 0.0 9 30
9 A 9 LEU L H H X TS+ 0 0 -61.0 -27.7 -179.3 52.8 107.3 35.9 5 -1.8 13 -1.7 0 0.0 0 0.0 12 32
10 A 10 ASN N H H X TS+ 0 0 -78.1 -33.0 -179.5 54.9 104.7 31.6 6 -2.0 14 -2.2 0 0.0 0 0.0 8 32
11 A 11 MET M H H X TS+ 0 0 -65.4 -49.6 -179.4 43.0 110.9 15.5 7 -1.9 15 -2.7 0 0.0 0 0.0 8 30
12 A 12 ALA A H H X TS+ 0 0 -61.2 -42.0 -179.3 49.3 116.0 21.2 8 -2.3 16 -1.9 0 0.0 0 0.0 13 33
13 A 13 ARG R H H X TS+ 0 0 -64.5 -32.7 -178.6 53.2 110.2 29.8 9 -1.7 17 -1.8 0 0.0 0 0.0 11 35
14 A 14 PHE F H H X TS+ 0 0 -70.4 -43.4 -179.5 52.7 104.2 22.1 10 -2.2 18 -2.6 0 0.0 0 0.0 8 28
15 A 15 ILE I H H X TS+ 0 0 -60.7 -36.8 179.7 55.5 105.9 25.3 11 -2.7 19 -2.7 0 0.0 0 0.0 9 32
16 A 16 ARG R H H X TS+ 0 0 -58.9 -45.2 -179.7 49.9 107.6 16.7 12 -1.9 20 -1.9 0 0.0 0 0.0 13 34
17 A 17 SER S H H X TS+ 0 0 -59.2 -43.3 -179.5 51.4 108.4 22.9 13 -1.8 21 -2.7 0 0.0 0 0.0 8 30
18 A 18 GLN Q H H X TS+ 0 0 -61.1 -39.5 -179.5 51.9 109.0 22.2 14 -2.6 22 -1.7 0 0.0 0 0.0 8 31
19 A 19 THR T H H X TS+ 0 0 -65.3 -30.7 -179.6 51.8 108.3 32.5 15 -2.7 23 -2.5 0 0.0 0 0.0 13 34
20 A 20 LEU L H H X TS+ 0 0 -68.1 -58.1 -179.1 41.7 113.6 6.6 16 -1.9 24 -2.0 0 0.0 0 0.0 11 32
21 A 21 THR T H H X TS+ 0 0 -59.4 -20.9 -179.7 58.0 112.3 40.3 17 -2.7 25 -2.1 0 0.0 0 0.0 8 28
22 A 22 LEU L H H X TS+ 0 0 -73.6 -44.7 -179.7 54.9 100.5 19.1 18 -1.7 26 -2.8 0 0.0 0 0.0 9 31
23 A 23 LEU L H H X TS+ 0 0 -49.7 -49.8 -179.2 51.0 109.1 19.8 19 -2.5 27 -2.4 0 0.0 0 0.0 12 30
24 A 24 GLU E H H X TS+ 0 0 -51.4 -65.5 -177.5 43.9 110.6 14.8 20 -2.0 28 -1.7 0 0.0 0 0.0 8 26
25 A 25 LYS K H H X TS+ 0 0 -53.7 -35.0 -179.9 54.8 112.2 33.3 21 -2.1 29 -1.6 0 0.0 0 0.0 8 23
26 A 26 LEU L H H < >TS+ 0 0 -67.5 -39.7 -179.6 52.4 105.2 22.3 22 -2.8 31 -2.9 0 0.0 0 0.0 12 25
27 A 27 ASN N H H < >5TS+ 0 0 -65.2 -28.5 179.6 59.5 102.9 32.5 23 -2.4 30 -1.6 0 0.0 0 0.0 10 21
28 A 28 GLU E H H < 35TS+ 0 0 -63.6 -40.6 -179.4 46.6 106.9 22.2 24 -1.7 0 0.0 0 0.0 0 0.0 7 17
29 A 29 LEU L T h < 35TS- 0 0 -90.0 33.0 -179.6 -113.6 117.8 92.3 25 -1.6 0 0.0 0 0.0 0 0.0 6 16
30 A 30 ASP D T T <5T + 0 0 38.9 38.0 -179.5 157.2 62.9 36.0 27 -1.6 32 -1.7 0 0.0 0 0.0 6 16
31 A 31 ALA A h > TS+ 0 0 -50.5 -44.9 -180.0 54.5 73.9 26.0 30 -1.7 36 -2.3 0 0.0 0 0.0 8 20
33 A 33 GLU E H H > > TS+ 0 0 -52.8 -68.5 -178.8 40.4 110.4 10.8 0 0.0 37 -2.0 0 0.0 36 -0.6 6 19
34 A 34 GLN Q H H > 3 TS+ 0 0 -58.1 -23.2 -179.1 64.2 110.1 40.2 0 0.0 38 -1.9 0 0.0 0 0.0 9 24
35 A 35 ALA A H H X 3 TS+ 0 0 -69.8 -44.2 -179.7 44.3 103.7 19.2 31 -2.2 39 -2.2 0 0.0 0 0.0 11 27
