==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-01 1J7U . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR D.L.BURK,W.C.HON,A.K.-W.LEUNG,A.M.BERGHUIS . 526 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 15.4 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 . 6 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 . 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 1 0 0 8 0 0 2 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 5 0 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 4 0 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 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 0 103 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.8 0.9 11.9 63.0 2 3 A K + 0 0 89 2,-0.0 2,-0.3 80,-0.0 430,-0.2 -0.531 360.0 152.0 -66.3 114.5 2.5 8.5 63.4 3 4 A M - 0 0 31 -2,-0.5 427,-0.0 427,-0.1 3,-0.0 -0.945 54.6-130.6-141.7 161.3 6.2 9.2 64.2 4 5 A R S S+ 0 0 14 -2,-0.3 2,-0.3 2,-0.1 77,-0.2 0.671 97.9 45.4 -86.8 -18.5 9.0 7.6 66.1 5 6 A I S S- 0 0 2 75,-0.1 75,-0.0 77,-0.0 80,-0.0 -0.889 90.5-110.0-122.7 153.9 9.7 10.8 68.0 6 7 A S > - 0 0 4 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.356 30.7-107.8 -79.0 162.6 7.2 13.2 69.7 7 8 A P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 120.3 55.0 -56.0 -41.2 6.4 16.7 68.5 8 9 A E H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -3,-0.0 0.936 110.9 42.7 -57.8 -51.2 8.4 18.2 71.4 9 10 A L H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.864 110.9 56.1 -65.5 -36.9 11.5 16.2 70.5 10 11 A K H >< S+ 0 0 39 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.914 109.1 47.5 -61.4 -41.7 11.1 17.0 66.8 11 12 A K H >< S+ 0 0 137 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.866 105.8 59.4 -67.4 -35.0 11.1 20.7 67.7 12 13 A L H 3< S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.675 113.6 36.5 -67.2 -18.3 14.2 20.3 69.9 13 14 A I T X< S+ 0 0 4 -4,-0.9 3,-1.0 -3,-0.7 -1,-0.2 0.195 81.1 104.5-123.3 18.7 16.2 19.0 67.0 14 15 A E T < S+ 0 0 57 -3,-1.0 410,-0.6 1,-0.2 411,-0.2 0.883 79.5 55.6 -65.7 -41.2 15.0 21.0 64.0 15 16 A K T 3 S+ 0 0 200 -4,-0.3 2,-0.3 408,-0.1 21,-0.3 0.419 97.6 86.7 -73.4 1.6 18.1 23.3 63.9 16 17 A Y S < S- 0 0 39 -3,-1.0 2,-0.7 19,-0.1 19,-0.2 -0.782 76.4-129.8-108.2 149.0 20.3 20.2 63.6 17 18 A R E -A 34 0A 151 17,-2.9 17,-3.0 -2,-0.3 2,-0.3 -0.872 27.6-137.5 -98.0 111.2 21.4 18.2 60.6 18 19 A a E +A 33 0A 13 -2,-0.7 2,-0.4 401,-0.4 15,-0.2 -0.533 25.9 174.7 -74.7 128.5 20.8 14.5 61.1 19 20 A V E -A 32 0A 44 13,-2.0 13,-2.2 -2,-0.3 -2,-0.0 -0.914 27.9-130.9-137.0 105.1 23.5 12.1 60.0 20 21 A K E -A 31 0A 88 -2,-0.4 11,-0.2 11,-0.2 2,-0.1 -0.278 29.7-104.0 -58.8 136.8 22.9 8.4 60.9 21 22 A D - 0 0 57 9,-3.0 9,-0.2 1,-0.1 -1,-0.1 -0.343 19.7-147.3 -63.3 139.3 25.8 6.6 62.5 22 23 A T S S+ 0 0 106 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 