Secondary structure calculation program - copyright by David Keith Smith, 1989 1dp7P.pdb 1DP7 TRANSCRIPTION/DNA MOL_ID: 1; MOL_ID: 1; Sequence length - 76 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 P 1 THR T h > T 0 0 999.9 2.8 179.1 999.9 999.9 999.9 0 0.0 5 -2.3 0 0.0 0 0.0 4 37 2 P 2 VAL V H H > T + 0 0 -59.2 -49.7 -179.6 42.8 999.9 16.7 0 0.0 6 -2.6 0 0.0 0 0.0 7 31 3 P 3 GLN Q H H > TS+ 0 0 -68.0 -34.7 177.4 54.9 110.9 24.4 0 0.0 7 -2.4 0 0.0 0 0.0 6 22 4 P 4 TRP W H H > TS+ 0 0 -61.2 -41.0 179.6 48.7 109.9 20.3 0 0.0 8 -1.5 0 0.0 0 0.0 7 34 5 P 5 LEU L H H X > TS+ 0 0 -62.0 -48.4 -179.2 47.7 111.8 15.0 1 -2.3 9 -2.7 0 0.0 8 -0.6 10 41 6 P 6 LEU L H H < 3 TS+ 0 0 -62.6 -32.0 178.6 52.0 111.4 32.8 2 -2.6 0 0.0 0 0.0 0 0.0 9 27 7 P 7 ASP D H H < 3 TS+ 0 0 -74.9 -22.8 -177.3 32.1 120.7 41.0 3 -2.4 0 0.0 0 0.0 0 0.0 8 22 8 P 8 ASN N H H < < TS+ 0 0 -110.8 -18.2 -177.8 31.2 121.4 46.4 4 -1.5 75 -2.9 5 -0.6 0 0.0 9 30 9 P 9 TYR Y E EAA T - 68 0 -63.5 141.8 179.2 -132.4 26.2 118.2 0 0.0 22 -1.5 0 0.0 0 0.0 10 35 19 P 19 ARG R H H > TS+ 0 0 -63.4 -36.6 -177.9 58.4 100.6 27.0 67 -2.5 23 -2.7 0 0.0 0 0.0 9 42 20 P 20 SER S H H > TS+ 0 0 -61.6 -43.7 -176.4 46.9 104.5 25.5 0 0.0 24 -3.2 0 0.0 0 0.0 7 35 21 P 21 THR T H H > TS+ 0 0 -70.7 -32.0 177.2 50.7 113.1 25.2 0 0.0 25 -2.1 0 0.0 0 0.0 8 30 22 P 22 LEU L H H X TS+ 0 0 -67.1 -45.5 -180.0 43.3 114.0 16.7 18 -1.5 26 -2.3 0 0.0 0 0.0 9 52 23 P 23 TYR Y H H X TS+ 0 0 -66.3 -38.6 177.1 55.4 112.0 25.2 19 -2.7 27 -2.3 0 0.0 0 0.0 10 41 24 P 24 ASN N H H X TS+ 0 0 -59.8 -38.6 177.4 49.3 106.9 28.3 20 -3.2 28 -1.6 0 0.0 0 0.0 8 34 25 P 25 HIS H H H X TS+ 0 0 -65.4 -44.7 177.6 52.8 109.5 23.3 21 -2.1 29 -2.4 0 0.0 0 0.0 8 37 26 P 26 TYR Y H H X TS+ 0 0 -56.7 -39.2 -179.0 54.4 105.5 26.0 22 -2.3 30 -2.7 0 0.0 0 0.0 9 40 27 P 27 LEU L H H X TS+ 0 0 -66.2 -34.8 177.3 48.8 108.2 28.2 23 -2.3 31 -2.5 0 0.0 0 0.0 9 31 28 P 28 LEU L H H X TS+ 0 0 -67.6 -43.1 179.0 49.3 111.8 21.0 24 -1.6 32 -3.3 0 0.0 0 0.0 8 25 29 P 29 HIS H H H X TS+ 0 0 -58.6 -44.3 -178.0 49.0 111.9 22.5 25 -2.4 33 -2.3 0 0.0 0 0.0 8 28 30 P 30 SER S H H < >TS+ 0 0 -62.4 -48.6 -179.3 44.6 114.1 18.8 26 -2.7 35 -3.0 0 0.0 0 0.0 11 27 31 P 31 GLN Q H H < >5TS+ 0 0 -62.2 -46.3 -179.6 49.4 114.4 22.4 27 -2.5 34 -1.2 0 0.0 0 0.0 10 18 32 P 32 GLU E H H < 35TS+ 0 0 -63.8 -33.2 180.0 42.6 115.6 32.5 28 -3.3 0 0.0 0 0.0 0 0.0 7 15 33 P 