==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-12 4EAA . COMPND 2 MOLECULE: PEROSAMINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; . AUTHOR J.B.THODEN,L.A.REINHARDT,P.D.COOK,P.MENDEN,W.W.CLELAND,H.M.H . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 17 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 3 A A 0 0 101 0, 0.0 2,-0.7 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 14.7 41.6 8.2 1.0 2 4 A S + 0 0 124 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.788 360.0 170.8 -86.3 117.2 38.6 9.3 -1.0 3 5 A L - 0 0 36 -2,-0.7 2,-0.1 59,-0.1 30,-0.1 -0.778 35.6-108.7-122.1 163.1 35.5 8.1 1.0 4 6 A A - 0 0 74 -2,-0.3 2,-0.3 28,-0.2 3,-0.3 -0.421 45.2-103.3 -73.4 166.5 31.8 8.7 0.8 5 7 A I S S+ 0 0 128 1,-0.1 58,-0.1 -2,-0.1 59,-0.1 -0.742 88.9 26.6 -91.0 145.9 30.2 10.9 3.5 6 8 A G S S+ 0 0 45 -2,-0.3 24,-0.2 1,-0.3 -1,-0.1 0.189 82.2 122.5 112.4 -8.8 28.2 9.7 6.5 7 9 A G - 0 0 4 -3,-0.3 59,-0.6 1,-0.1 2,-0.4 -0.087 63.4 -91.7 -84.5 178.2 29.3 6.1 7.1 8 10 A V E -ab 31 66A 0 22,-2.7 24,-1.8 57,-0.1 25,-0.9 -0.755 27.6-140.2 -96.6 131.3 30.8 4.4 10.1 9 11 A V E -ab 33 67A 0 57,-2.9 59,-2.3 -2,-0.4 2,-0.5 -0.742 18.8-153.2 -83.9 135.8 34.6 4.1 10.7 10 12 A I E -ab 34 68A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.6 -0.960 7.3-149.9-112.5 127.2 35.6 0.7 12.1 11 13 A I E S+ab 35 69A 2 57,-2.5 59,-2.5 -2,-0.5 25,-0.2 -0.873 73.5 36.3 -87.0 119.1 38.7 0.2 14.2 12 14 A G - 0 0 2 23,-3.0 23,-0.1 -2,-0.6 24,-0.1 0.088 57.4-152.7 106.3 139.8 40.0 -3.4 13.5 13 15 A G + 0 0 16 21,-0.1 -1,-0.1 -2,-0.0 23,-0.1 0.067 58.4 103.2-133.6 25.3 40.0 -5.4 10.3 14 16 A G S > S- 0 0 40 56,-0.5 4,-1.8 30,-0.1 57,-0.0 0.017 91.4 -67.4 -96.9-160.1 39.8 -9.0 11.5 15 17 A G H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.891 131.7 53.9 -62.7 -38.5 37.1 -11.7 11.7 16 18 A H H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 106.4 54.1 -61.2 -44.2 35.1 -9.8 14.4 17 19 A A H > S+ 0 0 0 53,-0.4 4,-3.2 1,-0.2 5,-0.3 0.891 103.5 55.8 -53.8 -43.0 35.2 -6.8 12.0 18 20 A K H X S+ 0 0 108 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.921 109.8 44.9 -56.7 -46.1 33.7 -8.9 9.2 19 21 A V H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.922 114.5 49.0 -66.8 -40.1 30.7 -9.8 11.4 20 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.945 108.2 53.5 -63.4 -43.0 30.2 -6.3 12.6 21 23 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.931 110.4 48.0 -58.7 -43.7 30.4 -4.9 9.1 22 24 A E H X S+ 0 0 111 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.868 109.6 51.7 -69.2 -30.7 27.7 -7.3 8.1 23 25 A S H X S+ 0 0 3 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.923 111.4 47.4 -66.7 -44.8 25.5 -6.4 11.1 24 26 A L H ><>S+ 0 0 6 -4,-2.7 5,-2.1 1,-0.2 3,-0.8 0.925 113.4 48.7 -61.2 -47.7 25.8 -2.7 10.3 25 27 A R H ><5S+ 0 0 105 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.875 104.0 59.0 -60.6 -38.5 25.0 -3.4 6.6 26 28 A A H 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.7 51.2 -61.5 -23.6 22.0 -5.5 7.5 27 29 A C T <<5S- 0 0 64 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.326 124.3-104.6 -90.8 3.3 20.6 -2.4 9.3 28 30 A G T < 5S+ 0 0 65 -3,-2.0 -3,-0.2 1,-0.3 2,-0.1 0.527 76.3 