==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-11 2L9F . COMPND 2 MOLECULE: CALE8; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR J.LIM,D.YANG,Z.X.LIANG,R.KONG,E.MURUGAN,C.L.HO . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 52.0 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 . 2 2.0 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 0 0 0 0 0 0 0 0 1 1 0 1 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 . 1 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 1 A M 0 0 210 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.4 -14.2 -4.6 -20.7 2 2 A A + 0 0 91 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.710 360.0 32.4-107.4 -33.0 -16.4 -4.6 -17.6 3 3 A R - 0 0 131 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.797 67.8-132.1-123.4 166.1 -14.8 -1.9 -15.6 4 4 A A S S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.791 102.0 59.7 -85.9 -31.7 -13.0 1.4 -16.4 5 5 A D S S+ 0 0 89 11,-0.0 -1,-0.1 6,-0.0 0, 0.0 0.989 77.6 164.5 -59.6 -64.3 -10.0 0.7 -14.0 6 6 A D - 0 0 71 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.255 50.8 -32.0 61.9 164.9 -8.8 -2.5 -15.7 7 7 A T S S+ 0 0 63 25,-0.1 25,-0.1 3,-0.0 10,-0.1 -0.014 116.7 7.8 -47.1 153.7 -5.4 -4.0 -15.0 8 8 A A S S- 0 0 47 23,-0.4 5,-0.1 8,-0.1 12,-0.0 -0.101 120.3 -13.5 64.6-167.8 -2.6 -1.6 -14.3 9 9 A L - 0 0 68 3,-0.1 5,-0.2 1,-0.1 6,-0.0 -0.317 58.3-137.6 -65.7 146.2 -3.2 2.1 -13.7 10 10 A P S S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.937 80.6 -30.4 -69.8 -49.2 -6.6 3.5 -14.8 11 11 A A S S- 0 0 86 -3,-0.0 -2,-0.1 0, 0.0 -6,-0.0 0.410 131.1 -4.5-132.5 -84.1 -5.3 6.7 -16.4 12 12 A A S S- 0 0 82 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.926 126.9 -47.6 -85.8 -54.1 -2.1 8.4 -15.2 13 13 A T - 0 0 76 -5,-0.1 4,-0.4 0, 0.0 5,-0.1 0.396 65.4-151.2-148.8 -49.1 -1.2 6.2 -12.2 14 14 A G >> - 0 0 27 -5,-0.2 4,-1.5 3,-0.1 3,-1.4 0.779 25.7-116.2 66.3 116.9 -4.2 5.7 -10.0 15 15 A A H 3> S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.813 115.3 65.4 -50.8 -32.1 -3.6 5.1 -6.2 16 16 A L H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.899 102.5 45.6 -58.5 -42.5 -5.1 1.7 -6.8 17 17 A E H <> S+ 0 0 24 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.2 0.835 108.0 59.1 -70.4 -33.3 -2.2 0.7 -9.0 18 18 A L H X S+ 0 0 27 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.955 111.2 38.7 -60.3 -52.6 0.3 2.2 -6.5 19 19 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.958 118.5 47.4 -63.3 -53.2 -0.7 -0.0 -3.7 20 20 A R H X S+ 0 0 18 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.878 113.5 