==== 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 4EA8 . 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 . 207 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.4 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 . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 12.1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 90 0, 0.0 2,-0.7 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 11.7 8.1 -41.7 1.2 2 4 A S + 0 0 124 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.765 360.0 169.2 -89.4 132.9 9.3 -38.9 -0.9 3 5 A L - 0 0 39 -2,-0.7 2,-0.1 1,-0.1 30,-0.1 -0.847 34.0-100.6-135.2 164.5 8.3 -35.7 0.8 4 6 A A - 0 0 73 -2,-0.3 2,-0.6 28,-0.2 3,-0.2 -0.177 46.9 -92.1 -73.6 168.3 8.9 -31.9 0.7 5 7 A I S S+ 0 0 174 1,-0.2 -1,-0.1 -2,-0.1 56,-0.1 -0.807 93.1 7.0 -84.0 122.7 11.3 -30.0 3.0 6 8 A G S S+ 0 0 45 -2,-0.6 24,-0.2 1,-0.2 -1,-0.2 0.294 79.9 124.7 111.2 -9.0 9.8 -28.6 6.3 7 9 A G - 0 0 5 -3,-0.2 57,-0.6 1,-0.1 2,-0.5 -0.004 58.8 -82.2 -84.0-166.7 6.4 -29.5 7.2 8 10 A V E -ab 31 64A 0 22,-2.5 24,-2.1 55,-0.1 25,-0.9 -0.816 30.4-144.5 -99.0 132.2 4.4 -31.0 10.1 9 11 A V E -ab 33 65A 0 55,-2.8 57,-2.5 -2,-0.5 2,-0.5 -0.759 16.9-152.3 -87.2 136.5 4.1 -34.7 10.6 10 12 A I E -ab 34 66A 0 23,-2.6 25,-2.4 -2,-0.4 2,-0.7 -0.958 8.4-148.9-116.2 132.3 0.7 -35.9 12.0 11 13 A I E S+ab 35 67A 3 55,-2.5 57,-2.5 -2,-0.5 25,-0.2 -0.876 74.3 34.1 -89.5 118.5 0.2 -39.0 14.1 12 14 A G - 0 0 3 23,-2.8 24,-0.1 -2,-0.7 56,-0.1 0.163 56.6-153.3 105.8 138.3 -3.4 -40.2 13.3 13 15 A G + 0 0 18 21,-0.1 -1,-0.1 4,-0.0 56,-0.1 -0.011 57.2 103.2-132.3 26.9 -5.4 -40.1 10.1 14 16 A G S > S- 0 0 39 54,-0.4 4,-1.7 28,-0.1 55,-0.0 0.030 90.7 -66.0 -95.5-162.2 -9.0 -40.1 11.3 15 17 A G H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.898 131.5 53.0 -59.1 -41.4 -11.8 -37.5 11.6 16 18 A H H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 106.2 55.1 -62.1 -41.7 -9.9 -35.5 14.2 17 19 A A H > S+ 0 0 0 51,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.872 101.7 57.5 -55.9 -41.4 -6.9 -35.4 12.0 18 20 A K H X S+ 0 0 107 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.930 109.2 44.8 -55.6 -46.4 -9.0 -33.9 9.2 19 21 A V H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 113.9 49.6 -65.9 -44.3 -9.9 -30.9 11.4 20 22 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 107.9 53.9 -59.6 -44.2 -6.4 -30.5 12.7 21 23 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.921 109.0 49.3 -55.7 -47.0 -5.0 -30.5 9.1 22 24 A E H X S+ 0 0 112 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.867 109.3 51.3 -65.5 -35.8 -7.4 -27.7 8.2 23 25 A S H X S+ 0 0 2 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.933 112.0 47.5 -63.1 -46.4 -6.4 -25.6 11.3 24 26 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 3,-0.6 0.934 113.2 47.0 -60.3 -47.2 -2.7 -26.0 10.4 25 27 A R H ><5S+ 0 0 107 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.872 105.3 59.7 -63.9 -37.1 -3.3 -25.1 6.7 26 28 A A H 3<5S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.5 51.2 -61.2 -26.4 -5.5 -22.1 7.7 27 29 A C T <<5S- 0 0 69 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.417 125.2-103.3 -85.8 -1.9 -2.4 -20.8 9.6 28 