==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-07 2PRB . 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 . 173 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 66.5 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 . 38 22.0 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 . 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 23.1 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 2 1 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 1 1 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 0 115 0, 0.0 59,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.5 6.4 20.1 -7.1 2 13 A V E -A 59 0A 14 57,-0.1 2,-0.3 58,-0.1 57,-0.2 -0.831 360.0-177.4 -98.9 127.8 4.3 20.3 -10.3 3 14 A T E -A 58 0A 80 55,-2.2 55,-3.1 -2,-0.5 2,-0.4 -0.773 16.6-131.9-117.4 166.3 2.7 23.6 -11.2 4 15 A L E +A 57 0A 38 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.967 19.3 178.8-124.1 136.1 0.4 24.6 -14.0 5 16 A R E -A 56 0A 82 51,-2.2 51,-2.9 -2,-0.4 2,-0.1 -0.921 40.6 -92.1-124.8 156.0 0.5 27.6 -16.4 6 17 A L E -A 55 0A 116 -2,-0.3 49,-0.3 49,-0.2 2,-0.2 -0.419 42.9-119.7 -61.5 138.0 -1.8 28.6 -19.2 7 18 A M - 0 0 7 47,-2.3 2,-0.2 60,-0.1 -1,-0.1 -0.598 31.8-160.9 -75.5 144.2 -0.7 27.2 -22.6 8 19 A T > - 0 0 57 -2,-0.2 3,-1.8 36,-0.0 4,-0.3 -0.731 36.3 -98.8-117.6 170.9 -0.0 29.8 -25.3 9 20 A E G > S+ 0 0 133 1,-0.3 3,-1.3 -2,-0.2 4,-0.3 0.811 120.5 66.2 -55.8 -31.6 0.2 29.7 -29.1 10 21 A H G 3 S+ 0 0 174 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.602 95.0 57.3 -68.1 -13.3 4.0 29.5 -28.6 11 22 A D G <> S+ 0 0 16 -3,-1.8 4,-2.6 1,-0.1 -1,-0.2 0.535 80.3 91.3 -92.1 -9.3 3.6 26.0 -27.0 12 23 A L H <> S+ 0 0 7 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.1 0.841 83.5 50.2 -61.2 -40.9 1.8 24.5 -30.0 13 24 A A H > S+ 0 0 63 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.889 113.3 47.7 -64.0 -40.4 4.9 23.2 -31.9 14 25 A M H > S+ 0 0 48 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.919 111.9 49.4 -63.0 -46.3 6.1 21.5 -28.6 15 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.877 105.8 58.2 -61.9 -39.1 2.6 20.0 -28.0 16 27 A Y H < S+ 0 0 86 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.924 106.5 47.7 -55.2 -47.5 2.7 18.7 -31.6 17 28 A E H >< S+ 0 0 107 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.928 112.4 49.6 -59.8 -46.2 5.8 16.8 -30.9 18 29 A W H >< S+ 0 0 9 -4,-2.0 3,-1.9 1,-0.2 6,-0.3 0.901 104.4 57.8 -59.1 -44.5 4.4 15.4 -27.7 19 30 A L T 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.551 105.2 52.5 -69.1 -7.7 1.1 14.3 -29.3 20 31 A N T < S+ 0 0 50 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.3 0.302 81.1 112.2-108.8 5.8 3.1 12.1 -31.8 21 32 A R S X> S- 0 0 64 -3,-1.9 4,-2.7 -4,-0.2 3,-1.5 -0.641 75.4-123.7 -78.9 137.3 5.1 10.2 -29.1 22 33 A S H 3> S+ 0 0 91 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.817 108.6 54.8 -54.0 -39.5 4.1 6.5 -28.9 23 34 A H H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.765 115.7 40.3 -68.5 -24.4 3.1 6.6 -25.2 24 35 A I H X> S+ 0 0 11 -3,-1.5 4,-3.0 -6,-0.3 3,-1.5 0.877 109.9 57.7 -85.5 -46.2 0.7 9.4 -25.9 25 36 A V H 3< S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.843 99.3 60.3 -53.5 -38.5 -0.6 8.1 -29.2 26 37 A E T 3< S+ 0 0 124 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.712 123.6 15.5 -68.7 -19.3 -1.8 4.9 -27.6 27 38 A W T <4 S+ 0 0 91 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.688 92.7 106.0-121.9 -32.5 -4.2 6.6 -25.2 28 39 A W < 0 0 53 -4,-3.0 66,-0.0 1,-0.2 -4,-0.0 -0.387 360.0 360.0 -70.2 121.6 -4.8 10.3 -26.2 29 40 A G 0 0 87 -2,-0.3 -1,-0.2 -3,-0.0 -4,-0.1 0.130 360.0 360.0 -78.6 360.0 -8.3 10.8 -27.7 30 ! 