==== 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 4EA9 . 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) . 9092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 75.4 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 . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.6 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 80 0, 0.0 2,-0.8 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 8.6 -41.2 8.2 -1.6 2 4 A S + 0 0 125 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.831 360.0 167.9 -84.3 122.2 -38.6 9.3 1.0 3 5 A L - 0 0 34 -2,-0.8 30,-0.1 1,-0.1 29,-0.1 -0.838 37.4-104.2-130.8 157.8 -35.5 8.3 -0.9 4 6 A A - 0 0 72 -2,-0.3 2,-0.4 28,-0.2 3,-0.2 -0.189 48.2 -91.4 -65.2 170.0 -31.8 8.8 -0.7 5 7 A I S S+ 0 0 177 1,-0.1 -1,-0.1 57,-0.0 56,-0.1 -0.738 93.7 5.7 -76.8 131.4 -30.0 11.3 -3.0 6 8 A G S S+ 0 0 42 -2,-0.4 24,-0.2 1,-0.2 -1,-0.1 0.480 77.9 124.5 95.4 -2.3 -28.6 9.8 -6.3 7 9 A G - 0 0 3 -3,-0.2 57,-0.6 24,-0.1 2,-0.5 -0.151 61.2 -79.8 -82.9-165.6 -29.2 6.3 -7.1 8 10 A V E -ab 31 64A 0 22,-2.5 24,-2.0 55,-0.1 25,-0.9 -0.803 32.4-142.1 -96.8 130.2 -30.8 4.4 -10.0 9 11 A V E -ab 33 65A 0 55,-2.8 57,-2.5 -2,-0.5 2,-0.5 -0.749 17.7-150.5 -84.0 137.5 -34.5 4.2 -10.6 10 12 A I E -ab 34 66A 0 23,-2.7 25,-2.4 -2,-0.4 2,-0.6 -0.957 7.4-150.1-114.1 128.7 -35.7 0.8 -11.9 11 13 A I E S+ab 35 67A 2 55,-2.5 57,-2.4 -2,-0.5 25,-0.2 -0.866 74.5 33.1 -88.8 117.2 -38.8 0.2 -14.1 12 14 A G - 0 0 2 23,-2.9 24,-0.1 -2,-0.6 56,-0.1 0.179 57.6-152.7 105.6 138.6 -40.0 -3.3 -13.3 13 15 A G + 0 0 18 21,-0.1 -1,-0.1 4,-0.1 23,-0.1 -0.025 57.7 100.0-131.7 30.4 -39.9 -5.3 -10.1 14 16 A G S > S- 0 0 40 54,-0.5 4,-1.7 28,-0.1 55,-0.0 0.024 92.1 -61.9-101.4-156.8 -39.9 -8.9 -11.2 15 17 A G H > S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.883 131.5 52.6 -63.8 -39.3 -37.3 -11.6 -11.5 16 18 A H H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 106.2 55.2 -61.1 -42.2 -35.3 -9.7 -14.2 17 19 A A H > S+ 0 0 0 51,-0.4 4,-3.0 1,-0.2 5,-0.2 0.876 101.4 58.2 -57.6 -39.1 -35.2 -6.7 -11.8 18 20 A K H X S+ 0 0 107 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.929 109.3 43.9 -56.3 -47.4 -33.7 -8.9 -9.1 19 21 A V H X S+ 0 0 59 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.919 114.1 49.7 -65.7 -44.5 -30.7 -9.8 -11.3 20 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.924 107.9 53.7 -59.1 -44.8 -30.3 -6.2 -12.6 21 23 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.917 109.6 48.8 -55.5 -46.0 -30.3 -4.9 -9.0 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 51.9 -67.0 -35.7 -27.5 -7.3 -8.1 23 25 A S H X S+ 0 0 2 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.936 112.2 46.4 -62.0 -47.9 -25.5 -6.3 -11.2 24 26 A L H ><>S+ 0 0 5 -4,-2.5 5,-2.3 1,-0.2 3,-0.7 0.930 113.5 47.8 -59.6 -47.8 -25.7 -2.7 -10.2 25 27 A R H ><5S+ 0 0 105 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.885 105.2 59.4 -64.5 -35.6 -24.9 -3.3 -6.6 26 28 A A H 3<5S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.9 50.5 -63.3 -26.3 -21.9 -5.5 -7.6 27 29 A C T <<5S- 0 0 64 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.369 125.2-103.4 -87.3 1.7 -20.6 -2.4 -9.4 28 30 