30 A G T < 5S+ 0 0 68 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.575 74.8 140.6 89.0 6.1 -0.2 -21.2 6.5 29 31 A E < - 0 0 56 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.513 47.6-131.6 -80.1 156.3 1.5 -24.4 7.7 30 32 A T - 0 0 92 -24,-0.2 -22,-2.5 -2,-0.2 2,-0.6 -0.906 10.7-144.1-104.6 133.2 2.4 -27.3 5.4 31 33 A V E -a 8 0A 14 -2,-0.4 -22,-0.2 -24,-0.2 3,-0.1 -0.883 15.6-172.5 -96.8 116.7 1.4 -30.8 6.5 32 34 A A E - 0 0 12 -24,-2.1 2,-0.3 -2,-0.6 -23,-0.2 0.892 52.8 -29.3 -80.1 -43.8 4.1 -33.2 5.3 33 35 A A E -a 9 0A 0 -25,-0.9 -23,-2.6 12,-0.1 2,-0.4 -0.973 48.5-123.9-170.1 158.0 2.8 -36.7 6.1 34 36 A I E -ac 10 47A 0 12,-2.7 14,-2.6 -2,-0.3 15,-0.6 -0.944 9.8-156.8-114.5 140.6 0.6 -38.9 8.3 35 37 A V E +ac 11 49A 0 -25,-2.4 -23,-2.8 -2,-0.4 2,-0.3 -0.978 24.2 174.6-111.0 132.7 1.6 -42.0 10.3 36 38 A D - 0 0 40 13,-2.5 -2,-0.0 -2,-0.4 13,-0.0 -0.993 42.8-124.8-141.3 143.3 -1.4 -44.3 11.0 37 39 A A S S+ 0 0 87 -2,-0.3 13,-0.1 1,-0.2 -1,-0.1 0.712 113.2 61.1 -66.7 -22.4 -1.9 -47.7 12.6 38 40 A D 0 0 131 11,-0.1 -1,-0.2 1,-0.1 11,-0.1 -0.844 360.0 360.0 -89.1 94.6 -3.6 -48.7 9.4 39 41 A P 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.340 360.0 360.0 -78.9 360.0 -0.4 -48.0 7.3 40 ! 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 41 45 A A 0 0 100 0, 0.0 2,-0.5 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 152.0 -4.3 -40.0 2.0 42 46 A V B > -E 45 0B 17 3,-2.2 3,-2.3 1,-0.1 -28,-0.1 -0.990 360.0 -26.1-126.1 111.8 -6.2 -37.8 4.3 43 47 A L T 3 S- 0 0 71 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.866 130.1 -46.5 47.4 41.4 -7.4 -34.4 2.8 44 48 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.470 111.8 122.6 86.2 -3.5 -4.5 -34.8 0.3 45 49 A V B < -E 42 0B 2 -3,-2.3 -3,-2.2 -12,-0.0 -1,-0.3 -0.825 63.3-121.4 -91.8 128.7 -1.8 -35.6 3.0 46 50 A P - 0 0 58 0, 0.0 -12,-2.7 0, 0.0 2,-0.6 -0.458 8.8-137.1 -71.3 140.0 -0.0 -39.0 2.3 47 51 A V E -c 34 0A 43 -14,-0.2 -12,-0.2 -2,-0.2 3,-0.1 -0.845 24.9-179.1 -88.8 117.8 -0.1 -41.8 4.8 48 52 A V E - 0 0 32 -14,-2.6 2,-0.3 -2,-0.6 -13,-0.2 0.519 50.6 -60.1-103.5 -6.8 3.5 -43.0 4.7 49 53 A G E -c 35 0A 12 -15,-0.6 -13,-2.5 -11,-0.1 -1,-0.3 -0.947 63.5 -64.3 158.0-166.5 3.4 -45.9 7.3 50 54 A D S > S- 0 0 56 -2,-0.3 3,-2.3 -15,-0.3 4,-0.2 -0.140 73.1 -67.3 -98.6-167.0 2.6 -46.6 10.9 51 55 A D G > S+ 0 0 43 1,-0.3 3,-1.9 2,-0.2 -14,-0.1 0.743 125.8 73.8 -65.7 -19.1 4.5 -45.3 13.9 52 56 A L G 3 S+ 0 0 148 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.706 87.2 65.6 -62.2 -16.3 7.6 -47.4 12.9 53 57 A A G <> S+ 0 0 12 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.563 75.8 90.7 -81.2 -5.9 8.1 -44.8 10.2 54 58 A L H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.910 84.1 49.6 -61.9 -44.5 8.8 -42.0 12.7 55 59 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.907 111.0 51.3 -57.6 -41.1 12.7 -42.6 12.8 56 60 A M H > S+ 0 0 73 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.897 109.7 49.0 -58.6 -45.5 12.7 -42.5 9.0 57 61 A L H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 -1,-0.2 0.901 111.9 48.9 -62.9 -44.6 10.8 -39.2 9.0 58 62 A R H ><5S+ 0 0 90 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.892 