==== 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 4EA7 . 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) . 9071.0 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 . 21 10.1 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 98 0, 0.0 2,-0.5 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 66.6 41.8 7.7 0.4 2 4 A S - 0 0 120 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.846 360.0-172.6 -94.4 136.1 38.7 9.3 -1.0 3 5 A L - 0 0 37 -2,-0.5 30,-0.1 1,-0.1 29,-0.1 -0.826 25.7-106.6-127.8 156.3 35.5 8.3 1.0 4 6 A A - 0 0 76 -2,-0.3 2,-0.4 28,-0.2 3,-0.2 -0.220 49.7 -91.4 -66.4 167.6 31.8 8.8 0.6 5 7 A I S S+ 0 0 168 1,-0.1 -1,-0.1 -2,-0.1 56,-0.1 -0.706 92.4 3.6 -79.5 131.4 30.0 11.2 3.0 6 8 A G S S+ 0 0 40 -2,-0.4 24,-0.2 1,-0.2 -1,-0.1 0.360 80.0 125.9 92.3 -0.2 28.6 9.9 6.3 7 9 A G - 0 0 4 -3,-0.2 57,-0.6 1,-0.1 2,-0.5 -0.029 61.0 -78.2 -78.5-170.1 29.2 6.3 7.1 8 10 A V E -ab 31 64A 0 22,-2.6 24,-2.0 55,-0.1 25,-0.9 -0.809 32.4-141.4 -97.6 131.3 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 -0.733 17.1-150.0 -84.8 138.0 34.5 4.1 10.6 10 12 A I E -ab 34 66A 0 23,-2.6 25,-2.4 -2,-0.3 2,-0.7 -0.957 6.3-152.6-111.2 126.7 35.7 0.7 11.8 11 13 A I E S+ab 35 67A 2 55,-2.5 57,-2.5 -2,-0.5 25,-0.2 -0.881 73.5 32.9 -91.3 118.0 38.7 0.2 14.1 12 14 A G - 0 0 2 23,-2.9 24,-0.1 -2,-0.7 23,-0.1 0.142 57.8-152.4 106.1 139.2 39.9 -3.3 13.3 13 15 A G + 0 0 19 21,-0.1 -1,-0.1 4,-0.0 56,-0.1 0.017 56.7 102.7-133.1 30.4 39.9 -5.4 10.2 14 16 A G S > S- 0 0 39 54,-0.5 4,-1.7 28,-0.1 55,-0.0 0.029 90.8 -65.1 -96.9-158.0 39.8 -9.0 11.3 15 17 A G H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.909 131.8 52.3 -64.2 -39.4 37.2 -11.7 11.5 16 18 A H H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 106.2 55.9 -61.4 -43.8 35.2 -9.8 14.2 17 19 A A H > S+ 0 0 0 51,-0.4 4,-3.0 1,-0.2 5,-0.2 0.876 101.7 56.9 -54.0 -41.8 35.2 -6.8 11.9 18 20 A K H X S+ 0 0 107 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.927 109.4 44.7 -55.6 -46.6 33.7 -8.9 9.1 19 21 A V H X S+ 0 0 59 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 114.0 49.4 -65.1 -44.4 30.7 -9.8 11.3 20 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 108.2 53.6 -60.1 -44.5 30.3 -6.3 12.5 21 23 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.922 109.9 48.1 -55.2 -47.6 30.4 -4.9 9.0 22 24 A E H X S+ 0 0 112 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.875 109.4 52.4 -66.2 -34.6 27.6 -7.3 8.0 23 25 A S H X S+ 0 0 3 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.934 111.7 46.7 -63.9 -46.0 25.5 -6.3 11.0 24 26 A L H ><>S+ 0 0 5 -4,-2.6 5,-2.4 1,-0.2 3,-0.7 0.934 113.5 47.4 -62.1 -46.4 25.8 -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 0.870 104.9 60.5 -63.9 -36.8 24.9 -3.3 6.5 26 28 A A H 3<5S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.6 50.0 -62.2 -24.8 21.9 -5.5 7.5 27 29 A C T <<5S- 0 0 61 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.406 125.0-104.5 -90.0 3.0 20.6 -2.4 9.2 28 30 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.561 74.8 