==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-09 3G2M . COMPND 2 MOLECULE: PCZA361.24; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR R.SHI,A.MATTE,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURA . 446 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 6 3 0 0 0 2 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 4 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 . 2 0 0 0 1 2 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 2 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 9 A P 0 0 99 0, 0.0 2,-0.2 0, 0.0 190,-0.1 0.000 360.0 360.0 360.0-162.7 18.5 43.4 14.2 2 10 A V - 0 0 36 188,-0.2 2,-1.0 1,-0.1 16,-0.1 -0.464 360.0-149.7 -70.3 128.9 16.8 46.4 12.5 3 11 A R - 0 0 185 -2,-0.2 -1,-0.1 4,-0.1 5,-0.1 -0.602 19.9-165.9-104.7 70.2 16.5 45.9 8.7 4 12 A T > - 0 0 0 -2,-1.0 4,-2.7 171,-0.1 5,-0.2 -0.169 30.3-115.6 -64.3 147.7 16.7 49.5 7.4 5 13 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.866 118.2 45.4 -47.3 -44.9 15.8 50.4 3.7 6 14 A H H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.868 111.2 52.7 -70.0 -38.0 19.4 51.4 2.9 7 15 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.910 106.7 53.5 -61.5 -44.6 20.8 48.3 4.7 8 16 A D H X S+ 0 0 55 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.911 110.6 45.9 -55.8 -47.8 18.6 46.0 2.6 9 17 A V H X S+ 0 0 103 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.893 114.4 49.6 -63.2 -42.4 19.8 47.5 -0.7 10 18 A L H X S+ 0 0 20 -4,-2.2 4,-1.0 2,-0.2 3,-0.3 0.953 110.7 47.0 -58.9 -56.4 23.4 47.3 0.5 11 19 A L H < S+ 0 0 50 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 111.7 53.8 -60.3 -28.6 23.3 43.7 1.6 12 20 A A H < S+ 0 0 87 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.874 112.9 41.1 -72.0 -39.5 21.6 42.9 -1.7 13 21 A S H < 0 0 101 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.511 360.0 360.0 -87.1 -5.7 24.3 44.5 -3.8 14 22 A V < 0 0 84 -4,-1.0 168,-0.0 -5,-0.1 0, 0.0 -0.639 360.0 360.0-115.3 360.0 27.2 43.1 -1.7 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 27 A V 0 0 96 0, 0.0 172,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 133.3 26.4 40.8 7.4 17 28 A L E +a 188 0A 46 170,-0.2 2,-0.3 172,-0.1 172,-0.2 -0.859 360.0 161.6 -97.9 126.2 23.7 42.7 9.3 18 29 A C E -a 189 0A 46 170,-2.6 172,-2.5 -2,-0.5 2,-0.4 -0.940 41.6-110.2-135.7 157.0 24.4 43.6 12.9 19 30 A D E -a 190 0A 55 -2,-0.3 172,-0.2 170,-0.2 170,-0.1 -0.743 31.0-126.4 -81.5 140.4 23.1 46.1 15.5 20 31 A F 0 0 98 170,-2.1 171,-0.1 -2,-0.4 -1,-0.1 0.821 360.0 360.0 -56.3 -35.8 25.6 48.9 16.2 21 32 A Y 0 0 149 169,-0.3 -2,-0.2 -3,-0.0 169,-0.1 0.136 360.0 360.0-103.1 360.0 25.4 48.0 19.9 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 47 A A 0 0 115 0, 0.0 3,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 111.7 34.9 59.6 25.3 24 48 A D + 0 0 128 1,-0.0 3,-0.3 2,-0.0 29,-0.1 -0.292 360.0 128.0-152.1 61.2 34.7 63.1 23.8 25 49 A G > + 0 0 5 27,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.325 32.8 132.6-100.4 43.8 31.7 65.0 25.2 26 50 A T H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 71.5 47.1 -63.0 -42.3 34.2 67.8 26.0 27 51 A S H > S+ 0 0 10 193,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.843 112.8 50.6 -67.0 -36.2 31.9 70.5 24.5 28 52 A E H > S+ 0 0 9 192,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.947 110.1 47.5 -67.6 -49.6 28.9 69.1 26.3 29 53 A A H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.879 109.9 55.5 -59.0 -39.2 30.6 69.0 29.7 30 54 A R H X S+ 0 0 131 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.880 106.0 50.5 -57.8 -43.7 31.8 72.6 29.1 31 55 A E H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.893 108.9 51.4 -65.6 -39.7 28.1 73.7 28.5 32 56 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.945 112.6 46.3 -59.0 -48.6 27.1 72.1 31.7 33 57 A A H X S+ 0 0 23 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.902 112.4 50.8 -59.6 -44.9 29.9 74.0 33.5 34 58 A T H < S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.0 43.4 -59.5 -43.7 29.0 77.2 31.8 35 59 A R H < S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.708 107.2 59.9 -81.0 -22.4 25.3 77.0 32.7 36 60 A T H < S- 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.933 77.9-172.7 -69.8 -47.9 25.8 75.9 36.3 37 61 A G < + 0 0 52 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.832 56.6 31.7 94.2-102.0 27.7 79.0 37.4 38 62 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.639 63.0-155.5 -13.1-106.9 29.1 78.4 41.0 39 63 A V + 0 0 42 2,-0.1 2,-0.8 -3,-0.1 -2,-0.1 0.499 26.4 160.3-101.1 127.4 29.7 75.5 41.8 40 64 A S - 0 0 116 2,-0.1 69,-0.1 22,-0.0 22,-0.0 -0.827 61.1 -0.4-105.3 91.3 29.4 75.4 45.6 41 65 A G S S- 0 0 33 -2,-0.8 22,-0.3 67,-0.1 -2,-0.1 -0.437 96.5 -35.4 121.9 166.5 29.0 71.8 46.6 42 66 A P - 0 0 31 0, 0.0 67,-0.8 0, 0.0 68,-0.7 -0.192 49.9-141.6 -56.4 146.8 28.8 68.2 45.2 43 67 A V E -fg 64 110B 0 20,-2.7 22,-2.9 66,-0.1 2,-0.6 -0.933 4.4-141.5-114.3 135.2 27.1 67.4 41.9 44 68 A L E -fg 65 111B 0 66,-2.6 68,-2.8 -2,-0.4 2,-0.6 -0.878 15.1-164.6 -95.1 118.8 24.9 64.3 41.2 45 69 A E E > -fg 66 112B 9 20,-3.1 22,-2.9 -2,-0.6 3,-0.5 -0.927 11.1-146.6-104.7 118.8 25.5 62.9 37.7 46 70 A L E 3 S+fg 67 113B 1 66,-2.7 68,-0.5 -2,-0.6 22,-0.1 -0.665 76.2 1.9 -88.8 137.7 22.7 60.5 36.6 47 71 A A T 3 S+ 0 0 18 20,-0.9 -1,-0.2 -2,-0.3 21,-0.2 0.943 75.7 174.4 54.4 55.6 23.5 57.5 34.4 48 72 A A X> - 0 0 6 19,-2.0 3,-2.4 -3,-0.5 4,-0.6 0.589 11.2-171.0 -73.1 -11.2 27.2 58.5 34.4 49 73 A G T 34 - 0 0 20 18,-0.3 -1,-0.2 1,-0.3 28,-0.1 -0.382 67.7 -22.8 58.6-121.5 28.2 55.4 32.4 50 74 A X T 34 S- 0 0 88 -2,-0.2 -1,-0.3 26,-0.1 -2,-0.1 0.287 104.1 -85.0-104.3 5.9 32.0 55.2 32.4 51 75 A G T <> S+ 0 0 4 -3,-2.4 4,-2.0 3,-0.1 -2,-0.1 0.735 70.4 152.2 96.5 27.0 32.7 58.9 33.0 52 76 A R T < S+ 0 0 95 -4,-0.6 -27,-0.5 1,-0.2 -23,-0.1 0.867 96.3 15.4 -51.4 -38.4 32.5 60.4 29.5 53 77 A L T > S+ 0 0 4 -5,-0.4 4,-2.3 2,-0.1 -1,-0.2 0.668 119.1 71.3-103.5 -26.4 31.4 63.6 31.3 54 78 A T H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.887 97.6 48.5 -61.0 -43.8 32.4 62.7 34.9 55 79 A F H X S+ 0 0 22 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 111.7 49.0 -67.5 -46.6 36.2 63.0 34.2 56 80 A P H 4 S+ 0 0 32 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.894 112.4 50.9 -51.1 -41.5 35.8 66.4 32.5 57 81 A F H ><>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 3,-1.1 0.904 109.3 48.4 -63.5 -43.8 33.6 67.4 35.6 58 82 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.818 104.2 62.2 -64.7 -31.4 36.3 66.2 38.0 59 83 A D T 3<5S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.622 97.8 57.5 -67.2 -17.0 38.8 68.2 35.9 60 84 A L T < 5S- 0 0 91 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.388 125.3-103.0 -93.2 0.5 36.9 71.3 36.8 61 85 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.332 71.0 150.7 96.5 -4.8 37.4 70.6 40.5 62 86 A W < - 0 0 22 -5,-1.4 2,-0.6 1,-0.1 -1,-0.3 -0.228 48.3-133.2 -61.3 141.0 33.9 69.3 41.2 63 87 A E - 0 0 103 -22,-0.3 -20,-2.7 29,-0.1 2,-0.4 -0.881 37.3-167.6 -83.1 126.1 32.9 66.8 43.8 64 88 A V E -fh 43 92B 2 27,-2.4 29,-2.8 -2,-0.6 2,-0.6 -0.982 27.1-159.6-127.1 129.2 30.8 64.3 41.8 65 89 A