0.750 88.1 63.2 -80.5 -27.9 27.8 4.2 60.3 23 24 A E + 0 0 106 1,-0.1 -1,-0.1 263,-0.0 264,-0.1 0.982 58.4 157.8 -61.3 -63.8 28.7 1.5 63.0 24 25 A G + 0 0 47 1,-0.2 -1,-0.1 6,-0.1 -2,-0.0 0.674 9.4 149.7 42.5 32.9 25.1 0.4 63.8 25 26 A M + 0 0 142 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.108 59.3 55.1 -80.5 24.7 26.3 -3.0 65.2 26 27 A S S S- 0 0 59 2,-0.3 28,-0.0 1,-0.0 237,-0.0 -0.854 97.3 -98.9-145.0 174.4 23.4 -3.1 67.6 27 28 A P S S+ 0 0 31 0, 0.0 19,-0.2 0, 0.0 2,-0.1 0.746 93.5 97.6 -70.2 -22.5 19.6 -2.8 67.5 28 29 A A S S- 0 0 8 17,-0.1 2,-0.5 1,-0.1 -2,-0.3 -0.417 71.6-135.3 -73.9 140.1 19.8 0.8 68.5 29 30 A K E - B 0 44A 57 15,-2.8 15,-2.1 -2,-0.1 2,-0.5 -0.826 22.2-163.3 -93.6 125.4 19.6 3.7 65.9 30 31 A V E - B 0 43A 32 -2,-0.5 -9,-3.0 13,-0.2 2,-0.4 -0.957 7.0-174.5-116.0 129.9 22.3 6.3 66.6 31 32 A Y E -AB 20 42A 0 11,-2.6 11,-2.4 -2,-0.5 2,-0.6 -0.982 17.9-148.6-129.0 125.8 22.1 9.8 65.0 32 33 A K E -AB 19 41A 58 -13,-2.2 -13,-2.0 -2,-0.4 2,-0.8 -0.816 17.6-152.0 -89.1 120.5 24.7 12.6 65.2 33 34 A L E -AB 18 40A 2 7,-3.4 7,-2.3 -2,-0.6 2,-0.6 -0.863 8.5-150.6-100.2 102.8 22.7 15.8 65.1 34 35 A V E +AB 17 39A 46 -17,-3.0 -17,-2.9 -2,-0.8 2,-0.2 -0.636 21.0 176.2 -78.6 115.2 25.0 18.5 63.6 35 36 A G - 0 0 16 3,-1.5 -19,-0.1 -2,-0.6 -22,-0.0 -0.600 41.9-111.4-110.6 174.3 24.3 22.0 64.8 36 37 A E S S+ 0 0 181 -21,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.920 116.7 21.5 -70.9 -43.9 26.0 25.3 64.2 37 38 A N S S+ 0 0 133 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.724 132.1 1.8 -98.0 -24.9 27.4 25.6 67.7 38 39 A E - 0 0 93 -5,-0.0 -3,-1.5 52,-0.0 2,-0.4 -0.966 61.9-113.9-156.5 170.2 27.4 22.0 68.9 39 40 A N E -B 34 0A 34 -2,-0.3 52,-0.9 -5,-0.2 2,-0.3 -0.933 26.7-171.6-113.7 132.4 26.7 18.3 68.1 40 41 A L E -BC 33 90A 16 -7,-2.3 -7,-3.4 -2,-0.4 2,-0.4 -0.759 11.8-141.3-114.3 164.9 24.0 16.3 69.9 41 42 A Y E -BC 32 89A 66 48,-2.5 48,-3.1 -2,-0.3 2,-0.5 -0.987 7.4-163.4-130.9 140.5 23.3 12.6 69.7 42 43 A L E -BC 31 88A 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.4 -0.988 9.1-177.7-125.0 119.4 20.0 10.8 69.6 43 44 A K E +BC 30 87A 19 44,-2.2 44,-2.6 -2,-0.5 2,-0.3 -0.950 8.3 178.3-116.7 137.1 20.0 7.1 70.3 44 45 A M E -BC 29 86A 0 -15,-2.1 -15,-2.8 -2,-0.4 2,-0.3 -1.000 13.8-165.3-146.4 140.8 16.7 5.1 70.1 45 46 A T E - C 0 85A 0 40,-1.6 40,-2.7 -2,-0.3 -17,-0.1 -0.956 21.8-121.9-124.7 145.5 15.6 1.5 70.6 46 47 A D > - 0 0 22 -2,-0.3 3,-2.3 -19,-0.2 38,-0.2 -0.371 35.4 -95.5 -83.9 164.3 12.3 -0.2 69.6 47 48 A S G > S+ 0 0 62 1,-0.3 3,-1.3 35,-0.2 -1,-0.1 0.627 114.6 72.1 -49.8 -27.1 9.8 -2.0 71.8 48 49 A R G 3 S+ 0 0 85 1,-0.2 -1,-0.3 3,-0.0 7,-0.1 0.721 101.0 47.4 -65.2 -19.6 11.3 -5.5 71.2 49 50 A Y G X S+ 0 0 14 -3,-2.3 3,-2.1 5,-0.1 6,-0.6 0.346 79.6 138.7-103.6 5.7 14.2 -4.4 73.3 50 51 A K T < S+ 0 0 123 