==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC INHIBITOR 26-APR-00 1EWJ . COMPND 2 MOLECULE: BLEOMYCIN RESISTANCE DETERMINANT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.MARUYAMA,T.KUMAGAI,Y.MATOBA,Y.HATA,M.SUGIYAMA . 952 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 25.5 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 . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 . 1 0.1 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 . 82 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 6 0 8 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 2 13 18 6 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 8 2 6 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 2 A T 0 0 123 0, 0.0 183,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 167.3 22.9 -13.5 16.3 2 3 A D + 0 0 27 183,-0.1 2,-0.2 236,-0.0 183,-0.2 -0.333 360.0 147.6 -66.7 147.3 21.8 -10.3 18.0 3 4 A Q E -A 184 0A 35 181,-1.1 181,-1.8 159,-0.0 2,-0.5 -0.782 39.7-130.1 176.5 139.2 24.4 -7.5 18.3 4 5 A A E -A 183 0A 3 157,-0.3 179,-0.2 -2,-0.2 120,-0.2 -0.834 22.0-167.7-101.5 129.1 24.8 -3.7 18.3 5 6 A T E -A 182 0A 0 177,-1.7 177,-2.5 -2,-0.5 39,-0.1 -0.823 22.5-111.6-113.4 153.7 27.3 -2.0 16.0 6 7 A P E -A 181 0A 1 0, 0.0 39,-1.2 0, 0.0 2,-0.5 -0.285 14.0-139.1 -80.7 168.3 28.5 1.6 16.2 7 8 A N E -f 45 0B 5 173,-0.7 173,-0.4 37,-0.1 39,-0.2 -0.984 26.4-176.9-128.7 113.7 27.8 4.4 13.8 8 9 A L E -f 46 0B 2 37,-3.3 39,-1.4 -2,-0.5 2,-0.2 -0.901 23.8-113.1-117.0 147.3 30.8 6.6 13.2 9 10 A P E -f 47 0B 0 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.455 25.0-167.4 -78.9 145.7 31.2 9.8 11.0 10 11 A S E -f 48 0B 2 37,-2.2 39,-1.5 -2,-0.2 3,-0.3 -0.987 19.1-164.5-137.4 125.6 33.3 10.1 7.9 11 12 A R S S+ 0 0 39 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.531 93.0 14.4 -82.6 -6.8 34.3 13.2 6.1 12 13 A D > - 0 0 41 1,-0.1 4,-2.5 313,-0.0 -1,-0.3 -0.654 64.2-154.2-169.9 105.6 35.3 11.1 3.0 13 14 A F H > S+ 0 0 19 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.818 95.7 58.8 -53.2 -34.6 34.4 7.5 2.6 14 15 A D H > S+ 0 0 72 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.984 110.0 39.3 -61.2 -60.6 37.4 6.9 0.4 15 16 A S H > S+ 0 0 15 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.964 118.4 49.4 -52.6 -57.1 40.0 8.0 3.0 16 17 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.941 114.3 44.7 -45.5 -59.4 38.0 6.2 5.8 17 18 A A H X S+ 0 0 4 -4,-3.1 4,-1.2 -5,-0.2 -1,-0.2 0.871 114.2 50.3 -54.3 -41.6 37.7 3.1 3.7 18 19 A A H X S+ 0 0 24 -4,-3.0 4,-0.9 -5,-0.2 3,-0.4 0.944 109.7 50.4 -62.5 -50.1 41.4 3.3 2.7 19 20 A F H < S+ 0 0 10 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.7 43.3 -60.5 -32.9 42.6 3.7 6.3 20 21 A Y H ><>S+ 0 0 3 -4,-1.8 5,-2.0 -5,-0.3 3,-0.9 0.653 101.5 