==== 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 2LIU . 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) . 6921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 66.7 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 . 13 13.1 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 93 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.4 -13.2 1.1 -9.3 2 1937 A G + 0 0 80 2,-0.0 2,-0.7 1,-0.0 0, 0.0 -0.394 360.0 131.7 -91.4 53.3 -14.4 4.8 -9.3 3 1938 A L + 0 0 63 -2,-1.1 -1,-0.0 2,-0.0 0, 0.0 -0.901 23.0 158.9-111.9 98.1 -12.9 5.3 -5.8 4 1939 A V - 0 0 124 -2,-0.7 2,-0.3 20,-0.0 -2,-0.0 -0.938 30.3-148.1-125.3 104.1 -10.9 8.5 -5.9 5 1940 A P + 0 0 88 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.585 27.5 162.1 -72.6 129.8 -10.2 10.3 -2.6 6 1941 A R - 0 0 218 -2,-0.3 0, 0.0 3,-0.2 0, 0.0 0.371 57.8-108.8-125.5 -4.6 -10.0 14.1 -3.1 7 1942 A G S S+ 0 0 75 2,-0.3 3,-0.1 0, 0.0 0, 0.0 0.548 83.1 124.2 83.6 11.6 -10.4 15.2 0.5 8 1943 A S S S- 0 0 95 1,-0.3 2,-0.3 2,-0.0 0, 0.0 0.929 86.1 -18.9 -64.1 -47.3 -14.0 16.6 -0.1 9 1944 A H S S- 0 0 163 0, 0.0 -2,-0.3 0, 0.0 -1,-0.3 -0.970 79.7 -87.6-157.2 159.4 -15.4 14.4 2.7 10 1945 A M - 0 0 166 -2,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.097 38.0-119.4 -66.2 163.9 -14.4 11.3 4.7 11 1946 A T - 0 0 96 1,-0.1 -1,-0.1 3,-0.0 3,-0.0 -0.830 26.6-128.6-105.7 143.3 -15.1 7.7 3.6 12 1947 A P - 0 0 107 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 0.085 51.8 -60.4 -76.5-166.9 -17.4 5.5 5.9 13 1948 A Q - 0 0 201 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.626 63.0-159.7 -78.0 79.4 -16.5 1.9 7.1 14 1949 A V - 0 0 64 -2,-1.9 -3,-0.0 1,-0.2 0, 0.0 -0.544 8.0-156.1 -66.1 127.8 -16.2 0.5 3.6 15 1950 A N + 0 0 155 -2,-0.3 -1,-0.2 2,-0.0 -2,-0.0 0.879 69.2 69.9 -69.6 -47.2 -16.6 -3.3 3.9 16 1951 A Q - 0 0 133 1,-0.0 2,-0.2 5,-0.0 -2,-0.0 -0.186 68.9-144.3 -71.5 168.9 -14.8 -4.2 0.6 17 1952 A V - 0 0 57 74,-0.1 78,-0.1 4,-0.0 77,-0.0 -0.713 26.9-176.9-136.4 73.4 -11.1 -3.8 -0.1 18 1953 A N > - 0 0 60 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.319 41.4-102.0 -69.3 167.1 -10.8 -2.8 -3.8 19 1954 A L H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.905 124.7 43.0 -53.8 -52.4 -7.5 -2.4 -5.6 20 1955 A S H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 108.7 58.8 -66.8 -34.7 -7.7 1.4 -5.4 21 1956 A E H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.901 111.8 41.2 -61.3 -40.6 -8.9 1.2 -1.7 22 1957 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.948 111.8 57.4 -70.1 -47.6 -5.7 -0.7 -0.9 23 1958 A K H X S+ 0 0 30 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.885 107.5 45.8 -49.6 -51.7 -3.6 1.6 -3.1 24 1959 A Q H X S+ 0 0 50 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.902 114.5 48.6 -62.6 -41.3 -4.6 4.8 -1.3 25 1960 A V H X S+ 0 0 35 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.951 107.4 55.0 -63.8 -48.9 -4.0 3.1 2.2 26 1961 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.903 106.5 52.2 -50.0 -48.2 -0.5 1.8 1.1 27 1962 A K H X S+ 0 0 25 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.918 111.4 46.6 -54.6 -47.9 0.5 5.4 0.2 28 1963 A Q H X S+ 0 0 102 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.875 112.5 49.0 -62.4 -42.6 -0.6 6.7 3.6 29 1964 A Q H X S+ 0 0 43 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.857 115.5 43.9 -67.0 -40.2 1.2 3.8 5.5 30 1965 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.792 102.7 66.9 -77.4 -27.7 