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.231 75.9 8.5 -55.0 130.3 12.2 -3.0 76.2 51 52 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.315 104.3 114.1 81.6 -9.8 13.7 -3.9 79.6 52 53 A T S X S- 0 0 6 -3,-2.1 3,-1.2 1,-0.1 -1,-0.3 -0.397 87.7 -99.7 -88.4 170.5 16.8 -5.4 78.1 53 54 A T T 3 S+ 0 0 3 1,-0.3 158,-0.1 -2,-0.1 -1,-0.1 0.397 124.3 59.4 -69.6 4.3 20.4 -4.2 78.5 54 55 A Y T 3 S+ 0 0 23 -5,-0.4 -1,-0.3 156,-0.1 155,-0.1 0.639 75.1 111.6 -99.4 -28.2 19.9 -2.6 75.0 55 56 A D X> - 0 0 7 -3,-1.2 4,-1.4 -6,-0.6 3,-0.6 -0.297 63.0-147.2 -51.0 119.4 16.9 -0.5 76.0 56 57 A V H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.719 96.4 65.1 -66.2 -18.3 18.0 3.2 75.9 57 58 A E H 3> S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 102.6 47.7 -66.6 -41.1 15.7 4.0 78.8 58 59 A R H <> S+ 0 0 25 -3,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.874 111.2 51.8 -64.9 -34.2 17.8 1.8 80.9 59 60 A E H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.857 107.7 52.2 -69.8 -34.5 20.8 3.6 79.4 60 61 A K H X S+ 0 0 23 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 107.1 51.6 -66.7 -48.6 19.2 7.0 80.4 61 62 A D H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.885 113.9 44.2 -56.2 -43.5 18.7 5.9 84.0 62 63 A M H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.841 110.5 54.9 -72.5 -32.7 22.4 4.9 84.2 63 64 A M H < S+ 0 0 2 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.871 111.7 44.6 -68.3 -35.9 23.5 8.0 82.4 64 65 A L H >< S+ 0 0 82 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.932 114.6 47.6 -72.0 -46.3 21.6 10.2 85.0 65 66 A W H 3< S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 107.7 57.2 -63.9 -33.6 22.9 8.1 88.0 66 67 A L T >X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.1 3,-2.3 0.609 78.1 115.4 -75.1 -12.0 26.5 8.3 86.7 67 68 A E T <4 S+ 0 0 122 -3,-1.1 -3,-0.0 -4,-0.4 7,-0.0 -0.404 87.0 13.4 -60.2 126.4 26.4 12.1 86.6 68 69 A G T 34 S+ 0 0 87 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.1 0.231 125.6 64.1 90.1 -14.4 29.0 13.3 89.2 69 70 A K T <4 S+ 0 0 78 -3,-2.3 -2,-0.2 1,-0.4 -3,-0.1 0.762 111.4 13.2-107.1 -41.2 30.5 9.8 89.4 70 71 A L S < S- 0 0 8 -4,-2.7 2,-0.9 135,-0.0 -2,-0.4 -0.954 86.2 -97.4-136.3 152.9 31.8 9.2 85.8 71 72 A P + 0 0 50 0, 0.0 134,-2.5 0, 0.0 -4,-0.1 -0.633 64.8 152.7 -72.7 105.3 32.4 11.5 82.8 72 73 A V - 0 0 29 -2,-0.9 134,-0.1 132,-0.2 -4,-0.1 -0.884 48.2 -86.1-133.6 164.9 29.3 10.9 80.8 73 74 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.299 48.8-107.0 -67.6 155.1 27.0 12.8 78.3 74 75 A K - 0 0 126 17,-0.1 16,-1.6 1,-0.0 2,-0.7 -0.662 25.9-121.7 -87.1 138.3 24.3 15.0 79.7 75 76 A V E +D 89 0A 42 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.729 36.9 168.6 -79.2 112.8 20.7 13.9 79.4 76 77 A L E - 0 0 86 12,-2.6 2,-0.3 -2,-0.7 13,-0.2 0.788 65.3 -9.2 -95.2 -32.4 18.9 16.6 77.4 