33 GLN Q T h < 35TS- 0 0 -95.6 10.3 -179.3 -116.7 112.3 73.0 29 -2.3 0 0.0 0 0.0 0 0.0 6 18 34 P 34 LYS K T T <5T + 0 0 55.6 46.3 178.9 141.3 67.2 24.8 31 -1.2 0 0.0 0 0.0 0 0.0 6 14 35 P 35 LEU L t T - 0 0 -80.3 175.6 -174.8 -94.9 39.2 100.7 0 0.0 43 -2.7 0 0.0 0 0.0 6 26 40 P 40 ALA A H H > TS+ 0 0 -61.8 -35.5 179.7 50.4 123.8 28.7 0 0.0 44 -1.8 0 0.0 0 0.0 7 28 41 P 41 ALA A H H > TS+ 0 0 -67.8 -47.2 178.9 45.9 112.8 20.2 0 0.0 45 -1.7 0 0.0 0 0.0 6 23 42 P 42 SER S H H > TS+ 0 0 -62.3 -36.3 179.1 55.1 110.4 27.8 0 0.0 46 -2.4 0 0.0 0 0.0 8 24 43 P 43 PHE F H H X TS+ 0 0 -66.5 -35.7 176.3 55.2 103.2 28.4 39 -2.7 47 -2.9 0 0.0 0 0.0 10 37 44 P 44 GLY G H H X TS+ 0 0 -61.8 -37.8 179.5 50.0 107.6 26.7 40 -1.8 48 -1.8 0 0.0 0 0.0 8 39 45 P 45 LYS K H H X TS+ 0 0 -65.2 -41.9 -178.2 48.4 112.2 19.2 41 -1.7 49 -0.9 0 0.0 0 0.0 8 27 46 P 46 LEU L H H X > TS+ 0 0 -63.7 -47.0 -173.9 48.6 110.3 17.8 42 -2.4 49 -1.1 0 0.0 50 -0.8 9 31 47 P 47 ILE I H H X > TS+ 0 0 -68.8 -30.9 178.8 51.7 109.5 30.8 43 -2.9 51 -2.9 0 0.0 50 -0.7 9 49 48 P 48 ARG R H H < 3 TS+ 0 0 -77.1 -13.6 178.1 57.3 105.0 47.5 44 -1.8 0 0.0 0 0.0 0 0.0 10 33 49 P 49 SER S H H < < TS+ 0 0 -85.7 -12.9 -177.8 36.1 116.8 51.5 46 -1.1 0 0.0 45 -0.9 0 0.0 7 25 50 P 50 VAL V H H < < TS+ 0 0 -103.8 -46.5 -179.7 45.9 117.6 36.5 46 -0.8 52 -0.7 47 -0.7 0 0.0 9 30 51 P 51 PHE F S h < > TS- 0 0 -108.0 111.4 -178.1 -147.6 79.0 156.2 47 -2.9 54 -0.7 0 0.0 0 0.0 9 38 52 P 52 MET M T T 3 TS+ 0 0 -77.3 140.4 175.5 17.9 72.5 119.8 50 -0.7 0 0.0 0 0.0 0 0.0 7 25 53 P 53 GLY G T T 3 TS+ 0 0 82.2 12.0 179.5 164.0 72.8 51.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27 54 P 54 LEU L t < T - 0 0 -66.7 142.3 179.0 -150.8 22.8 114.0 51 -0.7 0 0.0 0 0.0 0 0.0 11 35 55 P 55 ARG R E E AB - 70 0 -111.3 161.0 -177.8 -120.7 9.8 134.4 70 -2.5 70 -3.0 0 0.0 0 0.0 7 32 56 P 56 THR T E E AB + 69 0 -105.1 130.4 172.2 165.1 34.0 153.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33 57 P 57 ARG R E E AB - 68 0 -134.5 160.3 176.0 -146.8 27.0 160.1 68 -1.7 68 -2.9 0 0.0 0 0.0 8 27 58 P 58 ARG R E E AB - 67 0 -129.9 107.4 -173.9 -172.5 26.0 161.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23 59 P 59 LEU L E E AB + 66 0 -107.7 144.2 -179.2 73.1 31.0 142.8 66 -2.1 66 -2.3 0 0.0 0 0.0 9 24 60 P 60 GLY G S S S- 0 0 138.9 166.8 179.2 -61.6 77.3 129.7 0 0.0 0 0.0 0 0.0 0 0.0 8 19 61 P 61 THR T S t > TS- 0 0 -76.4 165.6 -179.0 -60.9 79.2 103.2 0 0.0 64 -2.8 0 0.0 0 0.0 6 11 62 P 62 ARG R T T 3 TS+ 0 0 -50.7 134.8 -179.8 13.8 127.8 101.