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 31 44 A A 0 0 106 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -40.9 -4.4 9.8 -33.3 32 45 A R - 0 0 161 -12,-0.0 -12,-0.1 -7,-0.0 -13,-0.0 -0.676 360.0-159.7-130.3 78.6 -1.3 11.2 -35.0 33 46 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -14,-0.0 -0.289 10.9-130.7 -69.0 139.8 -2.0 14.9 -35.6 34 47 A T > - 0 0 74 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.289 33.7-100.5 -70.6 169.3 -0.1 16.9 -38.2 35 48 A L H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 127.3 50.8 -58.5 -45.1 1.4 20.2 -37.1 36 49 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 107.3 54.8 -59.4 -40.3 -1.5 22.0 -38.9 37 50 A D H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.929 111.7 43.3 -56.8 -49.5 -4.0 19.7 -37.0 38 51 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.925 114.1 50.1 -64.1 -46.4 -2.5 20.7 -33.6 39 52 A Q H < S+ 0 0 91 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.856 116.2 42.4 -60.4 -37.5 -2.3 24.4 -34.6 40 53 A E H < S+ 0 0 127 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.781 124.4 33.5 -80.5 -30.0 -6.0 24.4 -35.7 41 54 A Q H < S+ 0 0 100 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.741 121.1 41.0-101.4 -28.6 -7.4 22.4 -32.9 42 55 A Y S < S+ 0 0 26 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.416 72.6 127.2-107.8 -0.4 -5.3 23.3 -29.8 43 56 A L >> - 0 0 38 -4,-0.5 4,-2.5 -5,-0.3 3,-1.2 -0.405 67.5-126.3 -53.7 125.9 -5.0 27.0 -30.2 44 57 A P H 3> S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.847 109.4 51.9 -49.9 -39.5 -6.2 28.4 -26.9 45 58 A S H 34 S+ 0 0 69 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.794 111.3 48.1 -67.8 -28.7 -8.8 30.7 -28.6 46 59 A V H X4 S+ 0 0 58 -3,-1.2 3,-1.0 2,-0.2 4,-0.4 0.907 111.0 48.8 -75.4 -45.9 -10.1 27.7 -30.6 47 60 A L H ><>S+ 0 0 19 -4,-2.5 5,-2.3 1,-0.2 3,-1.6 0.850 101.5 67.0 -60.4 -33.9 -10.4 25.5 -27.5 48 61 A A G ><5S+ 0 0 55 -4,-1.9 3,-1.6 -5,-0.3 -1,-0.2 0.792 88.8 65.5 -55.4 -32.1 -12.2 28.4 -25.7 49 62 A Q G < 5S+ 0 0 147 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.734 106.2 42.1 -66.2 -23.5 -15.1 28.0 -28.2 50 63 A E G < 5S- 0 0 96 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.110 123.2-104.5-106.9 20.1 -15.8 24.6 -26.6 51 64 A S T < 5S+ 0 0 48 -3,-1.6 20,-1.5 1,-0.2 2,-0.4 0.829 75.8 143.3 58.5 36.6 -15.2 25.8 -23.0 52 65 A V E < - B 0 70A 20 -5,-2.3 18,-0.2 18,-0.2 -1,-0.2 -0.914 35.4-162.6-109.4 132.0 -11.8 24.1 -22.9 53 66 A T E - B 0 69A 53 16,-3.1 16,-2.0 -2,-0.4 2,-0.3 -0.963 11.2-148.1-113.9 118.8 -8.7 25.6 -21.2 54 67 A P E - B 0 68A 6 0, 0.0 -47,-2.3 0, 0.0 2,-0.3 -0.677 16.5-174.5 -86.9 141.2 -5.3 24.3 -22.1 55 68 A Y E -AB 6 67A 17 12,-3.1 12,-2.2 -2,-0.3 2,-0.5 -0.940 20.7-140.3-129.4 153.0 -2.4 24.1 -19.5 56 69 A I E -AB 5 66A 0 -51,-2.9 -51,-2.2 -2,-0.3 2,-0.4 -0.969 22.5-137.1-109.1 127.6 1.3 23.3 -19.5 57 70 A A E -AB 4 