137.3 85.3 4.9 21.1 -0.2 6.2 29 31 A E < - 0 0 69 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.471 48.6-132.9 -75.3 156.7 24.2 1.6 7.6 30 32 A T - 0 0 91 -24,-0.2 -22,-2.7 -2,-0.1 2,-0.6 -0.915 9.0-140.6-107.2 142.1 27.3 2.2 5.4 31 33 A V E -a 8 0A 12 -2,-0.4 -22,-0.2 -24,-0.3 3,-0.1 -0.893 15.0-168.6-101.5 121.9 30.8 1.4 6.6 32 34 A A E - 0 0 12 -24,-1.8 2,-0.3 -2,-0.6 -23,-0.2 0.898 54.0 -31.2 -78.1 -46.9 33.2 4.1 5.5 33 35 A A E -a 9 0A 0 -25,-0.9 -23,-2.6 14,-0.1 2,-0.4 -0.980 49.4-121.7-169.4 157.4 36.6 2.8 6.2 34 36 A I E -ac 10 49A 0 14,-2.7 16,-2.5 -2,-0.3 17,-0.6 -0.936 11.8-157.6-112.6 141.3 38.7 0.6 8.4 35 37 A V E +ac 11 51A 0 -25,-2.4 -23,-3.0 -2,-0.4 2,-0.4 -0.985 22.2 175.5-112.2 130.6 41.8 1.5 10.5 36 38 A D - 0 0 29 15,-2.8 -2,-0.0 -2,-0.5 -25,-0.0 -0.996 43.0-125.8-138.6 141.4 44.0 -1.4 11.3 37 39 A A S S+ 0 0 85 -2,-0.4 15,-0.1 1,-0.2 -1,-0.1 0.701 111.0 63.7 -61.8 -20.0 47.4 -1.8 13.0 38 40 A D S S- 0 0 80 13,-0.1 -1,-0.2 1,-0.1 13,-0.1 -0.871 76.1-174.3 -92.5 100.2 48.5 -3.6 9.9 39 41 A P 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.594 360.0 360.0 -81.4 -5.8 48.1 -0.6 7.5 40 42 A T 0 0 113 -3,-0.1 9,-0.1 10,-0.0 -3,-0.0 0.711 360.0 360.0 -30.6 360.0 48.8 -2.5 4.3 41 ! 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 42 44 A R 0 0 106 0, 0.0 7,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-166.8 43.6 -3.7 1.5 43 45 A A E -E 48 0B 58 5,-0.3 2,-0.4 -30,-0.1 -30,-0.0 -0.980 360.0-145.0-146.6 155.7 39.9 -4.2 2.1 44 46 A V E > S-E 47 0B 10 3,-2.2 3,-2.3 -2,-0.3 -30,-0.1 -0.984 89.4 -24.4-127.0 118.8 37.7 -6.2 4.4 45 47 A L T 3 S- 0 0 68 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.846 130.4 -47.5 43.0 42.6 34.4 -7.3 2.8 46 48 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.415 111.3 122.7 90.4 -6.6 34.8 -4.4 0.4 47 49 A V E < -E 44 0B 1 -3,-2.3 -3,-2.2 -14,-0.1 -1,-0.3 -0.814 64.0-122.0 -94.2 125.5 35.6 -1.7 3.1 48 50 A P E -E 43 0B 52 0, 0.0 -14,-2.7 0, 0.0 2,-0.7 -0.461 8.4-136.1 -70.0 138.8 38.9 -0.0 2.4 49 51 A V E -c 34 0A 14 -7,-2.9 -14,-0.2 -16,-0.2 3,-0.1 -0.854 25.6-178.3 -87.7 114.8 41.7 -0.2 5.1 50 52 A V E - 0 0 38 -16,-2.5 2,-0.3 -2,-0.7 -15,-0.2 0.500 50.4 -62.5 -96.4 -7.3 42.9 3.5 5.0 51 53 A G E -c 35 0A 12 -17,-0.6 -15,-2.8 -13,-0.1 -1,-0.2 -0.982 62.9 -60.9 157.1-170.2 45.7 3.3 7.6 52 54 A D S > S- 0 0 53 -2,-0.3 3,-2.6 -17,-0.3 4,-0.2 -0.216 73.8 -68.7 -96.2-168.2 46.4 2.6 11.2 53 55 A D G > S+ 0 0 40 1,-0.3 3,-1.7 2,-0.2 -16,-0.1 0.718 126.2 75.0 -62.2 -15.7 45.0 4.5 14.2 54 56 A L G 3 S+ 0 0 148 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.688 86.5 64.5 -68.4 -12.7 47.1 7.5 13.1 55 57 A A G <> S+ 0 0 13 -3,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.546 76.5 91.0 -82.4 -7.5 44.5 8.0 10.4 56 58 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.933 83.1 50.1 -58.4 -47.4 41.8 8.8 12.9 57 59 A P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.915 110.7 51.1 -58.9 -38.8 42.3 12.6 13.0 58 60 A M H > S+ 0 0 72 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.875 109.3 50.4 -61.9 -40.9 42.2 12.7 9.2 59 61 A L H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 -1,-0.2 0.921 111.8 47.3 -66.2 -39.7 39.0 10.7 9.1 60 62 A