==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-11 2LIW . COMPND 2 MOLECULE: CURA; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR A.E.BUSCHE,D.GOTTSTEIN,C.HEIN,N.RIPIN,I.PADER,P.TUFAR,E.B.EI . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1936 A S 0 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.7 16.1 5.5 -6.6 2 1937 A G + 0 0 64 1,-0.2 2,-0.4 2,-0.0 23,-0.0 0.561 360.0 44.0 -70.0 -8.3 13.4 2.9 -5.8 3 1938 A L + 0 0 23 8,-0.1 -1,-0.2 2,-0.0 8,-0.2 -0.890 65.5 164.5-137.9 100.5 12.3 5.0 -2.8 4 1939 A V - 0 0 104 -2,-0.4 6,-0.1 -3,-0.1 5,-0.1 -0.844 17.0-173.8-121.7 90.8 12.1 8.8 -3.5 5 1940 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.225 35.6-116.0 -77.4 171.5 10.1 10.4 -0.7 6 1941 A R S S- 0 0 143 32,-0.1 33,-0.1 1,-0.1 32,-0.0 0.847 100.7 -25.2 -77.3 -32.1 9.0 14.1 -0.6 7 1942 A G S S+ 0 0 73 2,-0.1 -1,-0.1 0, 0.0 2,-0.0 0.291 111.5 101.6-163.6 5.7 11.1 14.8 2.5 8 1943 A S S S- 0 0 62 1,-0.2 2,-0.2 0, 0.0 0, 0.0 -0.117 77.0 -80.0 -85.3-173.7 11.7 11.5 4.4 9 1944 A H - 0 0 125 -5,-0.1 2,-0.2 -2,-0.0 -1,-0.2 -0.518 34.6-138.8 -89.0 164.9 14.9 9.3 4.3 10 1945 A M - 0 0 120 -2,-0.2 -6,-0.1 -6,-0.1 -1,-0.0 -0.675 18.5-124.3-113.5 166.7 16.0 6.8 1.6 11 1946 A T - 0 0 49 -2,-0.2 3,-0.1 -8,-0.2 -8,-0.1 -0.784 15.5-124.7-116.4 159.4 17.7 3.4 2.1 12 1947 A P - 0 0 104 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.183 69.9 -29.0 -81.3-159.2 21.0 1.9 0.8 13 1948 A Q S S+ 0 0 195 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.489 70.9 166.1 -63.0 105.7 21.4 -1.4 -1.1 14 1949 A V + 0 0 45 -2,-0.7 4,-0.1 -3,-0.1 -3,-0.1 -0.958 13.4 175.6-128.0 98.5 18.5 -3.4 0.3 15 1950 A N + 0 0 166 -2,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.574 61.6 79.3 -79.7 -18.3 18.0 -6.5 -2.0 16 1951 A Q S S- 0 0 157 1,-0.0 2,-1.3 0, 0.0 79,-0.1 -0.452 99.3 -97.5 -84.6 166.5 15.2 -7.8 0.3 17 1952 A V - 0 0 42 74,-0.2 78,-0.2 -2,-0.1 2,-0.1 -0.694 50.0-167.5 -93.3 87.4 11.6 -6.4 0.3 18 1953 A N >> - 0 0 54 -2,-1.3 4,-1.2 -4,-0.1 3,-1.0 -0.421 32.7-109.6 -71.5 155.1 11.8 -3.9 3.2 19 1954 A L H 3> S+ 0 0 58 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.843 117.6 56.8 -52.1 -45.4 8.6 -2.3 4.7 20 1955 A S H 3> S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.833 99.8 60.8 -60.6 -34.4 9.5 1.1 3.3 21 1956 A E H <> S+ 0 0 59 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.973 113.2 33.8 -58.1 -53.4 9.5 -0.4 -0.3 22 1957 A I H X S+ 0 0 0 -4,-1.2 4,-3.4 2,-0.2 5,-0.2 0.911 117.9 55.1 -70.2 -42.6 5.9 -1.5 -0.2 23 1958 A K H X S+ 0 0 26 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.939 112.8 40.9 -57.5 -50.9 4.8 1.4 2.0 24 1959 A Q H X S+ 0 0 19 