140.0 81.5 12.7 21.1 -0.2 6.1 29 31 A E < - 0 0 69 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.481 47.9-131.2 -80.8 156.7 24.2 1.6 7.5 30 32 A T - 0 0 89 -24,-0.2 -22,-2.6 -2,-0.2 2,-0.6 -0.906 10.0-142.6-105.4 137.1 27.2 2.4 5.3 31 33 A V E -a 8 0A 15 -2,-0.4 -22,-0.2 -24,-0.2 3,-0.1 -0.893 15.1-170.7 -98.6 119.4 30.7 1.5 6.4 32 34 A A E - 0 0 12 -24,-2.0 2,-0.3 -2,-0.6 -23,-0.2 0.886 52.9 -31.2 -78.6 -47.0 33.1 4.2 5.4 33 35 A A E -a 9 0A 0 -25,-0.9 -23,-2.6 12,-0.1 2,-0.4 -0.971 48.5-122.3-170.1 157.8 36.6 2.8 6.1 34 36 A I E -ac 10 47A 0 12,-2.8 14,-2.5 -2,-0.3 15,-0.6 -0.941 10.7-157.7-113.4 141.0 38.8 0.6 8.3 35 37 A V E +ac 11 49A 0 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.3 -0.982 23.4 174.8-112.4 130.9 41.8 1.6 10.3 36 38 A D - 0 0 41 13,-2.4 -2,-0.0 -2,-0.4 -25,-0.0 -0.991 42.8-125.0-140.1 140.2 44.0 -1.4 11.1 37 39 A A S S+ 0 0 85 -2,-0.3 13,-0.1 1,-0.2 -1,-0.1 0.742 111.7 62.8 -60.2 -24.9 47.4 -1.8 12.7 38 40 A D 0 0 127 1,-0.1 -1,-0.2 11,-0.1 11,-0.1 -0.829 360.0 360.0 -90.8 94.1 48.5 -3.5 9.6 39 41 A P 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.663 360.0 360.0 -74.6 360.0 48.0 -0.4 7.4 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 0.000 360.0 360.0 360.0 159.2 39.9 -4.2 2.1 42 46 A V B > -E 45 0B 15 3,-2.1 3,-2.3 1,-0.1 -28,-0.1 -0.983 360.0 -26.0-131.4 112.3 37.6 -6.2 4.4 43 47 A L T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.858 130.4 -46.4 46.3 41.7 34.4 -7.3 2.7 44 48 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.458 111.1 123.1 88.1 -2.5 34.7 -4.4 0.4 45 49 A V B < -E 42 0B 2 -3,-2.3 -3,-2.1 -12,-0.0 -1,-0.3 -0.824 63.2-121.9 -93.7 127.0 35.5 -1.8 3.0 46 50 A P - 0 0 57 0, 0.0 -12,-2.8 0, 0.0 2,-0.7 -0.470 9.1-136.0 -72.1 141.4 38.9 -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 -0.846 24.7-178.6 -87.7 115.8 41.6 -0.1 4.9 48 52 A V E - 0 0 33 -14,-2.5 2,-0.3 -2,-0.7 -13,-0.2 0.533 50.8 -61.9-100.0 -8.5 42.9 3.5 4.8 49 53 A G E -c 35 0A 13 -15,-0.6 -13,-2.4 -11,-0.1 -1,-0.3 -0.957 62.9 -62.7 157.3-167.1 45.7 3.4 7.3 50 54 A D S > S- 0 0 54 -2,-0.3 3,-2.4 -15,-0.3 4,-0.2 -0.139 73.6 -67.9 -99.2-168.5 46.4 2.7 11.0 51 55 A D G > S+ 0 0 35 1,-0.3 3,-1.9 2,-0.2 -14,-0.1 0.767 125.8 74.5 -63.3 -17.7 45.1 4.6 14.0 52 56 A L G 3 S+ 0 0 145 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.681 87.3 65.5 -65.5 -15.5 47.2 7.6 13.0 53 57 A A G <> S+ 0 0 14 -3,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.576 76.0 90.1 -79.7 -7.5 44.6 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 0.889 83.2 51.0 -59.8 -46.4 41.8 8.9 12.7 55 59 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.910 110.5 50.3 -57.7 -40.2 42.4 12.6 12.8 56 60 A M H > S+ 0 0 71 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.895 109.9 50.5 -61.9 -41.2 42.2 12.8 9.0 57 61 A L H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.929 112.4 46.1 -63.8 -45.1 39.0 10.8 9.0 58 62 A R H ><5S+ 0 0 91 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.906 108.1 57.5 -64.3 -42.3 37.4 13.1 11.5 59 63 A E H 3<5S+ 