T E -fh 44 93B 7 -22,-2.9 -20,-3.1 -2,-0.4 2,-0.6 -0.950 23.2-159.7 -96.2 115.9 28.5 61.5 42.9 66 90 A A E -fh 45 94B 0 27,-2.7 29,-2.3 -2,-0.6 2,-0.5 -0.903 2.6-160.0-105.2 119.7 28.1 59.4 39.7 67 91 A L E +fh 46 95B 1 -22,-2.9 -19,-2.0 -2,-0.6 -20,-0.9 -0.865 16.4 168.7-103.9 130.3 25.1 57.1 39.6 68 92 A E E - h 0 96B 25 27,-2.3 29,-1.7 -2,-0.5 30,-0.1 -1.000 29.7-151.9-146.8 140.6 25.1 54.1 37.2 69 93 A L S S+ 0 0 99 -2,-0.3 2,-0.3 27,-0.2 -1,-0.1 0.872 73.0 79.0 -79.3 -41.1 22.9 51.1 36.8 70 94 A S > - 0 0 37 1,-0.1 4,-2.2 27,-0.1 5,-0.1 -0.569 59.8-156.4 -83.9 130.7 25.2 48.5 35.3 71 95 A T H > S+ 0 0 90 -2,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.857 97.3 50.4 -67.9 -38.1 27.7 46.7 37.6 72 96 A S H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.7 48.1 -69.5 -42.5 30.0 46.0 34.7 73 97 A V H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 112.5 50.5 -62.0 -43.8 30.1 49.6 33.6 74 98 A L H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.869 108.0 52.4 -60.0 -41.3 30.7 50.6 37.2 75 99 A A H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.929 110.7 47.2 -58.9 -47.2 33.6 48.1 37.4 76 100 A A H X S+ 0 0 33 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.813 110.7 52.9 -65.0 -33.5 35.1 49.6 34.3 77 101 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.922 108.0 50.5 -63.3 -46.4 34.6 53.1 35.8 78 102 A R H X S+ 0 0 146 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.865 107.6 54.0 -59.2 -39.5 36.4 52.0 39.0 79 103 A K H X S+ 0 0 148 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.892 111.4 44.6 -61.7 -43.4 39.3 50.7 36.8 80 104 A R H >< S+ 0 0 117 -4,-1.6 3,-0.6 1,-0.2 4,-0.2 0.857 111.9 52.8 -67.0 -38.8 39.5 54.2 35.2 81 105 A L H >< S+ 0 0 16 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.764 103.7 57.5 -69.5 -27.2 39.3 55.9 38.6 82 106 A A H 3< S+ 0 0 70 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.687 105.1 51.1 -75.6 -20.7 42.1 53.7 39.9 83 107 A E T << S+ 0 0 156 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.395 95.5 91.4 -96.1 -0.6 44.4 55.0 37.1 84 108 A A S < S- 0 0 14 -3,-0.6 -3,-0.0 -4,-0.2 5,-0.0 -0.601 91.3 -89.8 -89.9 155.0 43.5 58.7 37.9 85 109 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.317 40.8-106.3 -65.5 152.2 45.6 60.8 40.4 86 110 A A H 3> S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.781 117.9 56.4 -48.5 -39.6 44.5 60.6 44.1 87 111 A D H 34 S+ 0 0 97 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.864 111.4 42.7 -63.3 -39.1 43.0 64.2 44.0 88 112 A V H X> S+ 0 0 12 -3,-1.2 3,-1.3 2,-0.2 4,-0.5 0.958 115.6 48.2 -69.3 -53.5 40.7 63.2 41.2 89 113 A R H >< S+ 0 0 92 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.861 106.7 56.9 -55.7 -42.1 39.7 59.8 42.6 90 114 A D T 3< S+ 0 0 127 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.675 105.4 52.0 -66.5 -19.4 39.0 61.3 46.1 91 115 A R T <4 S+ 0 0 57 -3,-1.3 -27,-2.4 -4,-0.5 2,-0.5 0.507 96.0 81.3 -95.5 -6.7 36.4 63.7 44.6 92 116 A C E << -h 64 0B 12 -3,-1.1 2,-0.5 -4,-0.5 -27,-0.2 -0.888 56.9-169.8-106.3 127.7 34.4 61.0 42.8 93 117 A T E -h 65 0B 72 -29,-2.8 -27,-2.7 -2,-0.5 2,-0.4 -0.966 10.7-152.5-117.2 116.6 31.8 58.9 44.5 94 118 A L E +h 66 0B 43 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.732 16.7 177.4 -92.3 135.1 30.4 55.9 42.6 95 119 A V E -h 67 0B 40 -29,-2.3 -27,-2.3 -2,-0.4 2,-0.4 -0.999 26.8-131.1-138.6 132.1 26.9 54.6 43.4 96 120 A Q E +h 68 0B 110 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.701 52.7 122.2 -80.8 129.8 24.8 51.8 41.8 97 121 A G - 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