==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-07 2QIR . COMPND 2 MOLECULE: AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR F.MAURICE,I.BROUTIN,I.PODGLAJEN,P.BENAS,E.COLLATZ,F.DARDEL . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 21.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 0 0 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 2 1 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 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 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 12 A S 0 0 116 0, 0.0 58,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.5 -6.3 19.7 -29.6 2 13 A V - 0 0 12 56,-0.1 2,-0.3 102,-0.1 56,-0.2 -0.745 360.0-177.5 -93.1 130.9 -4.3 20.0 -26.4 3 14 A T E -A 57 0A 80 54,-1.9 54,-2.9 -2,-0.4 2,-0.4 -0.783 17.0-128.7-121.2 171.0 -2.5 23.3 -25.5 4 15 A L E +A 56 0A 38 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.970 19.6 178.3-126.1 136.2 -0.3 24.4 -22.6 5 16 A R E -A 55 0A 82 50,-2.0 50,-3.0 -2,-0.4 -2,-0.0 -0.919 41.7 -92.7-124.0 154.9 -0.5 27.3 -20.2 6 17 A L E -A 54 0A 110 -2,-0.3 2,-0.3 48,-0.2 48,-0.3 -0.349 42.1-118.0 -59.5 143.1 1.9 28.1 -17.3 7 18 A M - 0 0 6 46,-2.2 2,-0.2 2,-0.0 -1,-0.1 -0.667 33.0-162.4 -78.3 144.3 0.8 26.7 -14.0 8 19 A T > - 0 0 57 -2,-0.3 3,-2.0 35,-0.0 4,-0.3 -0.738 38.2 -97.3-116.9 172.4 0.1 29.4 -11.3 9 20 A E G > S+ 0 0 137 1,-0.3 3,-1.5 -2,-0.2 4,-0.3 0.832 121.8 66.7 -52.0 -35.1 -0.2 29.3 -7.5 10 21 A H G 3 S+ 0 0 172 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.591 95.3 55.1 -66.1 -12.6 -4.0 29.1 -8.1 11 22 A D G <> S+ 0 0 16 -3,-2.0 4,-2.4 1,-0.1 -1,-0.3 0.474 81.3 92.8 -97.2 -4.4 -3.6 25.6 -9.7 12 23 A L H <> S+ 0 0 5 -3,-1.5 4,-2.5 -4,-0.3 -2,-0.1 0.854 82.7 49.4 -64.1 -42.6 -1.8 24.1 -6.7 13 24 A A H > S+ 0 0 62 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.863 112.9 49.2 -63.6 -39.0 -4.9 22.7 -4.8 14 25 A M H > S+ 0 0 46 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 111.1 49.3 -65.9 -43.0 -6.1 21.1 -8.1 15 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.898 106.9 56.8 -60.8 -41.0 -2.6 19.6 -8.7 16 27 A Y H < S+ 0 0 87 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.894 106.8 48.7 -58.1 -43.7 -2.7 18.3 -5.1 17 28 A E H >< S+ 0 0 106 -4,-1.7 3,-1.6 1,-0.2 4,-0.3 0.959 111.3 49.5 -60.5 -50.6 -5.9 16.4 -5.9 18 29 A W H >< S+ 0 0 10 -4,-2.2 3,-1.8 1,-0.3 6,-0.2 0.885 104.2 58.9 -54.5 -43.0 -4.4 14.9 -9.1 19 30 A L T 3< S+ 0 0 5 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.495 104.0 52.7 -72.9 -0.9 -1.3 13.7 -7.3 20 31 A N T < S+ 0 0 42 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.353 80.9 108.7-112.1 2.6 -3.4 11.6 -4.9 21 32 A R S