4.4 4.3 3.6 31 1966 A A H ><>S+ 0 0 4 -4,-2.0 5,-2.8 -5,-0.2 3,-0.9 0.945 103.6 44.5 -58.9 -47.5 4.3 8.2 3.9 32 1967 A E H ><5S+ 0 0 158 -4,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.857 109.9 57.0 -64.5 -34.7 4.8 8.0 7.6 33 1968 A A H 3<5S+ 0 0 13 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.697 110.7 43.5 -67.7 -25.5 7.5 5.4 7.1 34 1969 A L T <<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.108 117.6-112.4-105.1 14.5 9.4 7.9 4.8 35 1970 A Y T < 5S+ 0 0 214 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.849 84.8 93.8 56.3 40.6 8.8 10.9 7.2 36 1971 A T S - 0 0 129 -2,-0.2 3,-1.5 -3,-0.1 4,-0.4 -0.911 24.9-129.6-115.2 142.0 2.8 13.0 3.6 38 1973 A E G > S+ 0 0 93 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.741 101.4 78.8 -63.7 -19.9 1.0 10.8 1.0 39 1974 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -11,-0.1 -11,-0.0 0.820 99.2 40.3 -60.3 -29.1 -0.1 14.0 -0.7 40 1975 A E G < S+ 0 0 121 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.560 96.1 98.6 -97.8 -6.2 3.4 14.3 -2.2 41 1976 A I < - 0 0 12 -3,-0.9 2,-0.2 -4,-0.4 -14,-0.0 -0.635 64.0-139.9 -87.7 136.9 3.9 10.5 -3.1 42 1977 A A - 0 0 40 -2,-0.3 3,-0.4 1,-0.1 41,-0.3 -0.531 9.3-137.7 -90.8 158.2 3.2 9.2 -6.6 43 1978 A E S S+ 0 0 60 1,-0.2 41,-1.8 -2,-0.2 40,-0.4 0.744 106.9 37.2 -86.8 -22.5 1.5 5.8 -7.4 44 1979 A D S S+ 0 0 123 38,-0.2 2,-0.4 39,-0.1 -1,-0.2 -0.084 96.3 101.6-115.7 16.5 4.0 5.0 -10.1 45 1980 A Q S S- 0 0 83 -3,-0.4 2,-0.3 36,-0.0 38,-0.3 -0.860 80.5-106.8-102.8 146.9 7.1 6.4 -8.4 46 1981 A K >> - 0 0 107 -2,-0.4 4,-1.3 1,-0.1 3,-0.8 -0.609 12.4-140.6 -79.0 133.8 9.5 4.1 -6.8 47 1982 A F H 3>>S+ 0 0 2 34,-2.6 5,-2.6 -2,-0.3 4,-2.0 0.874 104.6 58.6 -57.1 -39.2 9.5 4.0 -3.0 48 1983 A V H 345S+ 0 0 87 3,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.841 99.3 56.2 -61.7 -34.6 13.3 3.7 -3.1 49 1984 A D H <45S+ 0 0 118 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.885 108.6 47.3 -66.8 -34.8 13.6 6.9 -5.1 50 1985 A L H <5S- 0 0 59 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.878 139.2 -84.0 -72.1 -33.1 11.8 8.7 -2.3 51 1986 A G T <5S+ 0 0 41 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.3 0.415 70.4 157.3 142.6 7.1 14.2 6.9 0.2 52 1987 A L < + 0 0 11 -5,-2.6 -1,-0.1 -6,-0.1 2,-0.1 -0.435 23.3 179.4 -62.5 119.2 12.7 3.4 0.9 53 1988 A D > - 0 0 75 -2,-0.3 4,-2.0 -6,-0.0 5,-0.1 -0.318 44.8 -85.1-112.1-173.4 15.7 1.3 2.1 54 1989 A S H > S+ 0 0 103 2,-0.2 4,-0.7 3,-0.1 -2,-0.1 0.738 125.5 45.7 -67.4 -28.4 16.3 -2.2 3.3 55 1990 A I H >> S+ 0 0 118 2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.950 115.4 43.2 -77.9 -60.5 15.3 -1.4 6.9 56 1991 A V H 3> S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.870 111.2 57.0 -55.9 -40.8 12.1 0.5 6.2 57 1992 A G H 3X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.864 107.0 48.2 -62.6 -36.1 11.1 -2.0 3.5 58 1993 A V H X S+ 0 0 116 -4,-1.9 4,-1.4 2,-0.2 3,-0.9 0.942 116.5 48.3 -71.3 -42.4 9.2 -3.1 8.7 60 1995 A W H 3X S+ 0 0 5 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.876 102.1 62.5 -65.3 -36.5 6.7 -1.7 6.3 61 1996 A T H 3X S+ 0 0 5 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.3 0.827 104.3 51.4 -58.6 -29.5 6.2 -5.1 4.6 62 1997 A T H S+ 0 0 17 -4,-1.2 5,-1.9 -3,-0.5 4,-1.2 0.875 111.8 48.9 -60.2 -42.2 0.3 -8.0 6.2 66 2001 A Q H <5S+ 0 0 155 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.831 109.1 53.9 -69.9 -30.9 -1.3 -7.0 9.4 67 2002 A T H <5S+ 0 0 63 