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.591 75.8 139.1 86.9 5.4 -21.0 -0.2 -6.3 29 31 A E < - 0 0 71 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.502 47.6-132.2 -80.1 158.3 -24.1 1.6 -7.6 30 32 A T - 0 0 86 -24,-0.2 -22,-2.5 -2,-0.2 2,-0.6 -0.922 9.6-141.9-108.9 136.5 -27.1 2.3 -5.4 31 33 A V E -a 8 0A 15 -2,-0.4 -22,-0.2 -24,-0.3 3,-0.1 -0.894 15.2-170.6 -99.6 118.7 -30.7 1.5 -6.5 32 34 A A E - 0 0 12 -24,-2.0 2,-0.3 -2,-0.6 -23,-0.2 0.889 53.4 -32.3 -76.8 -46.9 -33.0 4.2 -5.4 33 35 A A E -a 9 0A 0 -25,-0.9 -23,-2.7 12,-0.1 2,-0.4 -0.972 48.6-122.5-172.3 157.1 -36.5 2.9 -6.0 34 36 A I E -ac 10 47A 0 12,-2.6 14,-2.6 -2,-0.3 15,-0.6 -0.946 9.9-157.0-114.8 141.8 -38.7 0.7 -8.3 35 37 A V E +ac 11 49A 0 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.3 -0.975 23.1 175.6-112.1 132.5 -41.8 1.6 -10.2 36 38 A D - 0 0 39 13,-2.5 -2,-0.0 -2,-0.4 -25,-0.0 -0.995 42.6-124.5-140.0 141.7 -44.0 -1.4 -11.0 37 39 A A S S+ 0 0 85 -2,-0.3 13,-0.1 1,-0.2 -1,-0.1 0.680 112.3 61.6 -61.7 -25.8 -47.4 -1.8 -12.6 38 40 A D 0 0 125 1,-0.1 -1,-0.2 11,-0.1 11,-0.1 -0.899 360.0 360.0 -89.6 103.5 -48.5 -3.5 -9.5 39 41 A P 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.730 360.0 360.0 -86.5 360.0 -47.9 -0.4 -7.2 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,-0.4 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 155.0 -39.8 -4.2 -2.1 42 46 A V B > -E 45 0B 14 3,-2.0 3,-2.4 1,-0.1 -28,-0.1 -0.974 360.0 -26.6-130.1 111.6 -37.6 -6.2 -4.4 43 47 A L T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.861 130.2 -46.9 46.8 40.4 -34.3 -7.3 -2.8 44 48 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.458 111.1 122.4 86.6 -3.5 -34.6 -4.4 -0.4 45 49 A V B < -E 42 0B 2 -3,-2.4 -3,-2.0 -12,-0.0 -1,-0.3 -0.812 63.5-121.3 -91.9 127.0 -35.4 -1.8 -3.0 46 50 A P - 0 0 58 0, 0.0 -12,-2.6 0, 0.0 2,-0.6 -0.462 8.4-136.0 -72.1 141.7 -38.8 -0.0 -2.3 47 51 A V E -c 34 0A 42 -14,-0.2 -12,-0.2 -2,-0.2 3,-0.1 -0.839 24.9-179.5 -88.5 114.9 -41.6 -0.1 -4.8 48 52 A V E - 0 0 33 -14,-2.6 2,-0.3 -2,-0.6 -13,-0.2 0.549 51.4 -59.9-102.6 -8.4 -42.8 3.5 -4.7 49 53 A G E -c 35 0A 13 -15,-0.6 -13,-2.5 -11,-0.1 -1,-0.3 -0.958 62.8 -64.2 157.9-166.7 -45.6 3.4 -7.3 50 54 A D S > S- 0 0 55 -2,-0.3 3,-2.5 -15,-0.3 4,-0.2 -0.168 73.2 -67.5-100.0-168.9 -46.4 2.7 -10.9 51 55 A D G > S+ 0 0 35 1,-0.3 3,-1.9 2,-0.2 -14,-0.1 0.759 125.7 73.9 -64.3 -17.9 -45.1 4.5 -13.9 52 56 A L G 3 S+ 0 0 148 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.690 87.4 66.0 -65.8 -14.7 -47.2 7.6 -12.9 53 57 A A G <> S+ 0 0 13 -3,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.565 75.7 89.9 -78.3 -9.0 -44.5 8.1 -10.2 54 58 A L H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.903 82.9 51.3 -59.5 -45.6 -41.8 8.8 -12.7 55 59 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.903 110.5 49.9 -57.6 -40.7 -42.3 12.6 -12.8 56 60 A M H > S+ 0 0 68 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.884 109.4 51.2 -63.4 -40.9 -42.2 12.8 -9.1 57 61 A L H <>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 -1,-0.2 0.911 111.9 47.3 -62.9 -42.5 -38.9 10.8 -9.0 58 62 A R H ><5S+ 0 0 92 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.896 107.7 