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.862 116.0 50.7 -67.4 -33.3 6.2 4.0 -0.4 25 1960 A V H X S+ 0 0 35 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.976 109.7 50.8 -65.1 -50.9 4.9 2.0 -3.5 26 1961 A L H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.770 104.7 59.9 -56.5 -30.8 1.5 1.8 -1.8 27 1962 A K H X S+ 0 0 16 -4,-1.4 4,-3.0 2,-0.2 3,-0.2 0.973 107.7 42.1 -63.4 -56.2 1.6 5.7 -1.3 28 1963 A Q H X S+ 0 0 84 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.909 117.3 49.6 -53.6 -44.0 1.9 6.3 -5.1 29 1964 A Q H X S+ 0 0 23 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.773 112.9 46.5 -64.2 -36.9 -0.7 3.7 -5.7 30 1965 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 -3,-0.2 -2,-0.2 0.929 111.2 49.7 -75.4 -47.1 -3.1 5.2 -3.0 31 1966 A A H <>S+ 0 0 1 -4,-3.0 5,-3.0 1,-0.2 3,-0.4 0.915 114.2 45.4 -60.2 -43.5 -2.7 8.8 -4.2 32 1967 A E H ><5S+ 0 0 108 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.900 111.1 52.8 -66.7 -38.0 -3.4 7.8 -7.8 33 1968 A A H 3<5S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.722 115.2 42.7 -67.3 -22.3 -6.4 5.6 -6.8 34 1969 A L T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.222 114.1-118.0-104.6 6.8 -7.7 8.6 -4.9 35 1970 A Y T < 5S+ 0 0 226 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.856 77.7 106.5 56.2 42.1 -6.9 11.1 -7.7 36 1971 A T S > - 0 0 133 -2,-0.2 3,-1.9 -3,-0.1 4,-0.7 -0.693 24.5-128.5 -95.8 149.9 -0.8 13.8 -4.9 38 1973 A E T 34 S+ 0 0 77 -2,-0.3 -32,-0.1 1,-0.3 3,-0.1 0.696 104.4 78.5 -66.7 -18.8 1.6 11.8 -2.9 39 1974 A S T 34 S+ 0 0 75 1,-0.2 -1,-0.3 -33,-0.1 0, 0.0 0.608 96.9 44.2 -66.7 -10.6 2.4 15.1 -1.1 40 1975 A E T <4 S+ 0 0 76 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.682 92.8 98.3-106.5 -23.0 -0.9 14.6 0.9 41 1976 A I < - 0 0 0 -4,-0.7 2,-0.3 -3,-0.1 -14,-0.1 -0.350 52.6-163.4 -74.6 143.7 -0.5 10.9 1.8 42 1977 A A - 0 0 13 3,-0.1 41,-0.5 -2,-0.1 3,-0.1 -0.851 24.0-135.8-121.3 161.7 0.8 9.7 5.2 43 1978 A E S S+ 0 0 50 -2,-0.3 41,-2.3 1,-0.2 42,-0.3 0.684 108.9 36.6 -87.4 -23.6 2.1 6.3 6.3 44 1979 A D S S+ 0 0 116 39,-0.2 2,-0.3 38,-0.2 -1,-0.2 0.177 97.2 99.6-114.0 4.9 0.2 6.4 9.5 45 1980 A Q S S- 0 0 70 -3,-0.1 38,-0.4 1,-0.0 2,-0.3 -0.746 80.1-105.1-100.4 147.5 -3.0 8.2 8.3 46 1981 A K >> - 0 0 108 -2,-0.3 3,-1.8 1,-0.1 4,-0.9 -0.581 20.8-131.9 -73.0 132.4 -6.2 6.3 7.4 47 1982 A F H >>>S+ 0 0 2 34,-2.7 5,-2.4 -2,-0.3 4,-0.9 0.798 106.5 64.8 -50.7 -36.3 -6.9 6.0 3.7 48 1983 A V H >45S+ 0 0 89 3,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.861 98.7 52.7 -58.5 -35.2 -10.5 7.1 4.3 49 1984 A D H <45S+ 0 0 115 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.790 