==== 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 4EAB . 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) . 9106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 76.7 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 . 24 11.4 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 90 0, 0.0 2,-0.8 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 19.2 41.3 8.2 1.3 2 4 A S + 0 0 125 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.823 360.0 167.3 -81.8 114.7 38.6 9.3 -1.1 3 5 A L - 0 0 37 -2,-0.8 2,-0.3 59,-0.1 30,-0.1 -0.840 39.5-111.7-124.2 157.8 35.4 8.2 0.9 4 6 A A > - 0 0 79 -2,-0.3 3,-0.5 28,-0.2 2,-0.1 -0.746 44.6-109.1 -77.8 145.1 31.7 8.8 0.8 5 7 A I T 3 S+ 0 0 129 -2,-0.3 59,-0.1 1,-0.2 58,-0.1 -0.386 86.2 32.4 -72.7 147.3 30.3 11.0 3.6 6 8 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.2 57,-0.2 24,-0.1 0.121 83.7 113.9 111.5 -15.2 28.1 9.8 6.5 7 9 A G < - 0 0 3 -3,-0.5 59,-0.6 1,-0.1 2,-0.4 0.031 66.5 -84.6 -87.5-175.1 29.2 6.2 7.2 8 10 A V E -ab 31 66A 0 22,-2.7 24,-1.9 57,-0.1 25,-1.0 -0.795 27.3-142.7-100.7 130.7 30.9 4.3 10.0 9 11 A V E -ab 33 67A 0 57,-3.0 59,-2.6 -2,-0.4 2,-0.5 -0.752 18.0-150.6 -87.8 140.6 34.6 4.1 10.6 10 12 A I E -ab 34 68A 0 23,-2.7 25,-2.5 -2,-0.4 2,-0.7 -0.944 7.0-152.1-111.3 128.2 35.8 0.6 11.9 11 13 A I E S+ab 35 69A 2 57,-2.6 59,-2.5 -2,-0.5 25,-0.2 -0.899 74.0 33.4 -92.9 119.1 38.8 0.2 14.1 12 14 A G - 0 0 2 23,-2.8 24,-0.1 -2,-0.7 23,-0.1 0.075 57.9-151.8 106.1 139.7 40.0 -3.4 13.3 13 15 A G + 0 0 15 21,-0.1 -1,-0.1 -2,-0.1 58,-0.1 0.044 57.3 105.2-133.2 30.7 40.0 -5.5 10.1 14 16 A G S > S- 0 0 40 56,-0.5 4,-1.8 30,-0.1 57,-0.0 -0.014 90.1 -68.5 -96.0-161.1 39.8 -9.1 11.4 15 17 A G H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.875 132.1 53.7 -62.7 -35.9 37.2 -11.8 11.6 16 18 A H H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 105.9 53.3 -66.5 -45.3 35.3 -9.9 14.3 17 19 A A H > S+ 0 0 0 53,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.879 103.3 57.8 -53.2 -42.4 35.2 -6.8 12.0 18 20 A K H X S+ 0 0 108 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.942 109.3 44.7 -53.6 -45.9 33.7 -9.0 9.2 19 21 A V H X S+ 0 0 59 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.928 113.9 48.8 -69.3 -40.7 30.8 -9.9 11.4 20 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.919 108.7 54.1 -62.9 -43.2 30.3 -6.3 12.7 21 23 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.939 109.4 48.0 -55.7 -45.0 30.4 -5.0 9.1 22 24 A E H X S+ 0 0 112 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.886 109.6 52.5 -71.7 -30.0 27.6 -7.3 8.1 23 25 A S H X S+ 0 0 3 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.950 111.7 47.0 -63.6 -46.1 25.5 -6.4 11.2 24 26 A L H ><>S+ 0 0 5 -4,-2.7 5,-2.1 1,-0.2 3,-1.0 0.937 113.3 47.4 -62.0 -47.7 25.8 -2.7 10.3 25 27 A R H ><5S+ 0 0 105 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.857 105.0 59.7 -64.2 -34.4 25.0 -3.3 6.7 26 28 A A H 3<5S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.766 105.5 51.2 -61.2 -22.4 22.0 -5.5 7.6 27 29 A C T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.403 124.7-104.7 -92.4 -0.6 20.7 -2.4 9.4 28 30 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.539 