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10 63 P 63 GLY G T T 3 TS+ 0 0 82.1 -5.4 -176.2 70.6 121.8 73.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9 64 P 64 ASN N t < T + 0 0 -128.2 15.6 179.2 141.5 60.2 81.7 61 -2.8 0 0.0 0 0.0 0 0.0 7 13 65 P 65 SER S - 0 0 -61.8 138.8 178.2 -171.0 28.0 113.7 0 0.0 0 0.0 0 0.0 0 0.0 9 18 66 P 66 LYS K E E A B - 0 59 -134.9 141.4 -178.9 -101.5 26.6 167.3 59 -2.3 59 -2.1 0 0.0 0 0.0 8 23 67 P 67 TYR Y E E A B - 0 58 -66.0 139.9 176.9 -174.9 38.0 112.5 0 0.0 19 -2.5 0 0.0 0 0.0 11 32 68 P 68 HIS H E E AAB - 18 57 -129.1 150.4 171.6 -127.6 29.9 160.2 57 -2.9 57 -1.7 0 0.0 70 -0.7 12 41 69 P 69 TYR Y E E AAB - 17 56 -93.4 117.1 -178.2 -150.4 34.7 155.3 17 -2.6 17 -2.0 0 0.0 0 0.0 13 46 70 P 70 TYR Y E E AAB S+ 16 55 -96.6 129.0 -177.7 36.8 74.5 148.6 55 -3.0 55 -2.5 68 -0.7 0 0.0 12 35 71 P 71 GLY G E E A* S+ 0 0 103.5 26.4 -176.4 98.9 95.7 48.5 15 -3.1 12 -1.5 0 0.0 0 0.0 13 32 72 P 72 LEU L E E AA + 11 0 -142.9 148.0 175.4 174.0 40.8 169.2 15 -0.9 0 0.0 0 0.0 0 0.0 14 40 73 P 73 ARG R E E AA - 10 0 -149.3 164.7 175.5 -84.5 43.5 165.6 10 -2.1 10 -2.2 0 0.0 0 0.0 11 37 74 P 74 ILE I E E AA - 9 0 -66.0 136.2 179.9 -166.8 34.3 118.9 0 0.0 0 0.0 0 0.0 0 0.0 7 34 75 P 75 LYS K e 0 0 -87.4 -59.4 179.0 999.9 999.9 25.5 8 -2.9 0 0.0 0 0.0 0 0.0 7 22 76 P 76 ALA A 0 0 -121.0 999.9 999.9 999.9 999.9 52.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17 1dp7P.pdb 1DP7 TRANSCRIPTION/DNA MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand HHHHHHHEEEEEEEEEEHHHHHHHHHHHHHHTT HHHHHHHHHHHSTT EEEEESSTT EEEEEEEEE Kabs/Sand chirality +++++++--+--+----++++++++++++++-+-----+++++++++++-++--+--+--+++-----+++-- chirality bends SSSSSS SS SSSSSSSSSSSSSSS SSSSSSSSSSSSSS SSSS SS bends turns TTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTT turns 5-turns >5555< 5-turns 3-turns >33< >33< >>3<<>33< >33< 3-turns bridge-2 BBBBB bridge-2 bridge-1 AAA****AAA BBBBB AAA*AAA bridge-1 sheets AAAAAAAAAA AAAAA AAAAAAAAA sheets 4-turns >>>>X<<<< >>>>XXXXXXXX<<<< >>>>XXXXX<<<< 4-turns summary hHHHHHHHEEEEEEEEEEHHHHHHHHHHHHHHhTt hHHHHHHHHHHHhTTtEEEEEStTTt EEEEEEEEEe summary sequence TVQWLLDNYETAEGVSLPRSTLYNHYLLHSQEQKLEPVNAASFGKLIRSVFMGLRTRRLGTRGNSKYHYYGLRIKA sequence 10 20 30 40 50 60 70