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.901 125.4 21.7 -71.2 -41.1 -3.6 -4.6 7.6 68 2003 A Y H <5S- 0 0 27 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.316 108.8-113.5-109.9 6.5 -5.0 -7.2 5.0 69 2004 A N T <5S+ 0 0 129 -4,-1.2 -3,-0.2 -5,-0.2 2,-0.2 0.971 71.6 126.9 56.9 65.1 -4.2 -10.4 7.1 70 2005 A L < - 0 0 19 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.1 -0.546 60.3-115.4-129.4-169.8 -1.5 -11.8 4.8 71 2006 A N + 0 0 147 -2,-0.2 2,-0.3 -7,-0.0 -9,-0.1 -0.937 47.2 143.0-140.8 113.2 2.1 -13.1 4.8 72 2007 A L - 0 0 23 -2,-0.3 2,-0.2 -11,-0.2 -7,-0.1 -0.920 24.6-157.6-146.5 164.3 4.7 -11.1 2.8 73 2008 A K >> - 0 0 138 -2,-0.3 3,-1.9 -8,-0.0 4,-0.5 -0.713 44.0 -73.0-136.8-172.0 8.3 -10.1 3.1 74 2009 A A H >> S+ 0 0 39 1,-0.3 4,-1.3 -2,-0.2 3,-0.8 0.802 117.4 72.8 -56.8 -32.3 11.0 -7.7 2.0 75 2010 A T H 3> S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.794 88.0 64.3 -56.4 -29.5 11.1 -9.3 -1.4 76 2011 A K H X> S+ 0 0 19 -3,-1.9 4,-2.7 2,-0.2 3,-0.6 0.932 98.9 50.8 -60.7 -47.5 7.7 -7.6 -2.1 77 2012 A L H << S+ 0 0 16 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.859 112.5 48.6 -56.6 -37.9 9.2 -4.1 -1.9 78 2013 A Y H 3< S+ 0 0 216 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.732 114.6 43.9 -75.0 -26.5 11.9 -5.3 -4.3 79 2014 A D H << S+ 0 0 95 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.816 126.7 28.3 -88.0 -33.3 9.3 -6.8 -6.8 80 2015 A Y < + 0 0 40 -4,-2.7 -1,-0.3 -5,-0.2 6,-0.1 -0.772 63.0 172.8-130.4 82.1 6.8 -3.9 -6.7 81 2016 A P + 0 0 16 0, 0.0 -34,-2.6 0, 0.0 2,-0.3 0.429 67.7 59.6 -71.2 1.0 8.6 -0.7 -5.9 82 2017 A T S > S- 0 0 1 -36,-0.2 4,-2.4 -35,-0.1 3,-0.2 -0.923 85.0-121.8-129.4 157.5 5.3 1.3 -6.6 83 2018 A L H > S+ 0 0 0 -40,-0.4 4,-2.9 -41,-0.3 5,-0.3 0.814 106.9 65.8 -63.1 -36.9 1.8 1.2 -5.0 84 2019 A L H > S+ 0 0 62 -41,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.933 113.9 28.7 -53.3 -54.9 0.2 0.4 -8.4 85 2020 A E H > S+ 0 0 74 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.880 119.2 57.2 -75.2 -39.9 1.9 -3.1 -8.6 86 2021 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.934 112.1 41.4 -55.5 -53.4 2.1 -3.6 -4.8 87 2022 A S H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.835 107.2 64.4 -61.8 -38.5 -1.6 -3.2 -4.4 88 2023 A G H X S+ 0 0 29 -4,-1.2 4,-0.6 -5,-0.3 -1,-0.2 0.883 108.8 39.4 -54.4 -45.1 -2.2 -5.3 -7.6 89 2024 A Y H >X S+ 0 0 100 -4,-1.8 3,-1.4 -3,-0.3 4,-1.4 0.966 114.5 51.4 -72.1 -53.6 -0.7 -8.3 -5.8 90 2025 A I H 3X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.3 3,-0.5 0.878 103.4 59.2 -50.4 -50.0 -2.2 -7.7 -2.3 91 2026 A A H 3X S+ 0 0 16 -4,-2.9 4,-1.0 1,-0.2 -1,-0.3 0.769 107.4 47.7 -52.5 -33.3 -5.7 -7.4 -3.8 92 2027 A Q H X S+ 0 0 34 -4,-1.4 4,-2.3 -3,-0.5 3,-1.6 0.990 113.6 40.1 -64.6 -55.8 -4.1 -12.5 -2.0 94 2029 A L H 3X S+ 0 0 41 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.829 113.2 56.8 -63.7 -29.7 -7.0 -11.3 0.2 95 2030 A S H 3< S+ 0 0 65 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.635 111.3 43.3 -75.3 -14.9 -9.4 -12.1 -2.7 96 2031 A S H X< S+ 0 0 86 -3,-1.6 3,-1.4 -4,-0.7 -2,-0.2 0.789 106.1 59.7 -97.2 -34.8 -8.1 -15.7 -2.6 97 2032 A Q H 3< S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.675 111.3 42.9 -66.7 -18.6 -8.1 -16.1 1.2 98 2033 A G T 3< 0 0 70 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.1 0.190 360.0 360.0-110.8 9.5 -11.9 -15.4 1.2 99 2034 A T < 0 0 153 -3,-1.4 0, 0.0 -5,-0.0 0, 0.0 -0.930 360.0 360.0-121.4 360.0 -13.0 -17.5 -1.9