55.8 -64.9 -40.0 -37.4 13.1 -11.6 59 63 A E H 3<5S+ 0 0 167 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 102.3 57.1 -63.1 -33.9 -38.5 16.2 -9.7 60 64 A Q T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.331 128.5 -93.7 -85.4 10.4 -36.8 15.1 -6.6 61 65 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.4 1,-0.4 -3,-0.2 0.381 80.3 134.5 105.7 -4.5 -33.5 14.9 -8.4 62 66 A L < + 0 0 3 -5,-2.0 -1,-0.4 1,-0.1 -54,-0.1 -0.651 14.6 157.3 -79.9 133.1 -33.3 11.3 -9.5 63 67 A S + 0 0 42 -56,-0.4 25,-3.1 -2,-0.4 2,-0.4 0.406 42.1 85.5-137.0 -0.1 -32.2 11.2 -13.1 64 68 A R E +bd 8 88A 71 -57,-0.6 -55,-2.8 23,-0.2 2,-0.3 -0.912 53.7 172.1-111.5 135.6 -30.6 7.7 -13.8 65 69 A L E -bd 9 89A 0 23,-2.6 25,-2.2 -2,-0.4 2,-0.4 -0.984 23.0-161.1-146.8 152.3 -32.8 4.8 -14.7 66 70 A F E -b 10 0A 2 -57,-2.5 -55,-2.5 -2,-0.3 2,-0.8 -0.998 19.3-138.0-131.6 139.4 -32.8 1.2 -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 19.1-175.9 -98.4 103.3 -35.7 -0.7 -17.5 68 72 A A + 0 0 3 -57,-2.4 -54,-0.5 -2,-0.8 2,-0.4 -0.567 37.4 125.1 -99.6 67.3 -35.7 -4.1 -16.0 69 73 A I - 0 0 34 -2,-1.0 6,-0.1 -53,-0.1 -2,-0.1 -0.996 48.3-156.5-129.3 119.9 -38.5 -5.6 -18.1 70 74 A G + 0 0 34 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.848 69.4 94.1 -69.2 -36.1 -37.8 -8.8 -20.0 71 75 A D > - 0 0 98 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.420 69.9-149.1 -61.0 121.3 -40.5 -8.3 -22.7 72 76 A N H > S+ 0 0 14 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.906 89.9 45.6 -66.1 -47.2 -38.6 -6.7 -25.5 73 77 A R H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 116.7 46.0 -63.4 -42.7 -41.4 -4.6 -27.0 74 78 A L H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 110.7 53.0 -66.1 -43.0 -42.5 -3.3 -23.7 75 79 A R H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.928 108.9 50.5 -56.6 -44.7 -39.0 -2.6 -22.5 76 80 A Q H X S+ 0 0 44 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.925 111.0 47.4 -61.2 -44.1 -38.4 -0.5 -25.6 77 81 A K H X S+ 0 0 132 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.905 112.5 49.6 -63.6 -42.0 -41.6 1.5 -25.1 78 82 A L H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.843 106.2 56.2 -69.5 -30.5 -40.7 2.1 -21.4 79 83 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.912 107.8 48.6 -63.9 -39.8 -37.2 3.2 -22.2 80 84 A R H X S+ 0 0 180 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.922 111.7 49.6 -62.4 -43.8 -38.7 5.8 -24.5 81 85 A K H X S+ 0 0 89 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 109.8 51.0 -61.4 -43.9 -41.1 6.9 -21.8 82 86 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 -1,-0.2 0.929 111.1 48.1 -60.1 -44.9 -38.2 7.2 -19.3 83 87 A R H ><5S+ 0 0 84 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.909 107.9 54.4 -64.9 -37.6 -36.2 9.3 -21.6 84 88 A D H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 104.8 56.0 -62.2 -35.4 -39.1 11.6 -22.3 85 89 A H T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.369 127.7 -99.2 -77.8 4.2 -39.4 12.1 -18.5 86 90 A G T < 5S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.577 76.7 137.4 96.3 8.2 -35.8 13.2 -18.4 87 91 A F < - 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