==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 30-AUG-11 3TM0 . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR A.M.BERGHUIS,D.H.FONG . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 15.6 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 . 3 1.1 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 0.4 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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 0 1 0 0 3 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 0 3 0 3 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 2 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 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 A 0 0 133 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.5 35.0 53.5 34.3 2 3 A K - 0 0 190 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.552 360.0 -15.2 58.3 -99.9 35.1 56.9 32.5 3 4 A M - 0 0 88 -2,-0.9 3,-0.0 1,-0.1 0, 0.0 -0.920 37.8-144.4-134.7 157.0 37.7 56.4 29.8 4 5 A R S S+ 0 0 120 -2,-0.3 2,-0.3 2,-0.1 77,-0.2 0.654 94.8 52.1 -87.6 -19.8 40.5 54.0 28.7 5 6 A I S S- 0 0 27 75,-0.1 80,-0.0 1,-0.0 75,-0.0 -0.886 92.3-109.9-116.2 150.4 42.5 57.0 27.4 6 7 A S > - 0 0 3 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.274 30.2-108.1 -72.6 162.9 43.4 60.2 29.2 7 8 A P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.846 120.7 50.7 -57.8 -36.8 41.9 63.6 28.4 8 9 A E H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 110.1 47.9 -72.2 -41.5 45.2 64.7 26.9 9 10 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 111.7 51.2 -60.8 -43.3 45.5 61.6 24.7 10 11 A K H X S+ 0 0 106 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.895 108.4 52.0 -59.9 -40.9 41.9 62.1 23.6 11 12 A K H < S+ 0 0 145 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.897 106.9 54.6 -61.3 -40.2 42.7 65.8 22.7 12 13 A L H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 119.9 29.6 -60.4 -35.8 45.7 64.5 20.7 13 14 A I H >< S+ 0 0 23 -4,-1.5 3,-1.8 -3,-0.2 -1,-0.2 0.454 86.4 99.6-109.3 -1.5 43.5 62.2 18.5 14 15 A E T 3< S+ 0 0 115 -4,-1.4 -1,-0.1 -3,-0.3 -2,-0.1 0.780 80.9 57.2 -64.7 -29.6 40.0 63.8 18.3 15 16 A K T 3 S+ 0 0 118 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.655 96.7 87.1 -69.7 -16.1 40.6 65.3 14.9 16 17 A Y S < S- 0 0 38 -3,-1.8 2,-0.7 19,-0.1 19,-0.2 -0.588 79.7-126.2 -89.4 145.3 41.3 61.8 13.6 17 18 A R E -A 34 0A 203 17,-2.7 17,-2.9 -2,-0.2 2,-0.4 -0.827 29.9-138.0 -84.5 115.0 38.8 59.2 12.3 18 19 A a E -A 33 0A 78 -2,-0.7 2,-0.5 15,-0.2 15,-0.2 -0.605 22.2-176.8 -77.8 125.1 39.5 56.0 14.3 19 20 A V E -A 32 0A 75 13,-3.4 13,-3.1 -2,-0.4 2,-0.3 -0.984 23.9-130.3-121.8 121.0 39.4 52.7 12.3 20 21 A K E -A 31 0A 89 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.543 20.6-124.3 -75.6 128.6 39.9 49.5 14.2 21 22 A D - 0 0 45 9,-2.4 9,-0.3 -2,-0.3 -1,-0.1 -0.561 25.5-175.0 -70.4 130.0 42.5 47.1 12.8 22 23 A T + 0 0 117 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 0.864 65.6 72.3 -95.3 -44.3 41.0 43.7 12.1 23 24 A E S S+ 0 0 157 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.665 77.1 86.0 -77.7 103.8 44.1 41.6 11.0 24 25 A G - 0 0 52 -2,-1.0 6,-0.1 -3,-0.0 0, 0.0 -0.454 50.0-167.7 158.8 117.6 45.9 41.2 14.3 25 26 A M + 0 0 193 -2,-0.2 -2,-0.0 2,-0.0 -3,-0.0 -0.012 49.5 107.8-120.7 29.2 45.2 38.4 16.9 26 27 A S S S- 0 0 56 2,-0.2 -2,-0.0 1,-0.0 28,-0.0 -0.446 83.5-100.8 -93.0 173.9 47.1 39.5 20.0 27 28 A P S S+ 0 0 37 0, 0.0 19,-0.4 0, 0.0 2,-0.2 0.390 95.1 97.4 -71.3 -3.0 45.6 40.9 23.3 28 29 A A S S- 0 0 12 17,-0.1 2,-0.5 27,-0.0 17,-0.2 -0.605 72.8-133.2 -84.8 151.3 46.5 44.4 22.2 29 30 A K E - B 0 44A 62 15,-2.9 15,-2.5 -2,-0.2 2,-0.4 -0.910 21.3-163.1 -98.7 135.5 43.9 46.7 20.6 30 31 A V E - B 0 43A 30 -2,-0.5 -9,-2.4 -9,-0.3 2,-0.4 -0.984 7.0-175.2-122.8 127.7 45.2 48.5 17.5 31 32 A Y E -AB 20 42A 48 11,-2.7 11,-2.6 -2,-0.4 2,-0.5 -0.983 17.9-144.7-126.4 128.0 43.5 51.5 16.0 32 33 A K E -AB 19 41A 66 -13,-3.1 -13,-3.4 -2,-0.4 2,-0.7 -0.787 15.7-152.9 -86.8 129.7 44.4 53.3 12.8 33 34 A L E -AB 18 40A 3 7,-3.5 7,-2.4 -2,-0.5 2,-0.7 -0.921 6.7-154.7-110.7 110.2 43.8 57.1 13.2 34 35 A V E +AB 17 39A 54 -17,-2.9 -17,-2.7 -2,-0.7 5,-0.2 -0.776 20.4 174.4 -93.8 112.7 43.0 58.7 9.8 35 36 A G - 0 0 16 3,-1.6 -19,-0.1 -2,-0.7 -22,-0.0 -0.505 45.5 -98.4-109.1 179.5 43.9 62.4 9.7 36 37 A E S S+ 0 0 160 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.850 118.8 15.4 -64.7 -35.7 43.9 65.1 7.0 37 38 A N S S+ 0 0 131 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.397 131.5 2.3-124.3 -4.4 47.7 64.8 6.3 38 39 A E - 0 0 81 -5,-0.0 -3,-1.6 2,-0.0 2,-0.3 -0.961 64.1-114.1-171.8 162.0 48.8 61.5 7.9 39 40 A N E -B 34 0A 33 -2,-0.3 52,-0.9 -5,-0.2 2,-0.3 -0.864 25.0-165.3-102.9 147.4 47.7 58.4 9.7 40 41 A L E -BC 33 90A 15 -7,-2.4 -7,-3.5 -2,-0.3 2,-0.4 -0.838 11.4-137.7-118.7 165.7 48.7 57.5 13.3 41 42 A Y E -BC 32 89A 61 48,-2.5 48,-3.0 -2,-0.3 2,-0.5 -0.982 9.1-162.7-123.6 140.3 48.4 54.3 15.1 42 43 A L E -BC 31 88A 7 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.989 9.5-173.3-120.5 125.9 47.2 53.8 18.7 43 44 A K E -BC 30 87A 19 44,-2.7 44,-2.9 -2,-0.5 2,-0.4 -0.976 4.3-176.0-125.6 133.7 48.0 50.5 20.4 44 45 A M E -BC 29 86A 6 -15,-2.5 -15,-2.9 -2,-0.4 2,-0.3 -0.983 11.5-177.6-136.9 136.8 46.7 49.5 23.9 45 46 A T E - C 0 85A 0 40,-1.8 40,-2.9 -2,-0.4 -17,-0.1 -0.972 25.9-123.2-127.0 148.0 47.1 46.6 26.3 46 47 A D > - 0 0 20 -19,-0.4 3,-2.0 -2,-0.3 38,-0.2 -0.353 34.4 -94.4 -87.2 172.6 45.4 46.1 29.7 47 48 A S G > S+ 0 0 74 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.705 114.5 74.2 -61.0 -24.7 47.0 45.6 33.1 48 49 A R G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 