36 A 36 ASP D H H X X TS+ 0 0 -60.3 -54.6 -179.6 46.8 115.8 9.9 32 -2.3 40 -2.5 33 -0.6 39 -0.5 8 26
37 A 37 ILE I H H X 3 TS+ 0 0 -54.2 -33.6 -179.0 57.0 110.0 31.4 33 -2.0 41 -1.8 0 0.0 0 0.0 8 26
38 A 38 CYS C H H X 3 TS+ 0 0 -69.4 -38.2 179.6 48.5 105.1 25.8 34 -1.9 42 -2.3 0 0.0 0 0.0 12 32
39 A 39 GLU E H H X < TS+ 0 0 -69.1 -35.3 179.0 52.2 110.0 26.3 35 -2.2 43 -2.7 36 -0.5 0 0.0 11 29
40 A 40 SER S H H X TS+ 0 0 -64.7 -32.7 -179.8 47.2 111.7 27.2 36 -2.5 44 -2.4 0 0.0 0 0.0 8 28
41 A 41 LEU L H H X TS+ 0 0 -73.5 -32.9 -179.0 58.2 106.9 30.8 37 -1.8 45 -1.9 0 0.0 0 0.0 10 32
42 A 42 HIS H H H X TS+ 0 0 -60.8 -49.6 -179.9 43.6 109.3 17.3 38 -2.3 46 -1.6 0 0.0 0 0.0 11 32
43 A 43 ASP D H H X > TS+ 0 0 -61.8 -51.0 -179.7 47.6 115.1 16.1 39 -2.7 47 -2.4 0 0.0 46 -0.5 9 29
44 A 44 HIS H H H X 3 TS+ 0 0 -62.7 -22.7 -179.9 59.5 105.7 38.5 40 -2.4 48 -1.8 0 0.0 0 0.0 8 30
45 A 45 ALA A H H X 3 TS+ 0 0 -71.2 -33.5 179.2 45.1 109.0 27.5 41 -1.9 49 -2.1 0 0.0 0 0.0 13 33
46 A 46 ASP D H H X <>TS+ 0 0 -75.9 -33.2 -179.9 64.5 102.1 29.9 42 -1.6 50 -3.0 43 -0.5 51 -0.6 12 32
47 A 47 GLU E H H X 5TS+ 0 0 -54.8 -38.5 179.6 43.4 108.3 21.0 43 -2.4 51 -1.4 0 0.0 0 0.0 8 30
48 A 48 LEU L H H X 5TS+ 0 0 -68.0 -48.4 -178.4 46.7 117.4 14.6 44 -1.8 52 -2.0 0 0.0 0 0.0 9 32
49 A 49 TYR Y H H X 5TS+ 0 0 -58.0 -61.4 179.6 46.9 110.9 16.3 45 -2.1 53 -1.8 0 0.0 0 0.0 11 35
50 A 50 ARG R H H X 5TS+ 0 0 -51.3 -39.9 179.6 49.0 115.5 26.8 46 -3.0 54 -1.4 0 0.0 0 0.0 8 31
51 A 51 SER S H H X T + 0 0 -86.2 21.1 180.0 141.7 38.7 80.4 0 0.0 60 -1.6 0 0.0 61 -1.4 10 24
59 A 59 ASP D T T 3 T + 0 0 -63.2 91.1 179.8 67.1 50.3 116.0 0 0.0 0 0.0 0 0.0 0 0.0 9 25
60 A 60 GLY G T T 3 T + 0 0 179.3 -20.5 179.6 88.1 63.5 73.0 58 -1.6 0 0.0 0 0.0 0 0.0 6 18
61 A 61 GLU E S t < TS+ 0 0 -65.6 -26.1 178.9 78.9 80.9 33.6 58 -1.4 63 -0.6 0 0.0 0 0.0 7 14
62 A 62 ASN N 0 0 -83.3 121.9 179.5 999.9 999.9 138.3 0 0.0 0 0.0 0 0.0 0 0.0 6 14
63 A 63 LEU L 0 0 -129.3 999.9 999.9 999.9 999.9 75.0 61 -0.6 0 0.0 0 0.0 0 0.0 3 9
1rprA.pdb
1RPR TRANSCRIPTION REGULATION ROP (REPRESSOR OF PRIMER) (NMR, 10 STRUCTURES) (ESCHERICHIA COLI, STRAIN K14)
author author
Kabs/Sand SHHHHHHHHHHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHHHHHHHHS TTS Kabs/Sand
chirality +-+++++++++++++++++++++++++-++++++++++++++++++++++++++++++++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33X33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHHHHHHHHHHHHh tTTt summary
sequence MTKQEKTALNMARFIRSQTLTLLEKLNELDADEQADICESLHDHADELYRSCLARFGDDGENL sequence
10 20 30 40 50 60