75.4 138.4 89.6 5.3 21.1 -0.2 6.4 29 31 A E < - 0 0 68 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.460 48.6-131.2 -81.1 158.4 24.2 1.5 7.6 30 32 A T - 0 0 93 -24,-0.1 -22,-2.7 -2,-0.1 2,-0.6 -0.929 9.9-143.1-107.9 136.3 27.2 2.3 5.4 31 33 A V E -a 8 0A 13 -2,-0.4 -22,-0.2 -24,-0.3 3,-0.1 -0.883 15.3-171.5 -99.9 122.9 30.7 1.4 6.5 32 34 A A E - 0 0 10 -24,-1.9 2,-0.3 -2,-0.6 -23,-0.2 0.889 53.4 -26.9 -84.8 -43.2 33.1 4.1 5.3 33 35 A A E -a 9 0A 0 -25,-1.0 -23,-2.7 14,-0.1 2,-0.4 -0.983 48.6-125.6-168.2 159.1 36.6 2.8 6.1 34 36 A I E -ac 10 49A 0 14,-2.7 16,-2.6 -2,-0.3 17,-0.6 -0.947 10.8-157.7-117.1 141.6 38.8 0.5 8.3 35 37 A V E +ac 11 51A 0 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.4 -0.975 22.2 176.3-110.7 131.7 41.8 1.5 10.3 36 38 A D - 0 0 30 15,-2.5 -2,-0.0 -2,-0.4 -25,-0.0 -0.995 42.7-123.7-140.2 141.1 44.1 -1.4 11.1 37 39 A A S S+ 0 0 86 -2,-0.4 15,-0.1 1,-0.2 -1,-0.1 0.716 111.9 63.7 -61.2 -21.8 47.5 -1.7 12.8 38 40 A D S S- 0 0 77 1,-0.1 -1,-0.2 13,-0.1 13,-0.1 -0.835 76.3-173.0 -94.0 96.7 48.6 -3.4 9.6 39 41 A P 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.572 360.0 360.0 -74.9 -5.6 48.1 -0.4 7.4 40 42 A T 0 0 113 -3,-0.1 9,-0.1 10,-0.0 -3,-0.0 0.766 360.0 360.0 -40.6 360.0 48.8 -2.4 4.2 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 0 109 0, 0.0 7,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-162.8 43.5 -3.8 1.2 43 45 A A E -E 48 0B 60 5,-0.3 2,-0.5 -30,-0.1 -30,-0.0 -0.987 360.0-145.4-149.2 153.8 39.8 -4.3 2.0 44 46 A V E > S-E 47 0B 10 3,-2.3 3,-2.2 -2,-0.3 -30,-0.1 -0.981 89.9 -23.7-123.5 117.1 37.7 -6.2 4.4 45 47 A L T 3 S- 0 0 68 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.866 130.3 -47.9 48.3 38.6 34.3 -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 0.442 111.5 123.3 86.4 -3.1 34.7 -4.4 0.3 47 49 A V E < -E 44 0B 2 -3,-2.2 -3,-2.3 -14,-0.1 -1,-0.3 -0.817 63.7-120.5 -94.3 126.0 35.5 -1.8 3.0 48 50 A P E -E 43 0B 54 0, 0.0 -14,-2.7 0, 0.0 2,-0.7 -0.437 8.5-135.3 -69.1 134.8 38.9 -0.1 2.3 49 51 A V E -c 34 0A 14 -7,-2.8 -14,-0.2 -16,-0.2 3,-0.1 -0.843 26.9-179.9 -81.5 113.3 41.7 -0.2 4.8 50 52 A V E - 0 0 35 -16,-2.6 2,-0.3 -2,-0.7 -15,-0.2 0.509 50.9 -61.5 -98.2 -5.8 42.8 3.5 4.8 51 53 A G E -c 35 0A 13 -17,-0.6 -15,-2.5 -13,-0.1 -1,-0.3 -0.975 62.3 -65.0 154.4-170.7 45.7 3.4 7.3 52 54 A D S > S- 0 0 50 -2,-0.3 3,-2.6 -17,-0.3 4,-0.2 -0.222 74.2 -66.0 -99.1-166.7 46.4 2.6 11.0 53 55 A D G > S+ 0 0 36 1,-0.3 3,-1.7 2,-0.2 -16,-0.1 0.714 126.0 74.8 -63.7 -14.9 45.1 4.6 14.0 54 56 A L G 3 S+ 0 0 146 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.694 86.7 65.2 -66.3 -16.6 47.2 7.6 12.9 55 57 A A G <> S+ 0 0 13 -3,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.577 75.8 91.1 -82.0 -4.7 44.5 8.1 10.2 56 58 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.930 84.1 49.1 -58.3 -47.1 41.8 8.8 12.8 57 59 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 111.0 50.6 -62.0 -34.5 42.3 12.5 12.8 58 60 A M H > S+ 0 0 72 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.912 109.8 50.8 -62.8 -44.8 42.2 12.7 9.0 59 61 A L H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -1,-0.2 0.909 111.7 47.4 -61.0 -41.1 39.0 10.7 9.0 60 62 A R