67.0 -90.6 -17.3 40.7 0.8 7.7 21 22 A E H ><5S+ 0 0 104 -4,-1.2 3,-0.8 -3,-0.4 -2,-0.2 0.810 94.6 60.7 -70.9 -29.6 41.5 -1.6 4.9 22 23 A R T 3<5S+ 0 0 74 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.563 101.5 53.3 -73.5 -10.7 45.1 -1.5 6.1 23 24 A L T < 5S- 0 0 3 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.535 131.7 -87.4-101.5 -7.8 44.1 -2.9 9.4 24 25 A G T < 5S+ 0 0 49 -3,-0.8 16,-0.2 1,-0.4 -3,-0.2 0.246 88.0 126.4 121.4 -10.3 42.3 -5.9 8.0 25 26 A F < - 0 0 8 -5,-2.0 -1,-0.4 14,-0.2 2,-0.3 -0.383 34.2-175.6 -78.1 158.8 38.8 -4.4 7.4 26 27 A G E -G 38 0B 26 12,-1.1 12,-0.8 -2,-0.1 2,-0.7 -0.827 33.4 -79.6-142.9 179.7 37.1 -4.5 4.1 27 28 A I E +G 37 0B 72 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.790 36.0 168.1 -96.9 116.0 33.9 -3.3 2.5 28 29 A V E S- 0 0 81 8,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.745 77.6 -8.0 -89.3 -28.8 30.7 -5.1 3.2 29 30 A F E -G 36 0B 71 7,-1.2 7,-2.4 2,-0.0 -1,-0.4 -0.971 58.4-169.9-164.4 151.4 28.6 -2.4 1.7 30 31 A R E +G 35 0B 108 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.724 13.1 161.7-157.6 105.9 28.9 1.2 0.3 31 32 A D - 0 0 90 3,-3.5 -2,-0.0 -2,-0.2 0, 0.0 -0.147 56.7 -90.5 -99.6-161.8 26.3 3.7 -0.7 32 33 A A S S+ 0 0 92 1,-0.1 -19,-0.1 -2,-0.1 3,-0.1 0.661 126.0 20.1 -89.1 -19.3 26.5 7.4 -1.1 33 34 A G S S+ 0 0 37 1,-0.2 15,-1.0 14,-0.1 2,-0.3 0.391 123.3 53.8-128.7 1.3 25.7 8.1 2.5 34 35 A W E + H 0 47B 47 13,-0.2 -3,-3.5 2,-0.0 2,-0.4 -0.961 52.1 174.8-146.3 126.8 26.4 4.8 4.2 35 36 A M E -GH 30 46B 0 11,-1.6 11,-3.4 -2,-0.3 2,-0.4 -0.981 11.4-159.3-132.6 140.7 29.5 2.5 4.4 36 37 A I E -GH 29 45B 14 -7,-2.4 -8,-2.3 -2,-0.4 -7,-1.2 -0.973 9.4-176.4-121.5 129.5 30.2 -0.7 6.3 37 38 A L E -GH 27 44B 1 7,-2.6 7,-1.2 -2,-0.4 2,-0.3 -0.679 5.8-172.9-113.4 170.9 33.7 -2.1 7.1 38 39 A Q E -GH 26 43B 78 -12,-0.8 -12,-1.1 -2,-0.2 2,-0.4 -0.863 21.8-179.1-171.6 134.5 34.6 -5.3 8.9 39 40 A R E > S- H 0 42B 41 3,-2.7 3,-1.6 -2,-0.3 2,-0.3 -0.885 75.5 -47.2-136.0 100.9 37.5 -7.3 10.2 40 41 A G T 3 S- 0 0 55 -2,-0.4 83,-0.0 1,-0.3 -16,-0.0 -0.605 123.3 -22.0 73.8-132.0 36.5 -10.6 11.8 41 42 A D T 3 S+ 0 0 92 -2,-0.3 2,-0.6 81,-0.1 83,-0.3 0.444 116.2 105.2 -89.6 -3.0 33.5 -10.1 14.0 42 43 A L E < + H 0 39B 1 -3,-1.6 -3,-2.7 81,-0.2 2,-0.4 -0.718 49.6 175.5 -81.0 119.0 34.5 -6.4 14.3 43 44 A M E - H 0 38B 28 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.996 8.6-174.5-129.6 128.7 32.0 -4.5 12.2 44 45 A L E - H 0 37B 1 -7,-1.2 -7,-2.6 -2,-0.4 2,-0.4 -0.973 8.6-154.7-125.4 140.1 31.9 -0.6 12.0 45 46 A E E -fH 7 36B 2 -39,-1.2 -37,-3.3 -2,-0.4 2,-0.3 -0.929 10.1-164.2-118.8 135.1 29.3 1.5 10.2 46 47 A F E -fH 8 35B 0 -11,-3.4 -11,-1.6 -2,-0.4 2,-0.3 -0.788 6.8-167.6-117.8 160.8 29.9 5.0 8.8 47 48 A F E -fH 9 34B 13 -39,-1.4 -37,-2.2 -2,-0.3 2,-0.4 -0.955 36.7 -95.7-139.7 153.6 27.7 7.8 7.7 48 49 A A E +f 10 0B 42 -15,-1.0 -37,-0.2 -2,-0.3 3,-0.1 -0.604 41.5 168.3 -75.6 125.4 28.6 11.0 5.8 49 50 A H > + 0 0 21 -39,-1.5 3,-1.1 -2,-0.4 -1,-0.1 -0.503 4.3 164.8-135.1 64.9 29.1 13.9 8.2 50 51 A P T 3 S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.831 71.0 60.6 -50.1 -43.8 30.7 16.6 6.0 51 52 A G T 3 S+ 0 0 76 -3,-0.1 2,-0.3 2,-0.1 -40,-0.0 0.045 83.9 125.5 -79.1 31.8 30.0 19.5 8.4 52 53 A L < - 0 0 20 -3,-1.1 -3,-0.0 -2,-0.3 3,-0.0 -0.698 53.9-146.8 -97.4 143.2 32.2 17.8 11.0 53 54 A D >> - 0 0 79 -2,-0.3 3,-1.8 1,-0.1 4,-0.8 -0.904 4.2-157.5-106.6 107.9 35.2 19.2 12.8 54 55 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 0.713 95.0 52.0 -56.9 -18.6 37.7 16.5 13.6 55 56 A L T 34 S+ 0 0 82 1,-0.2 55,-0.1 -3,-0.0 31,-0.0 0.606 113.4 40.4 -94.8 -12.4 39.1 18.7 16.4 56 57 A A T <4 S+ 0 0 62 -3,-1.8 -1,-0.2 0, 0.0 2,-0.1 0.265 89.2 126.2-114.9 7.6 35.7 19.3 18.1 57 58 A S < - 0 0 29 -4,-0.8 -5,-0.0 1,-0.1 53,-0.0 -0.388 37.8-175.3 -73.2 146.4 34.4 15.8 17.7 58 59 A W + 0 0 148 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.283 43.4 125.0-118.3 3.7 33.1 13.7 20.6 59 60 A F + 0 0 18 54,-0.0 53,-2.1 1,-0.0 2,-0.3 -0.385 28.7 135.6 -71.0 145.6 32.5 10.5 18.6 60 61 A S E -i 112 0C 7 67,-0.3 67,-0.7 51,-0.2 2,-0.3 -0.935 24.0-171.8-167.6-175.7 34.1 7.2 19.8 61 62 A C E -iJ 113 126C 0 51,-1.7 53,-2.8 -2,-0.3 2,-0.4 -0.970 26.0 -98.9-178.5 173.0 33.6 3.5 20.5 62 63 A C E -iJ 114 125C 2 63,-1.8 63,-1.6 -2,-0.3 2,-0.5 -0.865 13.4-165.7-113.5 147.5 35.2 0.4 21.9 63 64 A L E -iJ 115 124C 2 51,-2.3 53,-1.6 -2,-0.4 2,-0.9 -0.861 13.2-166.7-128.9 89.5 37.0 -2.5 20.2 64 65 A R E -iJ 116 123C 43 59,-1.1 59,-2.4 -2,-0.5 2,-0.2 -0.746 19.5-178.0 -83.8 109.0 37.2 -5.2 22.9 65 66 A L E -i 117 0C 0 51,-2.8 53,-4.1 -2,-0.9 3,-0.3 -0.685 39.5-136.7-110.1 163.6 39.7 -7.6 21.4 66 67 A D S S+ 0 0 92 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.658 105.2 30.0 -88.9 -20.8 41.2 -11.0 22.4 67 68 A D > + 0 0 56 1,-0.1 4,-1.9 2,-0.1 -1,-0.3 -0.654 62.1 166.6-141.4 81.9 44.6 -9.9 21.4 68 69 A L H > S+ 0 0 5 -3,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.870 78.6 58.6 -63.5 -37.2 45.2 -6.2 21.8 69 70 A A H >> S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 3,-0.5 0.981 106.6 45.3 -55.8 -61.9 49.0 -6.6 21.4 70 71 A E H 3> S+ 0 0 53 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.919 114.4 48.8 -47.1 -54.1 48.7 -8.2 17.9 71 72 A F H 3X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.3 -1,-0.3 0.824 112.0 49.2 -58.2 -34.0 46.2 -5.6 16.7 72 73 A Y H S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 -1,-0.2 0.842 112.9 44.8 -56.9 -33.9 48.6 -0.2 13.7 76 77 A K H ><5S+ 0 0 102 -4,-1.7 3,-2.2 3,-0.2 -1,-0.2 0.939 