50.6 -56.2 -39.9 -1.2 -3.1 -5.8 21 21 A H H X S+ 0 0 53 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.968 111.1 45.4 -63.5 -55.2 2.2 -2.5 -7.5 22 22 A L H X S+ 0 0 30 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.859 117.8 46.5 -57.1 -36.7 4.1 -2.1 -4.2 23 23 A V H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.934 112.2 48.4 -71.8 -48.1 2.3 -5.2 -2.9 24 24 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 3,-0.8 0.936 114.2 45.7 -57.8 -49.7 2.9 -7.3 -6.0 25 25 A E H ><5S+ 0 0 122 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.819 112.5 52.1 -63.9 -31.2 6.6 -6.4 -6.2 26 26 A R H 3<5S+ 0 0 135 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.657 105.4 55.8 -78.8 -16.6 6.8 -7.0 -2.4 27 27 A A T <<5S- 0 0 17 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.322 120.2-108.0 -96.2 6.1 5.3 -10.5 -3.0 28 28 A E T < 5S+ 0 0 179 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.854 87.6 99.1 70.2 35.7 7.9 -11.4 -5.5 29 29 A L S - 0 0 168 -2,-0.4 3,-1.1 1,-0.1 43,-0.3 -0.514 9.6-134.9 -81.0 148.2 -5.3 -10.1 -7.7 36 36 A D T 3 S+ 0 0 38 1,-0.3 43,-1.1 -2,-0.2 -1,-0.1 0.734 109.8 47.4 -72.5 -22.7 -7.7 -7.5 -6.2 37 37 A D T 3 S+ 0 0 134 41,-0.1 2,-0.8 40,-0.1 -1,-0.3 0.138 81.8 128.2-103.2 17.6 -8.8 -10.1 -3.6 38 38 A S < - 0 0 5 -3,-1.1 40,-1.2 5,-0.1 41,-0.1 -0.666 53.6-140.9 -80.3 111.2 -5.2 -11.1 -2.8 39 39 A R B >> -A 77 0A 98 -2,-0.8 5,-2.0 38,-0.2 4,-0.9 -0.272 19.1-116.5 -68.6 156.8 -4.8 -11.0 1.0 40 40 A F T 45S+ 0 0 0 36,-1.7 6,-2.0 33,-0.6 11,-0.1 0.094 113.3 15.4 -81.7 24.9 -1.5 -9.7 2.5 41 41 A L T 45S+ 0 0 60 4,-0.3 -1,-0.2 35,-0.1 6,-0.1 0.295 116.6 64.0-160.1 -42.7 -1.0 -13.1 4.0 42 42 A D T 45S- 0 0 111 32,-0.1 -2,-0.1 2,-0.1 -4,-0.1 0.911 134.6 -11.0 -61.5 -44.1 -3.3 -15.7 2.3 43 43 A D T <5S+ 0 0 93 -4,-0.9 -3,-0.1 3,-0.0 -5,-0.1 0.678 139.9 50.1-120.6 -60.2 -1.6 -15.2 -1.0 44 44 A L S - 0 0 69 -2,-0.5 4,-3.2 1,-0.1 5,-0.3 -0.095 33.7 -99.5 -56.1 158.2 3.7 -10.6 7.7 48 48 A S H > S+ 0 0 75 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.855 129.1 45.0 -47.7 -39.4 2.5 -7.7 9.8 49 49 A I H > S+ 0 0 123 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.872 112.0 51.1 -73.8 -38.5 6.0 -6.4 9.8 50 50 A T H > S+ 0 0 50 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.901 107.3 53.7 -65.6 -42.2 6.4 -7.0 6.0 51 51 A V H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 3,-0.5 0.938 105.1 52.9 -58.4 -49.8 3.2 -5.1 5.2 52 52 A G H X S+ 0 0 9 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.791 103.2 60.7 -57.4 -28.3 4.2 -2.0 7.1 53 53 A Q H X S+ 0 0 130 -4,-1.0 4,-0.6 -3,-0.4 -1,-0.2 0.919 114.3 32.3 -65.8 -45.0 7.4 -2.0 5.1 54 54 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.5 3,-0.4 0.815 112.6 63.3 -81.2 -32.8 5.6 -1.7 1.8 55 55 A V H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.856 99.6 54.8 -59.6 -36.1 2.8 0.4 3.2 56 56 A N H X S+ 0 0 84 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.828 104.1 54.9 -67.2 -32.2 5.3 3.1 4.1 57 57 A E H X S+ 0 0 92 -4,-0.6 4,-1.3 -3,-0.4 -1,-0.2 0.845 107.6 50.0 -69.7 -34.5 6.4 3.3 0.5 58 58 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 3,-0.4 0.954 106.5 52.6 -68.8 -52.1 2.8 3.8 -0.7 59 59 A A H X>S+ 0 0 5 -4,-2.0 5,-3.1 1,-0.2 4,-0.7 0.870 106.0 56.7 -51.7 -40.1 2.0 6.7 1.7 60 60 A R H <5S+ 0 0 104 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.912 110.5 42.8 -59.2 -44.7 5.2 8.4 0.5 61 61 A A H <5S+ 0 0 60 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.891 112.9 51.8 -69.3 -40.8 4.0 8.3 -3.1 62 62 A M H <5S- 0 0 40 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.575 118.4-114.9 -72.3 -8.3 0.4 9.3 -2.1 63 63 A G T <5 + 0 0 39 -4,-0.7 -3,-0.2 -3,-0.4 -2,-0.1 0.928 68.6 136.1 74.8 46.7 2.0 12.2 -0.2 64 64 A L < - 0 0 20 -5,-3.1 33,-0.3 1,-0.1 -1,-0.1 -0.273 32.9-178.2-108.7-163.9 0.9 11.2 3.2 65 65 A S S > S+ 0 0 65 -2,-0.1 3,-0.9 31,-0.1 -1,-0.1 0.104 80.9 25.9-158.2 -76.0 2.6 11.0 6.6 66 66 A A T 3 S+ 0 0 95 1,-0.2 -2,-0.0 -7,-0.1 -7,-0.0 0.614 101.1 86.3 -79.5 -13.1 0.7 9.6 9.6 67 67 A V T 3 + 0 0 25 -8,-0.1 -1,-0.2 -11,-0.0 21,-0.1 0.690 56.6 130.8 -60.3 -17.4 -1.4 7.6 7.3 68 68 A A S < S- 0 0 29 -3,-0.9 -12,-0.1 1,-0.2 -16,-0.1 -0.147 83.8 -5.2 -42.5 106.6 1.3 5.0 7.5 69 69 A M S S- 0 0 77 -14,-0.2 -1,-0.2 -18,-0.1 3,-0.1 0.983 70.6-168.3 64.9 84.4 -0.7 1.8 8.3 70 70 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.866 65.8 -20.9 -69.8 -37.9 -4.3 3.0 8.7 71 71 A T S S- 0 0 94 1,-0.0 5,-0.1 10,-0.0 13,-0.0 -0.946 94.9 -43.8-160.2 177.1 -5.4 -0.4 10.2 72 72 A N - 0 0 96 -2,-0.3 -3,-0.0 1,-0.1 -1,-0.0 -0.173 40.7-179.6 -51.5 140.1 -4.7 -4.1 10.4 73 73 A F > + 0 0 7 2,-0.1 3,-1.6 3,-0.1 -33,-0.6 0.514 63.4 89.3-118.2 -15.8 -3.6 -5.6 7.1 74 74 A A T 3 S+ 0 0 36 1,-0.3 -32,-0.1 -35,-0.1 -2,-0.1 0.703 107.5 27.6 -56.5 -18.5 -3.0 -9.2 8.3 75 75 A T T 3 S+ 0 0 77 -34,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.204 110.3 91.1-126.9 11.1 -6.7 -9.7 7.4 76 76 A A < - 0 0 1 -3,-1.6 -36,-1.7 -5,-0.1 2,-0.2 -0.559 62.4-135.8-104.3 170.5 -7.0 -7.0 4.7 77 77 A T B > -A 39 0A 20 -38,-0.2 4,-2.6 -2,-0.2 3,-0.4 -0.733 32.6 -97.3-121.7 171.2 -6.6 -7.1 0.9 78 78 A V H > S+ 0 0 0 -40,-1.2 4,-2.6 -43,-0.3 5,-0.2 0.860 