H ><5S+ 0 0 93 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.928 109.1 53.6 -67.3 -42.1 37.4 13.1 11.5 61 63 A E H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.3 59.9 -62.1 -33.8 38.5 16.2 9.7 62 64 A Q T 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.410 128.1 -95.5 -82.2 6.8 36.9 14.9 6.5 63 65 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.4 1,-0.4 -3,-0.2 0.425 81.0 133.3 105.7 -0.4 33.5 14.8 8.3 64 66 A L < + 0 0 2 -5,-1.8 -1,-0.4 1,-0.1 -2,-0.1 -0.703 15.8 158.3 -86.1 134.4 33.3 11.2 9.5 65 67 A S + 0 0 42 -2,-0.4 25,-3.2 -58,-0.4 2,-0.4 0.367 42.2 85.3-139.1 -2.4 32.2 11.1 13.1 66 68 A R E +bd 8 90A 67 -59,-0.6 -57,-3.0 23,-0.2 2,-0.3 -0.904 52.6 172.8-114.2 140.2 30.7 7.7 13.8 67 69 A L E -bd 9 91A 0 23,-2.5 25,-2.2 -2,-0.4 2,-0.4 -0.990 22.4-161.2-148.0 148.3 32.9 4.7 14.8 68 70 A F E -b 10 0A 2 -59,-2.6 -57,-2.6 -2,-0.3 2,-0.9 -0.999 19.7-137.6-129.8 139.4 32.8 1.1 15.9 69 71 A V E -b 11 0A 0 -2,-0.4 2,-0.9 -59,-0.2 -57,-0.1 -0.826 19.7-176.6 -98.0 105.5 35.7 -0.7 17.6 70 72 A A + 0 0 3 -59,-2.5 -56,-0.5 -2,-0.9 2,-0.4 -0.551 36.9 124.4-102.2 64.3 35.9 -4.2 16.1 71 73 A I - 0 0 34 -2,-0.9 6,-0.1 -55,-0.1 -2,-0.1 -0.996 48.9-155.3-127.4 119.1 38.7 -5.6 18.2 72 74 A G + 0 0 36 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.841 70.0 94.8 -64.4 -36.2 38.1 -8.9 20.1 73 75 A D > - 0 0 97 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.409 70.0-149.2 -63.3 119.1 40.7 -8.3 22.8 74 76 A N H > S+ 0 0 18 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.918 89.8 43.0 -67.6 -45.6 38.8 -6.7 25.6 75 77 A R H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 116.8 48.4 -65.9 -39.7 41.4 -4.4 27.2 76 78 A L H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 110.4 51.8 -64.7 -42.4 42.6 -3.3 23.8 77 79 A R H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.893 108.9 50.7 -57.4 -45.9 39.1 -2.6 22.7 78 80 A Q H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.931 111.7 47.6 -59.4 -44.3 38.4 -0.4 25.8 79 81 A K H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.913 112.4 49.1 -64.7 -42.4 41.6 1.6 25.2 80 82 A L H X S+ 0 0 11 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.859 106.6 55.6 -68.8 -35.7 40.8 2.1 21.5 81 83 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.915 108.3 48.3 -60.5 -38.9 37.2 3.2 22.3 82 84 A R H X S+ 0 0 136 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.919 111.7 50.1 -67.3 -39.2 38.6 5.9 24.6 83 85 A K H X S+ 0 0 83 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.923 109.6 51.3 -60.1 -49.4 41.1 7.0 21.8 84 86 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 -1,-0.2 0.933 110.9 47.6 -55.5 -44.0 38.3 7.2 19.3 85 87 A R H ><5S+ 0 0 87 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.916 107.7 55.5 -67.1 -37.3 36.2 9.3 21.6 86 88 A D H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.880 104.7 55.4 -59.5 -34.5 39.1 11.6 22.3 87 89 A H T 3<5S- 0 0 77 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.384 127.2 -99.6 -82.5 6.4 39.4 12.1 18.5 88 90 A G T < 5S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.587 75.8 138.2 93.2 12.3 35.8 13.2 18.4 89 91 A F < - 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