X> S- 0 0 70 -3,-1.8 4,-2.5 -4,-0.3 3,-1.4 -0.620 74.6-129.0 -77.4 136.6 -5.3 9.8 -7.7 22 33 A S H 3> S+ 0 0 88 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.751 104.3 59.0 -71.5 -23.1 -4.1 6.2 -7.8 23 34 A H H 34 S+ 0 0 28 2,-0.2 4,-0.4 1,-0.1 -1,-0.3 0.770 115.3 39.4 -69.3 -24.4 -3.3 6.0 -11.5 24 35 A I H X> S+ 0 0 7 -3,-1.4 4,-2.8 -6,-0.2 3,-1.2 0.899 109.5 57.6 -88.4 -50.7 -0.9 8.9 -10.9 25 36 A V H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.829 99.5 61.9 -46.4 -39.7 0.5 7.8 -7.6 26 37 A E T 3< S+ 0 0 125 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.857 121.2 19.7 -64.9 -31.0 1.7 4.5 -9.2 27 38 A W T <4 0 0 93 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.626 360.0 360.0-108.2 -18.5 4.0 6.3 -11.6 28 39 A W < 0 0 89 -4,-2.8 -1,-0.1 2,-0.1 -4,-0.0 -0.626 360.0 360.0 -93.4 360.0 4.7 9.7 -10.1 29 ! 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 30 44 A A 0 0 113 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.6 4.9 10.4 -3.0 31 45 A R - 0 0 134 -11,-0.0 -11,-0.1 0, 0.0 2,-0.1 -0.817 360.0-154.4-122.2 90.3 1.3 10.8 -1.8 32 46 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -13,-0.0 -0.377 8.7-133.4 -76.1 144.3 1.8 14.5 -1.1 33 47 A T > - 0 0 75 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.387 37.7 -99.1 -72.8 164.7 -0.2 16.5 1.5 34 48 A L H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 128.1 49.6 -51.0 -47.2 -1.6 19.9 0.4 35 49 A A H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.865 106.1 56.0 -62.6 -38.2 1.4 21.6 2.1 36 50 A D H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.955 111.1 45.0 -52.6 -53.1 3.9 19.2 0.4 37 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.855 112.9 49.8 -60.6 -41.5 2.4 20.3 -3.0 38 52 A Q H < S+ 0 0 95 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.857 116.2 42.1 -68.7 -37.7 2.4 24.1 -2.0 39 53 A E H < S+ 0 0 131 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.883 124.6 34.6 -75.0 -39.6 6.0 23.9 -0.9 40 54 A Q H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.799 122.4 38.5 -89.5 -33.6 7.4 21.8 -3.7 41 55 A Y S < S+ 0 0 27 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.355 72.8 127.1-107.4 6.1 5.3 22.8 -6.8 42 56 A L >> - 0 0 40 -4,-0.5 4,-2.7 -5,-0.2 3,-1.3 -0.484 67.3-126.3 -60.9 125.6 5.0 26.6 -6.3 43 57 A P H 3> S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 8,-0.2 0.847 109.4 51.4 -48.2 -41.4 6.3 28.0 -9.7 44 58 A S H 34 S+ 0 0 72 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.792 112.2 46.8 -66.5 -30.1 8.9 30.2 -7.9 45 59 A V H X4 S+ 0 0 51 -3,-1.3 3,-1.1 2,-0.2 4,-0.4 0.904 112.8 48.0 -72.2 -46.6 10.2 27.2 -5.9 46 60 A L H ><>S+ 0 0 10 -4,-2.7 