0 0 170 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 102.5 55.4 -59.7 -37.9 38.6 16.2 9.6 60 64 A Q T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.363 129.0 -92.5 -84.2 10.5 36.8 15.1 6.5 61 65 A G T < 5S+ 0 0 48 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.424 79.9 135.7 106.6 -3.7 33.5 14.9 8.3 62 66 A L < + 0 0 3 -5,-1.8 -1,-0.3 1,-0.1 -54,-0.1 -0.646 13.6 157.3 -78.6 133.0 33.3 11.3 9.5 63 67 A S + 0 0 41 -2,-0.4 25,-3.1 -56,-0.4 2,-0.4 0.406 42.5 84.4-137.1 -0.2 32.1 11.2 13.1 64 68 A R E +bd 8 88A 70 -57,-0.6 -55,-2.8 23,-0.2 2,-0.3 -0.912 53.7 171.9-114.0 136.2 30.6 7.8 13.7 65 69 A L E -bd 9 89A 0 23,-2.5 25,-2.1 -2,-0.4 2,-0.4 -0.986 22.7-161.4-148.0 151.3 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 19.1-138.3-131.0 138.9 32.7 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 19.0-176.4 -98.9 102.6 35.6 -0.7 17.5 68 72 A A + 0 0 3 -57,-2.5 -54,-0.5 -2,-0.8 2,-0.4 -0.561 36.5 126.7-100.6 66.8 35.7 -4.2 16.0 69 73 A I - 0 0 33 -2,-1.0 6,-0.1 -53,-0.1 -2,-0.1 -0.996 48.3-155.2-128.3 119.5 38.5 -5.6 18.1 70 74 A G S S+ 0 0 35 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.854 70.5 92.3 -66.3 -38.2 37.9 -8.9 20.0 71 75 A D > - 0 0 97 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.415 69.7-149.8 -63.6 122.1 40.5 -8.3 22.7 72 76 A N H > S+ 0 0 17 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.910 90.1 45.8 -68.1 -46.4 38.6 -6.6 25.5 73 77 A R H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 117.0 46.2 -63.5 -42.1 41.4 -4.5 27.1 74 78 A L H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 110.8 52.8 -63.9 -44.4 42.5 -3.3 23.6 75 79 A R H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.918 109.1 50.3 -57.5 -45.4 38.9 -2.6 22.5 76 80 A Q H X S+ 0 0 45 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.927 111.4 47.1 -60.0 -43.9 38.4 -0.5 25.6 77 81 A K H X S+ 0 0 129 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.907 112.7 49.4 -66.6 -40.5 41.5 1.6 25.1 78 82 A L H X S+ 0 0 13 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.833 106.4 56.1 -70.5 -30.2 40.7 2.1 21.4 79 83 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.909 108.3 48.2 -62.4 -42.3 37.2 3.2 22.3 80 84 A R H X S+ 0 0 171 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.924 111.7 49.7 -62.3 -44.0 38.6 5.9 24.5 81 85 A K H X S+ 0 0 91 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.937 109.6 51.6 -59.4 -46.6 41.0 7.0 21.8 82 86 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 -1,-0.2 0.929 110.6 47.8 -57.7 -46.1 38.2 7.2 19.3 83 87 A R H ><5S+ 0 0 86 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.907 108.2 54.7 -64.0 -39.4 36.1 9.4 21.6 84 88 A D H 3<5S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 104.7 55.0 -59.5 -36.7 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 0.389 127.7 -99.2 -80.5 5.5 39.4 12.1 18.5 86 90 A G T < 5S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.565 76.1 137.6 95.3 10.8 35.8 13.3 18.3 87 91 A F < - 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