124.5 55.0 -54.7 -37.6 -4.9 -5.0 -1.7 79 79 A R H > S+ 0 0 97 -43,-1.1 4,-2.4 2,-0.2 -1,-0.3 0.882 109.5 46.5 -64.3 -39.4 -8.3 -3.4 -2.4 80 80 A E H > S+ 0 0 111 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.939 114.9 45.0 -68.6 -48.7 -8.7 -2.4 1.2 81 81 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.898 117.5 45.5 -62.3 -41.9 -5.2 -1.0 1.6 82 82 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.903 114.9 47.1 -68.6 -42.5 -5.5 0.8 -1.7 83 83 A E H X S+ 0 0 69 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.916 111.5 50.8 -65.6 -44.4 -9.0 2.2 -0.9 84 84 A A H X S+ 0 0 30 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.892 114.4 44.3 -60.6 -41.3 -7.9 3.3 2.5 85 85 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.918 113.9 48.6 -70.1 -44.8 -4.9 5.1 1.1 86 86 A E H X S+ 0 0 57 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.828 109.3 55.3 -64.5 -32.1 -6.9 6.7 -1.7 87 87 A A H X S+ 0 0 41 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.924 107.0 48.5 -66.9 -46.0 -9.6 7.8 0.7 88 88 A R H >< S+ 0 0 115 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.965 114.9 43.1 -58.9 -55.9 -7.1 9.7 2.9 89 89 A E H >< S+ 0 0 69 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.833 106.4 64.2 -60.0 -33.0 -5.5 11.5 0.1 90 90 A R H 3< S+ 0 0 186 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.797 125.0 13.8 -61.4 -28.6 -8.9 12.1 -1.4 91 91 A E T << S+ 0 0 163 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 -0.345 93.8 140.8-145.9 57.9 -9.7 14.2 1.7 92 92 A A < - 0 0 51 -3,-0.9 -3,-0.1 1,-0.2 -28,-0.0 -0.639 49.0-105.2-101.9 160.4 -6.5 14.9 3.5 93 93 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.067 41.4 -91.0 -69.8-174.5 -5.4 18.1 5.3 94 94 A H S S+ 0 0 195 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.250 85.6 119.4 -96.1 45.0 -2.8 20.7 4.0 95 95 A L + 0 0 117 -2,-0.3 2,-0.3 2,-0.0 -3,-0.0 -0.780 34.1 170.4-110.6 155.4 0.1 18.9 5.7 96 96 A E + 0 0 156 -2,-0.3 2,-0.3 -31,-0.0 -31,-0.1 -0.987 4.6 169.8-158.1 159.9 3.3 17.4 4.2 97 97 A H - 0 0 141 -33,-0.3 -34,-0.0 -2,-0.3 -2,-0.0 -0.981 23.7-152.8-167.1 163.1 6.6 15.9 5.2 98 98 A H - 0 0 126 -2,-0.3 -1,-0.1 -35,-0.0 -35,-0.0 0.797 19.7-174.2-107.9 -63.4 9.7 14.0 3.9 99 99 A H - 0 0 136 1,-0.0 2,-0.1 3,-0.0 -2,-0.0 0.936 13.2-172.3 60.5 96.8 11.3 12.1 6.7 100 100 A H + 0 0 140 1,-0.0 -2,-0.0 2,-0.0 -1,-0.0 -0.355 43.9 69.3-106.5-171.5 14.5 10.4 5.5 101 101 A H 0 0 169 -2,-0.1 -1,-0.0 1,-0.0 0, 0.0 0.944 360.0 360.0 62.2 95.0 17.0 8.0 6.9 102 102 A H 0 0 189 -3,-0.0 -1,-0.0 0, 0.0 -2,-0.0 0.265 360.0 360.0-161.6 360.0 15.3 4.5 7.2