3,-2.1 1,-0.2 5,-2.0 0.889 102.2 67.0 -56.8 -40.8 10.3 25.0 -9.0 47 61 A A G ><5S+ 0 0 57 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.752 90.1 63.5 -48.6 -33.5 12.1 28.0 -10.7 48 62 A Q G < 5S+ 0 0 149 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.673 106.5 42.7 -70.6 -22.8 15.1 27.4 -8.3 49 63 A E G < 5S- 0 0 88 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.180 122.3-105.7-103.8 15.6 15.7 23.9 -9.8 50 64 A S T < 5S+ 0 0 48 -3,-1.2 20,-1.5 1,-0.2 2,-0.4 0.834 74.2 144.7 64.3 35.3 15.2 25.3 -13.4 51 65 A V E < - B 0 69A 20 -5,-2.0 -1,-0.2 18,-0.2 18,-0.2 -0.909 34.4-163.6-107.9 133.7 11.7 23.6 -13.6 52 66 A T E - B 0 68A 53 16,-2.8 16,-2.1 -2,-0.4 2,-0.3 -0.965 10.0-152.1-116.0 116.3 8.8 25.1 -15.4 53 67 A P E - B 0 67A 6 0, 0.0 -46,-2.2 0, 0.0 2,-0.3 -0.639 15.3-177.5 -85.8 142.7 5.3 23.7 -14.6 54 68 A Y E -AB 6 66A 18 12,-2.8 12,-2.1 -2,-0.3 2,-0.5 -0.938 22.2-134.5-132.6 159.2 2.4 23.8 -17.1 55 69 A I E -AB 5 65A 0 -50,-3.0 -50,-2.0 -2,-0.3 2,-0.4 -0.971 21.5-135.3-113.0 126.0 -1.3 22.9 -17.3 56 70 A A E -AB 4 64A 0 8,-2.1 7,-3.0 -2,-0.5 8,-1.1 -0.691 23.9-157.7 -80.3 129.6 -2.5 20.9 -20.3 57 71 A M E +AB 3 62A 33 -54,-2.9 -54,-1.9 -2,-0.4 2,-0.3 -0.843 16.5 178.7-114.0 144.2 -5.8 22.3 -21.6 58 72 A L E > S- B 0 61A 28 3,-2.5 3,-1.5 -2,-0.3 -56,-0.1 -0.871 76.3 -19.2-149.3 112.6 -8.5 20.6 -23.7 59 73 A N T 3 S- 0 0 151 -58,-0.5 -57,-0.1 -2,-0.3 -2,-0.0 0.896 128.4 -51.8 54.8 42.4 -11.8 22.4 -24.7 60 74 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.341 118.3 107.8 82.3 -5.8 -11.2 24.9 -21.9 61 75 A E E < S-B 58 0A 133 -3,-1.5 -3,-2.5 2,-0.0 2,-0.4 -0.869 73.4-117.3-108.9 138.2 -10.7 22.3 -19.2 62 76 A P E +B 57 0A 37 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.596 36.8 167.8 -69.0 125.9 -7.5 21.4 -17.4 63 77 A I E - 0 0 5 -7,-3.0 32,-3.0 -2,-0.4 33,-0.6 0.403 54.6 -8.8-122.1 -3.2 -6.7 17.7 -18.2 64 78 A G E -BC 56 94A 0 -8,-1.1 -8,-2.1 30,-0.3 2,-0.3 -0.996 55.5-109.0-177.9 179.0 -3.1 17.4 -17.0 65 79 A Y E +BC 55 93A 0 28,-1.7 28,-2.7 -2,-0.3 2,-0.3 -0.941 26.5 179.5-128.5 144.6 0.2 18.6 -15.7 66 80 A A E -BC 54 92A 0 -12,-2.1 -12,-2.8 -2,-0.3 2,-0.3 -0.952 9.2-158.8-142.8 162.8 3.6 18.9 -17.3 67 81 A Q E -BC 53 91A 24 24,-2.5 24,-1.8 -2,-0.3 2,-0.3 -0.997 2.3-166.0-140.2 137.8 7.2 20.1 -16.5 68 82 A S E -BC 52 90A 5 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.3 -0.917 16.2-176.7-115.9 153.9 10.1 21.2 -18.5 69 83 A Y E -BC 51 89A 14 20,-1.7 20,-2.3 -2,-0.3 2,-0.8 -0.997 34.3-116.6-147.3 149.5 13.6 21.5 -16.9 70 84 A V E > - C 0 88A 39 -20,-1.5 3,-0.7 -2,-0.3 18,-0.2 -0.813 28.0-153.8 -82.7 110.8 17.1 22.6 -17.9 71 85 A A G > S+ 0 0 0 16,-1.3 3,-1.6 -2,-0.8 