R H ><5S+ 0 0 93 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.908 108.3 55.8 -68.4 -39.5 37.4 13.1 11.7 61 63 A E H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 102.0 57.2 -61.0 -37.1 38.6 16.1 9.8 62 64 A Q T 3<5S- 0 0 68 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.451 127.9 -95.9 -79.6 3.1 36.8 14.9 6.7 63 65 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.4 1,-0.4 -3,-0.2 0.441 79.9 134.1 107.4 1.3 33.5 14.8 8.5 64 66 A L < + 0 0 2 -5,-1.9 -1,-0.4 1,-0.1 -56,-0.1 -0.723 15.9 158.7 -86.1 133.7 33.2 11.2 9.6 65 67 A S + 0 0 41 -2,-0.4 25,-3.3 -58,-0.3 2,-0.4 0.400 41.8 86.8-138.1 -3.5 32.2 11.1 13.2 66 68 A R E +bd 8 90A 68 -59,-0.6 -57,-2.9 23,-0.2 2,-0.3 -0.885 52.7 171.9-109.9 137.2 30.6 7.7 13.9 67 69 A L E -bd 9 91A 0 23,-2.5 25,-2.3 -2,-0.4 2,-0.4 -0.982 21.7-163.6-145.2 148.8 32.9 4.8 14.9 68 70 A F E -b 10 0A 1 -59,-2.3 -57,-2.5 -2,-0.3 2,-0.8 -0.996 19.8-137.4-131.6 140.5 32.8 1.2 16.1 69 71 A V E -b 11 0A 0 -2,-0.4 2,-0.9 -59,-0.2 -57,-0.2 -0.839 19.3-176.7 -98.4 104.5 35.6 -0.7 17.7 70 72 A A + 0 0 3 -59,-2.5 -56,-0.5 -2,-0.8 2,-0.4 -0.557 37.8 123.9-100.6 66.8 35.7 -4.2 16.2 71 73 A I - 0 0 34 -2,-0.9 6,-0.1 -55,-0.1 -2,-0.1 -0.996 49.2-155.4-130.8 122.9 38.5 -5.7 18.3 72 74 A G + 0 0 32 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 0.847 69.0 96.4 -71.9 -38.0 37.8 -8.8 20.2 73 75 A D > - 0 0 99 1,-0.1 4,-2.7 2,-0.1 5,-0.2 -0.398 69.1-149.5 -51.0 118.8 40.5 -8.3 22.9 74 76 A N H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 90.1 43.5 -69.9 -47.0 38.6 -6.7 25.7 75 77 A R H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 117.4 47.0 -65.8 -36.2 41.3 -4.5 27.3 76 78 A L H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.913 111.1 52.2 -68.3 -45.7 42.5 -3.3 23.8 77 79 A R H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.899 108.9 49.9 -54.8 -43.5 38.9 -2.6 22.7 78 80 A Q H X S+ 0 0 31 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.924 112.0 47.8 -65.7 -39.7 38.3 -0.5 25.8 79 81 A K H X S+ 0 0 100 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 112.5 48.1 -65.5 -41.4 41.5 1.5 25.2 80 82 A L H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.858 107.2 57.1 -72.3 -32.8 40.7 2.1 21.6 81 83 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.925 108.8 46.1 -57.0 -45.8 37.1 3.1 22.5 82 84 A R H X S+ 0 0 135 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.922 111.8 51.6 -65.8 -39.2 38.6 5.9 24.7 83 85 A K H X S+ 0 0 81 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.928 109.3 50.7 -61.3 -46.5 41.0 6.9 22.0 84 86 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 -1,-0.2 0.916 110.9 47.9 -59.4 -41.6 38.2 7.2 19.5 85 87 A R H ><5S+ 0 0 87 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.902 107.3 55.6 -68.5 -35.1 36.1 9.3 21.8 86 88 A D H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 104.6 55.9 -63.9 -31.1 39.1 11.6 22.5 87 89 A H T 3<5S- 0 0 75 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.377 127.0 -98.3 -83.1 6.5 39.4 12.1 18.7 88 90 A G T < 5S+ 0 0 40 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.507 77.1 136.9 94.1 10.6 35.8 13.3 18.5 89 91 A F < - 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