106.7 52.0 -70.3 -28.7 -9.1 10.5 5.5 50 1985 A L H <<5S- 0 0 12 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.676 139.6 -87.2 -77.8 -17.7 -7.1 10.7 2.2 51 1986 A G T <<5S+ 0 0 35 -4,-0.9 2,-0.7 -3,-0.5 -3,-0.3 0.480 70.2 160.8 122.5 13.5 -10.6 10.0 0.5 52 1987 A L < - 0 0 12 -5,-2.4 2,-0.2 -6,-0.1 -1,-0.2 -0.516 17.3-171.6 -70.2 108.4 -10.8 6.1 0.4 53 1988 A D > - 0 0 106 -2,-0.7 4,-2.8 1,-0.1 5,-0.2 -0.609 39.7-100.3 -93.7 164.6 -14.4 5.2 -0.0 54 1989 A S H > S+ 0 0 69 1,-0.2 4,-1.0 -2,-0.2 -1,-0.1 0.709 124.3 45.4 -54.8 -31.8 -15.8 1.6 0.2 55 1990 A I H > S+ 0 0 125 2,-0.2 4,-2.1 3,-0.1 3,-0.3 0.926 112.8 48.5 -77.4 -50.4 -15.8 1.2 -3.6 56 1991 A V H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.874 110.0 54.7 -57.5 -37.5 -12.3 2.7 -4.1 57 1992 A G H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.898 109.2 45.5 -65.3 -43.5 -11.0 0.4 -1.4 58 1993 A V H < S+ 0 0 73 -4,-1.0 4,-0.5 -3,-0.3 -1,-0.2 0.843 115.8 45.5 -71.8 -33.5 -12.3 -2.8 -3.0 59 1994 A E H >X S+ 0 0 112 -4,-2.1 3,-1.1 1,-0.2 4,-0.8 0.915 112.1 51.8 -75.9 -38.7 -11.1 -1.8 -6.5 60 1995 A W H >X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.3 3,-0.5 0.842 96.2 67.6 -66.8 -34.0 -7.6 -0.7 -5.2 61 1996 A T H 3X S+ 0 0 4 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.822 97.6 56.6 -55.8 -28.9 -7.0 -4.0 -3.3 62 1997 A T H <> S+ 0 0 65 -3,-1.1 4,-2.4 -4,-0.5 -1,-0.2 0.913 97.5 59.9 -69.5 -39.5 -6.8 -5.6 -6.8 63 1998 A T H S+ 0 0 21 -4,-1.3 5,-1.9 2,-0.2 4,-1.6 0.928 113.1 43.2 -61.2 -45.8 -2.6 -8.2 -6.0 66 2001 A Q H <5S+ 0 0 157 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.905 111.2 56.3 -65.3 -40.9 -1.5 -7.7 -9.5 67 2002 A T H <5S+ 0 0 64 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.891 124.5 21.4 -59.6 -42.4 1.5 -5.7 -8.4 68 2003 A Y H <5S- 0 0 39 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.432 105.0-114.8-109.6 1.6 2.8 -8.6 -6.2 69 2004 A N T <5S+ 0 0 149 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.895 75.9 125.6 62.3 44.1 1.0 -11.6 -7.8 70 2005 A L < - 0 0 36 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.363 61.3-114.4-114.3-169.9 -1.0 -12.2 -4.6 71 2006 A N + 0 0 139 -2,-0.1 2,-0.3 -3,-0.1 -9,-0.1 -0.925 44.7 142.4-143.2 114.4 -4.6 -12.5 -3.5 72 2007 A L - 0 0 17 -2,-0.3 2,-0.2 -11,-0.2 -7,-0.1 -0.870 23.9-160.0-144.2 163.2 -6.3 -9.9 -1.2 73 2008 A K >> - 0 0 133 -2,-0.3 3,-1.9 -8,-0.0 4,-0.6 -0.760 47.6 -73.3-137.4-176.5 -9.7 -8.3 -0.9 74 2009 A A H 3> S+ 0 0 23 1,-0.3 4,-0.9 -2,-0.2 3,-0.4 0.745 117.8 78.1 -57.0 -24.0 -11.5 -5.2 0.6 75 2010 A T H >> S+ 0 0 67 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.869 88.9 57.0 -54.9 -35.6 -11.1 -6.9 4.0 76 2011 A K H X> S+ 0 0 30 -3,-1.9 4,-3.0 1,-0.2 3,-1.1 0.934 101.7 53.8 -60.9 -46.8 -7.4 -5.7 3.9 77 2012 A L H 3< S+ 0 0 8 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.653 112.6 45.7 -61.6 -18.7 -8.5 -2.0 3.4 78 2013 A Y H << S+ 0 0 140 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.532 118.5 39.4-101.7 -12.5 -10.6 -2.4 6.6 79 2014 A D H << S+ 0 0 96 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.2 0.714 127.3 32.7-104.7 -28.7 -8.0 -4.2 8.7 80 2015 A Y < + 0 0 62 -4,-3.0 -1,-0.2 -5,-0.2 6,-0.2 -0.756 63.9 165.4-130.0 76.9 -5.0 -2.1 7.5 81 2016 A P + 0 0 30 0, 0.0 -34,-2.7 0, 0.0 2,-0.3 0.408 61.7 67.3 -75.0 0.4 -6.3 1.4 6.8 82 2017 A T S > S- 0 0 11 -36,-0.2 4,-2.9 -35,-0.1 5,-0.2 -0.876 85.5-121.0-121.4 158.5 -2.6 2.8 6.7 83 2018 A L H > S+ 0 0 0 -41,-0.5 4,-2.6 -38,-0.4 5,-0.2 0.855 113.2 56.1 -63.1 -38.1 0.3 2.2 4.3 84 2019 A L H > S+ 0 0 74 -41,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.854 114.1 39.0 -64.6 -37.6 2.5 0.9 7.2 85 2020 A E H > S+ 0 0 94 -42,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.942 117.6 47.9 -75.1 -48.9 -0.1 -1.8 8.1 86 2021 A L H X S+ 0 0 6 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.868 116.8 44.8 -60.3 -38.3 -1.0 -2.6 4.4 87 2022 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.878 105.0 62.2 -73.9 -38.9 2.7 -2.8 3.6 88 2023 A G H X S+ 0 0 20 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.896 104.8 46.4 -54.8 -47.0 3.6 -4.9 6.7 89 2024 A Y H X S+ 0 0 97 -4,-1.7 4,-1.2 1,-0.2 3,-0.4 0.948 116.2 44.0 -62.4 -50.8 1.4 -7.8 5.7 90 2025 A I H X S+ 0 0 2 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.852 104.0 66.1 -62.9 -37.4 2.7 -7.8 2.1 91 2026 A A H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.889 102.9 47.4 -51.3 -46.4 6.4 -7.4 3.2 92 2027 A Q H X S+ 0 0 121 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.2 0.878 111.8 48.9 -64.9 -42.2 6.2 -10.8 4.8 93 2028 A I H >X S+ 0 0 39 -4,-1.2 4,-1.9 2,-0.2 3,-0.5 0.966 116.2 42.7 -63.4 -51.0 4.7 -12.5 1.8 94 2029 A L H 3X S+ 0 0 32 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.911 113.3 51.6 -62.1 -44.4 7.3 -10.9 -0.6 95 2030 A S H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.757 115.3 44.8 -65.1 -21.5 10.2 -11.6 1.8 96 2031 A S H X< S+ 0 0 73 -4,-1.3 3,-0.6 -3,-0.5 -2,-0.2 0.705 96.0 71.7 -95.2 -23.2 8.9 -15.3 1.9 97 2032 A Q H 3< S+ 0 0 136 -4,-1.9 2,-0.5 1,-0.3 -2,-0.2 0.794 106.4 41.6 -63.1 -28.0 8.4 -15.7 -1.9 98 2033 A G T 3< 0 0 65 -4,-0.8 -1,-0.3 -3,-0.0 -4,-0.0 -0.722 360.0 360.0-117.3 70.1 12.1 -15.8 -2.2 99 2034 A T < 0 0 167 -3,-0.6 -3,-0.1 -2,-0.5 -4,-0.0 -0.582 360.0 360.0 -64.2 360.0 13.0 -17.9 0.8