107.9 54.1 -63.6 -44.6 13.2 -37.7 11.5 59 63 A E H 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 102.9 58.0 -59.8 -33.9 16.3 -38.8 9.6 60 64 A Q T 3<5S- 0 0 78 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.418 128.4 -94.7 -83.5 8.6 15.0 -37.0 6.5 61 65 A G T < 5S+ 0 0 47 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.400 80.0 135.0 104.6 -4.6 14.8 -33.8 8.3 62 66 A L < + 0 0 4 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.634 14.3 157.7 -80.3 133.1 11.3 -33.5 9.5 63 67 A S + 0 0 43 -56,-0.4 25,-3.0 -2,-0.3 2,-0.4 0.385 42.8 84.3-138.1 -0.2 11.2 -32.4 13.1 64 68 A R E +bd 8 88A 73 -57,-0.6 -55,-2.8 23,-0.2 2,-0.3 -0.912 53.5 172.9-114.8 134.7 7.8 -30.9 13.8 65 69 A L E -bd 9 89A 0 23,-2.5 25,-2.2 -2,-0.4 2,-0.4 -0.984 22.8-160.7-146.0 151.8 4.8 -33.1 14.8 66 70 A F E -b 10 0A 2 -57,-2.5 -55,-2.5 -2,-0.3 2,-0.8 -0.998 19.2-138.6-130.0 138.1 1.1 -33.0 15.9 67 71 A V E -b 11 0A 0 -2,-0.4 2,-1.0 -57,-0.2 -55,-0.2 -0.849 19.3-176.2 -98.9 103.1 -0.7 -35.9 17.6 68 72 A A + 0 0 4 -57,-2.5 -54,-0.4 -2,-0.8 2,-0.4 -0.584 36.2 126.8-100.3 66.4 -4.2 -36.0 16.1 69 73 A I - 0 0 34 -2,-1.0 6,-0.1 -53,-0.1 -2,-0.1 -0.997 48.5-154.7-126.5 121.9 -5.7 -38.8 18.2 70 74 A G S S+ 0 0 35 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.846 70.6 91.5 -67.7 -38.5 -8.9 -38.2 20.0 71 75 A D S > S- 0 0 100 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.447 70.2-148.7 -64.5 123.3 -8.4 -40.8 22.8 72 76 A N H > S+ 0 0 16 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 90.3 46.0 -68.9 -45.5 -6.7 -38.9 25.6 73 77 A R H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 116.7 45.8 -63.4 -44.7 -4.6 -41.6 27.2 74 78 A L H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 110.8 53.0 -63.5 -43.3 -3.3 -42.8 23.8 75 79 A R H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.925 108.7 50.7 -56.1 -45.4 -2.6 -39.2 22.6 76 80 A Q H X S+ 0 0 43 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.927 111.2 47.5 -61.3 -43.0 -0.6 -38.6 25.7 77 81 A K H X S+ 0 0 133 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.901 111.9 49.8 -66.8 -39.8 1.5 -41.8 25.1 78 82 A L H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.829 106.4 56.5 -71.4 -30.4 2.1 -41.0 21.5 79 83 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.912 107.7 47.8 -60.6 -43.9 3.2 -37.5 22.4 80 84 A R H X S+ 0 0 189 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.921 111.9 50.4 -62.5 -42.6 5.9 -38.9 24.6 81 85 A K H X S+ 0 0 86 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.930 109.4 50.9 -61.2 -46.3 7.0 -41.3 21.9 82 86 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -1,-0.2 0.929 111.1 48.0 -58.3 -45.2 7.2 -38.5 19.3 83 87 A R H ><5S+ 0 0 84 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.912 107.9 54.5 -63.5 -38.7 9.3 -36.4 21.7 84 88 A D H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 105.1 55.5 -61.1 -36.5 11.6 -39.4 22.4 85 89 A H T 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.376 127.6 -98.9 -79.1 2.9 12.1 -39.7 18.6 86 90 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.564 76.7 137.8 95.1 10.2 13.3 -36.0 18.4 87 91 A F < - 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