65A 0 8,-2.3 7,-2.9 -2,-0.5 8,-1.1 -0.706 22.1-157.4 -84.0 134.4 2.5 21.3 -16.5 58 71 A M E +AB 3 63A 33 -55,-3.1 -55,-2.2 -2,-0.4 2,-0.3 -0.906 17.4 178.8-119.5 140.0 5.9 22.5 -15.2 59 72 A L E > S-AB 2 62A 27 3,-2.7 3,-1.5 -2,-0.4 -57,-0.1 -0.953 76.2 -19.6-141.0 121.1 8.6 20.9 -13.0 60 73 A N T 3 S- 0 0 146 -59,-0.5 -58,-0.1 -2,-0.3 -1,-0.0 0.862 128.8 -48.8 48.7 44.9 11.8 22.6 -12.0 61 74 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.507 119.0 107.4 80.0 6.9 11.4 25.2 -14.8 62 75 A E E < S-B 59 0A 130 -3,-1.5 -3,-2.7 2,-0.0 2,-0.4 -0.944 73.6-117.5-121.0 136.2 10.7 22.6 -17.5 63 76 A P E +B 58 0A 36 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.587 37.6 166.4 -68.8 124.5 7.5 21.7 -19.3 64 77 A I E - 0 0 4 -7,-2.9 32,-2.6 -2,-0.4 33,-0.6 0.416 54.9 -4.7-119.8 -5.0 6.6 18.1 -18.4 65 78 A G E -BC 57 95A 0 -8,-1.1 -8,-2.3 30,-0.3 2,-0.4 -0.996 55.2-114.5-174.5 174.9 3.0 17.7 -19.6 66 79 A Y E -BC 56 94A 0 28,-1.8 28,-2.6 -2,-0.3 2,-0.3 -0.960 27.5-179.9-126.3 143.7 -0.2 19.0 -21.0 67 80 A A E -BC 55 93A 0 -12,-2.2 -12,-3.1 -2,-0.4 2,-0.4 -0.966 10.4-158.7-141.1 158.5 -3.6 19.3 -19.4 68 81 A Q E -BC 54 92A 22 24,-2.9 24,-2.0 -2,-0.3 2,-0.4 -0.997 2.0-168.9-134.2 139.4 -7.2 20.5 -20.2 69 82 A S E -BC 53 91A 5 -16,-2.0 -16,-3.1 -2,-0.4 2,-0.3 -0.950 15.4-177.5-119.4 151.1 -10.1 21.6 -18.1 70 83 A Y E -BC 52 90A 13 20,-2.1 20,-2.5 -2,-0.4 2,-0.8 -0.989 34.6-115.5-145.7 152.1 -13.6 22.1 -19.5 71 84 A V E > - C 0 89A 38 -20,-1.5 3,-1.5 -2,-0.3 4,-0.3 -0.828 27.6-153.0 -85.2 111.3 -17.1 23.2 -18.5 72 85 A A G > S+ 0 0 2 16,-1.3 3,-1.5 -2,-0.8 -1,-0.2 0.873 93.2 55.7 -56.3 -41.5 -19.1 19.9 -19.0 73 86 A L G 3 S+ 0 0 84 15,-0.4 -1,-0.3 12,-0.3 16,-0.1 0.730 108.2 50.4 -62.7 -22.9 -22.3 21.9 -19.6 74 87 A G G < S+ 0 0 31 -3,-1.5 -1,-0.3 -23,-0.1 -2,-0.2 0.320 85.2 120.5 -99.3 5.9 -20.6 23.7 -22.5 75 88 A S < - 0 0 30 -3,-1.5 3,-0.1 -4,-0.3 -24,-0.1 -0.183 67.7 -88.4 -68.2 163.9 -19.2 20.7 -24.2 76 89 A G > - 0 0 19 1,-0.2 3,-1.9 -26,-0.1 -1,-0.1 0.039 62.6 -55.3 -68.5 176.2 -20.0 19.8 -27.9 77 90 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.272 125.7 16.6 -56.8 131.1 -22.9 17.7 -29.3 78 91 A G T 3 S+ 0 0 42 1,-0.2 2,-0.5 -3,-0.1 3,-0.4 0.106 99.9 113.7 93.4 -20.7 -23.1 14.2 -27.8 79 92 A W S < S- 0 0 66 -3,-1.9 -1,-0.2 1,-0.2 -4,-0.1 -0.751 92.3 -21.2 -91.8 125.4 -20.8 15.1 -24.8 80 93 A W S > S+ 0 0 36 -2,-0.5 3,-1.3 1,-0.1 -1,-0.2 0.848 75.7 165.7 49.8 47.3 -22.2 15.2 -21.3 81 94 A E T 3 + 0 0 119 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.662 70.0 54.9 -70.2 -17.8 -25.8 15.5 -22.6 82 95 A E T 3 S+ 0 0 183 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.567 82.5 114.1 -90.4 -10.7 -27.3 14.7 -19.2 83 96 A E < + 0 0 36 -3,-1.3 0, 0.0 1,-0.1 0, 0.0 -0.340 28.0 162.8 -66.0 139.5 -25.4 17.4 -17.3 84 97 A T + 0 0 121 1,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.410 49.8 91.6-129.9 -12.0 -27.4 20.3 -15.8 85 98 A D > - 0 0 55 1,-0.1 3,-1.6 2,-0.0 -12,-0.3 -0.819 54.2-163.5 -97.9 112.5 -24.9 21.7 -13.3 86 99 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.629 86.7 69.7 -68.5 -13.4 -22.7 24.6 -14.8 87 100 A G T 3 S+ 0 0 2 36,-0.1 37,-1.9 -16,-0.1 38,-0.9 0.519 74.0 107.3 -79.8 -8.1 -20.3 24.1 -11.9 88 101 A V E < - 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