4,-0.3 0.921 94.2 50.5 -56.4 -48.3 19.0 19.3 -17.5 72 86 A L G 3 S+ 0 0 82 12,-0.4 3,-0.3 15,-0.4 -1,-0.3 0.767 107.6 57.0 -57.6 -27.2 22.3 21.0 -16.8 73 87 A G G < S+ 0 0 33 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.247 84.0 94.9 -88.6 13.8 20.5 23.1 -14.1 74 88 A S < + 0 0 18 -3,-1.6 -1,-0.2 4,-0.2 -2,-0.1 0.864 52.9 172.1 -82.9 -45.0 19.3 20.1 -12.2 75 89 A G > + 0 0 35 3,-0.4 3,-2.5 -3,-0.3 -1,-0.1 -0.057 42.9 84.0 59.4-161.6 21.7 19.4 -9.3 76 90 A D T 3 S- 0 0 129 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 0.766 127.7 -45.9 17.5 57.6 21.3 16.9 -6.4 77 91 A G T 3 S+ 0 0 41 1,-0.2 3,-0.5 76,-0.1 2,-0.4 0.367 105.3 132.0 88.3 -4.3 22.6 13.9 -8.5 78 92 A W S < S- 0 0 50 -3,-2.5 -3,-0.4 1,-0.2 -1,-0.2 -0.704 80.0 -19.1 -89.0 126.5 20.5 14.6 -11.6 79 93 A W S > S+ 0 0 33 -2,-0.4 3,-1.4 1,-0.1 -1,-0.2 0.871 73.4 166.6 48.4 49.8 22.2 14.6 -15.0 80 94 A E T 3 S+ 0 0 117 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.686 72.0 55.2 -65.2 -21.4 25.7 15.0 -13.6 81 95 A E T 3 S+ 0 0 177 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.446 80.5 114.7 -95.6 -1.0 27.2 14.1 -17.0 82 96 A E < + 0 0 34 -3,-1.4 0, 0.0 1,-0.1 0, 0.0 -0.487 28.4 165.0 -71.9 137.3 25.3 16.8 -18.9 83 97 A T + 0 0 121 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.429 50.1 91.6-122.4 -12.0 27.4 19.5 -20.5 84 98 A D > - 0 0 54 1,-0.1 3,-1.6 2,-0.0 -12,-0.4 -0.799 54.4-163.4 -98.7 111.2 25.0 21.1 -22.9 85 99 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.635 87.5 68.7 -64.8 -12.7 22.9 24.1 -21.6 86 100 A G T 3 S+ 0 0 3 36,-0.1 37,-1.3 -16,-0.1 38,-0.9 0.546 74.8 106.2 -83.6 -10.1 20.5 23.5 -24.5 87 101 A V E < - d 0 124A 0 -3,-1.6 -16,-1.3 36,-0.2 -15,-0.4 -0.529 48.4-172.3 -75.8 133.4 19.1 20.2 -23.3 88 102 A R E -Cd 70 125A 24 36,-2.4 38,-3.1 -2,-0.3 2,-0.3 -0.940 7.4-154.8-118.3 147.5 15.6 20.1 -21.8 89 103 A G E -Cd 69 126A 0 -20,-2.3 -20,-1.7 -2,-0.4 2,-0.3 -0.868 9.3-153.7-114.2 157.9 13.8 17.3 -20.0 90 104 A I E +C 68 0A 0 36,-1.7 38,-0.5 -2,-0.3 2,-0.3 -0.958 14.6 176.9-130.4 151.1 10.1 16.7 -19.7 91 105 A D E +C 67 0A 39 -24,-1.8 -24,-2.5 -2,-0.3 2,-0.3 -0.967 15.8 165.2-139.2 153.6 7.7 15.0 -17.4 92 106 A Q E -C 66 0A 31 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.997 18.1-163.8-165.5 163.9 3.9 14.8 -17.5 93 107 A L E -C 65 0A 15 -28,-2.7 -28,-1.7 -2,-0.3 2,-0.5 -0.987 21.7-128.2-149.3 152.1 0.6 13.3 -16.4 94 108 A L E -C 64 0A 20 -2,-0.3 -30,-0.3 -30,-0.2 6,-0.1 -0.912 18.2-146.7-102.9 132.6 -3.0 13.1 -17.4 95 109 A A S S+ 0 0 0 -32,-3.0 2,-0.5 -2,-0.5 -31,-0.2 0.818 76.5 61.3 -69.0 -35.8 -5.4 14.0 -14.6 96 110 A N > - 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