112.2 50.6 -74.5 -48.4 52.3 0.5 14.2 77 78 A S H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.875 104.5 57.4 -58.5 -38.2 53.3 -1.5 11.2 78 79 A V T 3<5S- 0 0 24 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.433 123.6-108.8 -74.3 5.4 50.8 0.3 9.0 79 80 A G T < 5 + 0 0 20 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.667 56.0 166.0 81.5 20.5 52.6 3.5 10.1 80 81 A I < - 0 0 13 -5,-2.3 -1,-0.2 1,-0.1 9,-0.1 -0.541 42.3-111.8 -71.9 130.8 50.2 5.2 12.5 81 82 A Q B -k 89 0C 46 7,-0.6 9,-2.2 -2,-0.3 -1,-0.1 -0.337 12.5-147.8 -66.6 139.8 52.0 7.8 14.4 82 83 A E + 0 0 86 7,-0.2 -1,-0.1 -2,-0.1 10,-0.1 -0.223 56.8 127.7 -98.2 40.4 52.5 7.4 18.1 83 84 A T - 0 0 35 2,-0.1 7,-0.2 1,-0.1 3,-0.1 -0.236 62.0-134.5 -87.8-179.9 52.3 11.1 18.8 84 85 A S S S+ 0 0 95 -2,-0.1 2,-0.3 5,-0.1 171,-0.1 0.285 83.6 63.4-118.7 6.6 50.1 13.0 21.3 85 86 A S S S+ 0 0 35 169,-0.1 -2,-0.1 170,-0.1 -1,-0.1 -0.986 92.4 3.8-133.7 142.1 48.9 15.7 18.9 86 87 A G S S- 0 0 12 -2,-0.3 20,-0.1 -3,-0.1 3,-0.1 -0.029 84.2 -40.2 78.6 176.8 46.9 15.6 15.8 87 88 A Y S S+ 0 0 24 1,-0.2 20,-0.1 21,-0.1 2,-0.1 -0.993 101.2 30.5-144.0 148.6 45.1 12.7 14.0 88 89 A P S S+ 0 0 31 0, 0.0 -7,-0.6 0, 0.0 2,-0.3 0.456 83.7 133.3 -84.4 148.0 45.3 9.9 13.1 89 90 A R E -kL 81 106C 78 17,-0.7 17,-2.4 -9,-0.1 2,-0.3 -0.907 38.1-141.1-147.7 172.5 47.5 8.7 16.0 90 91 A I E - L 0 105C 3 -9,-2.2 2,-0.4 -2,-0.3 15,-0.2 -0.979 2.8-151.5-140.8 152.6 47.9 5.9 18.5 91 92 A H E - L 0 104C 75 13,-1.9 13,-1.4 -2,-0.3 3,-0.2 -0.996 33.8-109.3-125.8 127.8 48.9 5.5 22.2 92 93 A A E - 0 0 31 -2,-0.4 2,-0.2 11,-0.2 12,-0.2 -0.113 49.4 -77.6 -54.7 151.8 50.5 2.3 23.4 93 94 A P E - 0 0 47 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.319 57.3-178.8 -56.1 116.0 48.4 0.0 25.7 94 95 A E E - L 0 102C 108 8,-1.5 8,-2.2 -2,-0.2 2,-0.4 -0.938 36.4-104.4-122.4 143.4 48.5 1.4 29.3 95 96 A L E - L 0 101C 130 -2,-0.4 6,-0.3 6,-0.2 2,-0.2 -0.522 46.8-135.6 -66.1 118.9 46.9 0.0 32.4 96 97 A Q > - 0 0 48 4,-4.2 3,-3.5 -2,-0.4 4,-0.2 -0.473 18.6-108.5 -83.4 150.5 43.9 2.2 32.9 97 98 A E T 3 S+ 0 0 204 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.699 120.5 58.8 -45.0 -24.4 42.7 3.7 36.2 98 99 A W T 3 S- 0 0 125 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.244 123.5-102.8 -93.9 13.1 39.8 1.2 36.1 99 100 A G S < S+ 0 0 60 -3,-3.5 2,-0.3 1,-0.3 -2,-0.2 0.476 85.1 112.8 83.7 3.0 42.2 -1.8 36.0 100 101 A G - 0 0 15 -4,-0.2 -4,-4.2 -6,-0.1 2,-0.6 -0.756 67.8-119.1-108.2 156.9 42.0 -2.6 32.4 101 102 A T E +L 95 0C 57 -2,-0.3 16,-1.5 -6,-0.3 2,-0.4 -0.839 40.5 172.1 -94.8 122.1 44.6 -2.4 29.7 102 103 A M E -LM 94 116C 25 -8,-2.2 -8,-1.5 -2,-0.6 2,-0.3 -0.982 20.4-162.7-140.2 129.6 43.6 0.0 26.9 103 104 A A E - 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