77 78 A H E -D 88 0A 41 11,-1.8 11,-3.3 2,-0.0 -1,-0.4 -0.968 55.9-177.9-166.6 144.8 15.7 14.7 76.7 78 79 A F E +D 87 0A 46 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 13.9 156.1-143.6 151.9 14.2 11.2 77.1 79 80 A E E -D 86 0A 23 7,-1.6 7,-3.1 -2,-0.3 2,-0.6 -0.949 38.8-128.3-172.8 149.7 10.8 9.8 76.2 80 81 A R E +D 85 0A 164 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.947 37.0 174.7-105.0 117.9 8.9 6.6 75.4 81 82 A H E > -D 84 0A 39 3,-3.0 3,-1.8 -2,-0.6 -2,-0.0 -0.923 63.9 -25.8-133.8 113.2 7.1 7.3 72.1 82 83 A D T 3 S- 0 0 105 -2,-0.4 -35,-0.2 1,-0.3 3,-0.1 0.825 127.1 -47.1 57.0 37.3 5.1 4.5 70.2 83 84 A G T 3 S+ 0 0 38 1,-0.3 2,-0.4 -37,-0.1 -1,-0.3 0.265 115.7 119.0 91.3 -14.7 7.3 1.8 71.8 84 85 A W E < - D 0 81A 10 -3,-1.8 -3,-3.0 -38,-0.2 2,-0.6 -0.712 56.9-146.5 -87.6 133.4 10.5 3.7 70.9 85 86 A S E -CD 45 80A 4 -40,-2.7 -40,-1.6 -2,-0.4 2,-0.5 -0.914 23.4-164.0 -98.1 119.6 12.7 4.7 73.8 86 87 A N E -CD 44 79A 0 -7,-3.1 -7,-1.6 -2,-0.6 2,-0.5 -0.939 13.4-176.9-116.0 128.1 14.3 8.0 72.8 87 88 A L E -CD 43 78A 0 -44,-2.6 -44,-2.2 -2,-0.5 2,-0.5 -0.973 7.0-167.4-126.0 120.5 17.4 9.6 74.3 88 89 A L E +CD 42 77A 4 -11,-3.3 -12,-2.6 -2,-0.5 -11,-1.8 -0.919 25.2 168.9-103.8 123.9 18.8 13.0 73.3 89 90 A M E -CD 41 75A 14 -48,-3.1 -48,-2.5 -2,-0.5 -14,-0.2 -0.856 34.0-100.6-135.7 169.2 22.2 13.7 74.7 90 91 A S E -C 40 0A 11 -16,-1.6 2,-0.2 -2,-0.3 -50,-0.2 -0.449 48.8 -91.8 -84.5 159.9 25.2 16.0 74.6 91 92 A E - 0 0 87 -52,-0.9 -17,-0.1 -2,-0.1 -1,-0.1 -0.524 46.5-107.7 -73.7 136.1 28.4 15.1 72.7 92 93 A A - 0 0 17 -2,-0.2 2,-0.3 1,-0.1 112,-0.1 -0.296 35.1-112.9 -62.6 148.1 31.1 13.3 74.8 93 94 A D S S+ 0 0 88 110,-0.5 2,-0.2 103,-0.1 110,-0.2 -0.627 75.3 12.3 -85.7 140.8 34.1 15.4 75.7 94 95 A G S S- 0 0 29 -2,-0.3 2,-0.4 102,-0.1 104,-0.3 -0.559 98.2 -43.2 98.8-160.9 37.5 14.5 74.3 95 96 A V E -E 197 0B 53 102,-3.4 102,-2.9 -2,-0.2 108,-0.2 -0.919 55.3-105.8-116.6 140.4 38.6 12.1 71.5 96 97 A L E >> -E 196 0B 34 -2,-0.4 4,-2.7 100,-0.2 3,-1.9 -0.355 27.9-131.8 -60.4 133.6 37.3 8.6 70.7 97 98 A C H 3> S+ 0 0 0 98,-2.5 4,-1.6 1,-0.3 96,-0.2 0.819 106.8 59.5 -59.4 -33.8 39.9 6.1 71.8 98 99 A S H 34 S+ 0 0 37 94,-1.8 -1,-0.3 97,-0.3 5,-0.1 0.471 117.4 35.3 -73.5 -1.1 39.7 4.2 68.5 99 100 A E H X4 S+ 0 0 106 -3,-1.9 3,-1.1 93,-0.2 -2,-0.2 0.618 109.9 58.4-118.8 -33.5 40.7 7.5 66.9 100 101 A E H 3< S+ 0 0 69 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.814 125.9 25.9 -67.2 -29.2 43.1 8.9 69.5 101 102 A Y T 3< S+ 0 0 33 -4,-1.6 2,-0.7 -5,-0.3 -1,-0.3 -0.074 89.0 155.9-121.1 27.7 45.1 5.7 68.9 102 103 A E S < S- 0 0 99 -3,-1.1 3,-0.1 1,-0.3 -3,-0.1 -0.455 88.1 -31.3 -62.7 103.9 43.8 5.2 65.4 103 104 A D S S+ 0 0 154 -2,-0.7 2,-0.7 1,-0.2 -1,-0.3 0.379 104.4 141.3 63.5 -6.5 46.5 3.1 63.8 104 105 A E - 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