7,-0.1 0.831 100.3 46.5 -57.6 -27.9 46.8 41.8 32.9 49 50 A Y G X S+ 0 0 16 -3,-2.0 3,-2.0 5,-0.1 6,-0.4 0.319 78.7 134.2-100.8 7.4 49.7 42.0 30.4 50 51 A K T < S+ 0 0 92 -3,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.344 76.7 14.8 -57.4 128.7 51.9 44.4 32.3 51 52 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.321 104.1 107.1 91.3 -10.6 55.5 43.1 32.3 52 53 A T S X S- 0 0 3 -3,-2.0 3,-1.8 1,-0.1 -1,-0.3 -0.496 88.7-101.3 -95.2 170.8 55.0 40.6 29.5 53 54 A T T 3 S+ 0 0 5 1,-0.3 158,-0.1 -2,-0.2 -3,-0.1 0.358 123.2 62.2 -75.8 7.7 56.3 40.8 26.0 54 55 A Y T 3 S+ 0 0 22 -5,-0.4 -1,-0.3 155,-0.1 2,-0.2 0.588 75.9 119.0 -93.6 -18.6 52.7 41.9 25.0 55 56 A D X> - 0 0 6 -3,-1.8 4,-2.0 -6,-0.4 3,-0.8 -0.269 58.0-152.2 -57.0 112.9 53.1 44.9 27.2 56 57 A V H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.756 95.9 60.7 -57.1 -25.6 52.7 48.0 25.0 57 58 A E H 3> S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 105.1 47.5 -66.2 -37.3 54.9 49.9 27.5 58 59 A R H <> S+ 0 0 26 -3,-0.8 4,-2.1 -6,-0.2 -2,-0.2 0.895 111.5 51.1 -70.9 -38.9 57.7 47.5 26.8 59 60 A E H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.897 108.0 52.7 -60.4 -45.3 57.1 47.9 23.1 60 61 A K H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 107.4 51.7 -56.4 -46.3 57.3 51.7 23.6 61 62 A D H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.922 112.7 44.7 -58.5 -45.8 60.7 51.4 25.3 62 63 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.884 110.0 55.5 -67.8 -36.8 62.1 49.3 22.5 63 64 A M H X S+ 0 0 2 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.926 111.6 43.9 -62.0 -43.7 60.6 51.6 19.9 64 65 A L H >< S+ 0 0 88 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.925 114.2 49.4 -63.9 -46.4 62.4 54.6 21.5 65 66 A W H 3< S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.8 55.2 -63.8 -33.0 65.6 52.7 21.9 66 67 A L H >X S+ 0 0 0 -4,-2.2 3,-3.3 -5,-0.2 4,-2.4 0.659 76.0 116.8 -78.6 -14.9 65.5 51.6 18.3 67 68 A E T << S+ 0 0 108 -3,-0.9 7,-0.0 -4,-0.7 -3,-0.0 -0.336 87.8 14.9 -58.6 127.8 65.3 55.1 16.8 68 69 A G T 34 S+ 0 0 85 2,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.328 124.8 65.1 86.3 -7.6 68.4 55.6 14.8 69 70 A K T <4 S+ 0 0 79 -3,-3.3 -2,-0.2 1,-0.5 -3,-0.1 0.742 113.8 7.2-111.3 -46.5 69.2 51.9 14.8 70 71 A L S < S- 0 0 6 -4,-2.4 2,-0.6 135,-0.1 -1,-0.5 -0.972 86.7 -99.3-132.3 150.3 66.3 50.4 12.9 71 72 A P + 0 0 55 0, 0.0 134,-1.9 0, 0.0 -4,-0.1 -0.614 62.7 150.9 -70.4 119.4 63.6 52.1 10.9 72 73 A V - 0 0 29 -2,-0.6 134,-0.1 132,-0.3 -4,-0.1 -0.919 49.6 -78.2-142.7 165.0 60.6 52.1 13.3 73 74 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.214 49.9-106.8 -62.1 160.5 57.6 54.3 14.0 74 75 A K - 0 0 103 17,-0.1 16,-2.1 -7,-0.0 2,-0.6 -0.769 27.4-126.4 -85.2 132.6 58.0 57.5 16.0 75 76 A V E +D 89 0A 27 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.722 34.3 171.1 -77.8 120.1 56.6 57.4 19.5 76 77 A L E - 0 0 84 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.759 62.7 -3.3-103.3 -33.2 54.3 60.4 19.8 77 78 A H E -D 88 0A 45 11,-1.9 11,-2.8 2,-0.0 -1,-0.4 -0.966 55.2-176.6-159.6 141.9 52.7 59.7 23.2 78 79 A F E +D 87 0A 44 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 16.0 154.4-135.3 148.7 52.7 57.1 25.9 79 80 A E E -D 86 0A 19 7,-1.6 7,-3.0 -2,-0.3 2,-0.5 -0.981 38.4-129.6-161.7 157.3 50.6 56.8 29.1 80 81 A R E +D 85 0A 149 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 33.2 178.7-108.2 123.6 49.2 54.5 31.6 81 82 A H E > -D 84 0A 36 3,-2.8 3,-2.3 -2,-0.5 -2,-0.0 -0.944 61.2 -33.8-133.9 113.6 45.5 55.2 32.2 82 83 A D T 3 S- 0 0 106 -2,-0.4 -35,-0.1 1,-0.3 3,-0.1 0.892 127.7 -37.6 44.3 56.3 43.3 53.2 34.6 83 84 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -37,-0.1 2,-0.2 0.002 118.1 111.1 92.5 -28.6 45.1 49.9 34.0 84 85 A W E < - D 0 81A 30 -3,-2.3 -3,-2.8 -38,-0.2 2,-0.6 -0.557 56.6-149.9 -86.0 139.7 45.6 50.5 30.3 85 86 A S E -CD 45 80A 3 -40,-2.9 -40,-1.8 -2,-0.2 2,-0.5 -0.960 23.0-166.3-104.2 119.9 49.0 51.1 28.7 86 87 A N E -CD 44 79A 0 -7,-3.0 -7,-1.6 -2,-0.6 2,-0.5 -0.933 11.4-172.4-118.4 125.2 48.5 53.3 25.6 87 88 A L E -CD 43 78A 0 -44,-2.9 -44,-2.7 -2,-0.5 2,-0.5 -0.955 3.9-168.6-118.1 117.3 51.0 54.0 22.8 88 89 A L E +CD 42 77A 5 -11,-2.8 -12,-2.7 -2,-0.5 -11,-1.9 -0.900 23.3 166.0 -99.7 126.8 50.4 56.6 20.0 89 90 A M E -CD 41 75A 15 -48,-3.0 -48,-2.5 -2,-0.5 -14,-0.2 -0.875 35.8 -99.2-137.1 163.8 52.9 56.3 17.2 90 91 A S E -C 40 0A 33 -16,-2.1 2,-0.3 -2,-0.3 -50,-0.2 -0.346 49.8 -89.4 -76.8 168.3 53.4 57.4 13.6 91 92 A E - 0 0 84 -52,-0.9 -17,-0.1 1,-0.1 -1,-0.1 -0.595 48.0-107.0 -78.4 136.1 52.6 55.3 10.6 92 93 A A - 0 0 11 -2,-0.3 2,-0.4 1,-0.1 112,-0.1 -0.211 36.9-106.1 -60.7 157.9 55.5 53.1 9.4 93 94 A D S S+ 0 0 86 110,-0.5 2,-0.2 103,-0.1 110,-0.2 -0.692 77.8 2.0 -86.7 134.6 57.3 54.1 6.2 94 95 A G S S- 0 0 33 -2,-0.4 2,-0.4 102,-0.1 104,-0.2 -0.583 98.5 -36.4 98.1-156.0 56.6 52.0 3.1 95 96 A V E -E 197 0B 55 102,-2.9 102,-2.7 -2,-0.2 108,-0.2 -0.910 61.5-100.4-117.7 135.9 54.3 49.1 2.3 96 97 A L E >> -E 196 0B 32 -2,-0.4 4,-2.1 100,-0.2 3,-1.1 -0.286 34.0-129.9 -53.7 136.2 53.5 46.1 4.6 97 98 A C H 3> S+ 0 0 6 98,-3.3 4,-2.3 95,-0.3 96,-0.2 0.888 106.7 56.1 -64.3 -39.1 55.8 43.3 3.4 98 99 A S H 34 S+ 0 0 39 94,-2.0 -1,-0.3 97,-0.3 95,-0.1 0.745 112.8 44.6 -62.6 -23.8 53.0 40.8 3.2 99 100 A E H <4 S+ 0 0 136 -3,-1.1 -2,-0.2 93,-0.3 -1,-0.2 0.833 112.5 48.4 -88.9 -36.6 51.2 43.2 0.8 100 101 A E H < S+ 0 0 94 -4,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.905 118.7 33.8 -69.8 -43.0 54.2 44.2 -1.4 101 102 A Y < - 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