==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-12 4E79 . COMPND 2 MOLECULE: UDP-3-O-ACYLGLUCOSAMINE N-ACYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR J.BADGER,B.CHIE-LEON,C.LOGAN,V.SRIDHAR,B.SANKARAN,P.H.ZWART, . 1044 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 292 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.3 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 . 2 0.2 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 . 108 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 1 4 1 3 0 2 0 0 2 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 76 10 3 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 6 3 3 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 . 6 0 0 3 0 0 0 0 6 0 3 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 5 A V 0 0 145 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 146.2 1.4 -1.4 53.0 2 6 A Q - 0 0 125 24,-0.1 2,-0.2 90,-0.0 23,-0.0 -0.743 360.0-140.0 -90.8 140.1 -1.1 -4.1 54.0 3 7 A Q - 0 0 91 -2,-0.4 2,-0.4 21,-0.0 23,-0.2 -0.461 9.4-156.7 -91.9 158.2 -0.5 -6.1 57.2 4 8 A Y E -A 25 0A 46 21,-1.4 21,-2.1 -2,-0.2 2,-0.1 -0.999 25.2-112.5-136.2 138.5 -0.9 -9.7 58.1 5 9 A R E >> -A 24 0A 100 -2,-0.4 4,-2.0 19,-0.2 3,-0.7 -0.443 29.0-123.0 -61.9 137.5 -1.5 -11.4 61.5 6 10 A L H 3> S+ 0 0 0 17,-2.8 4,-2.1 14,-0.3 16,-0.2 0.820 111.9 57.3 -53.4 -35.5 1.5 -13.6 62.5 7 11 A D H 3> S+ 0 0 54 14,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.890 104.7 50.6 -66.1 -37.5 -0.7 -16.6 62.7 8 12 A E H <> S+ 0 0 85 -3,-0.7 4,-2.7 13,-0.4 -2,-0.2 0.954 111.1 49.6 -58.6 -51.2 -1.9 -16.2 59.1 9 13 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.854 111.0 48.2 -58.9 -39.8 1.8 -16.0 58.0 10 14 A A H <>S+ 0 0 3 -4,-2.1 5,-3.3 2,-0.2 3,-0.3 0.886 112.1 50.2 -67.9 -40.4 2.7 -19.1 60.0 11 15 A H H ><5S+ 0 0 153 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.909 103.4 58.6 -62.9 -47.6 -0.3 -21.0 58.5 12 16 A L H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 114.0 38.9 -51.9 -33.0 0.6 -20.0 54.9 13 17 A V T 3<5S- 0 0 17 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.290 111.6-120.1-101.3 10.0 4.0 -21.7 55.4 14 18 A K T < 5 + 0 0 93 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.909 65.8 146.5 50.0 47.0 2.6 -24.7 57.4 15 19 A G < - 0 0 23 -5,-3.3 2,-0.4 -6,-0.1 63,-0.2 -0.525 54.6 -98.4-106.2 173.6 4.9 -23.6 60.3 16 20 A E E -B 77 0B 51 61,-2.7 61,-3.1 -2,-0.2 2,-0.4 -0.801 34.7-139.9 -92.9 135.1 4.7 -23.7 64.1 17 21 A L E +B 76 0B 69 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.811 20.7 177.9 -96.8 130.0 3.8 -20.4 65.8 18 22 A I E +B 75 0B 75 57,-2.2 57,-2.9 -2,-0.4 2,-0.2 -0.985 55.8 21.0-128.7 122.3 5.5 -19.2 69.0 19 23 A G S S- 0 0 41 -2,-0.4 2,-0.8 55,-0.2 55,-0.1 -0.638 111.4 -24.0 116.7-174.3 4.3 -15.9 70.4 20 24 A E > - 0 0 108 -2,-0.2 3,-1.7 1,-0.2 -14,-0.3 -0.609 51.4-162.0 -78.6 108.6 1.2 -13.7 70.0 21 25 A G T 3 S+ 0 0 5 -2,-0.8 -14,-2.6 1,-0.3 -13,-0.4 0.553 82.9 66.8 -68.2 -10.7 -0.4 -14.7 66.7 22 26 A S T 3 S+ 0 0 48 -16,-0.2 2,-0.3 -17,-0.2 -1,-0.3 0.418 71.5 112.9 -90.2 -1.3 -2.5 -11.5 66.5 23 27 A L < - 0 0 74 -3,-1.7 -17,-2.8 -18,-0.1 2,-0.3 -0.603 63.3-138.8 -68.3 131.5 0.6 -9.3 66.1 24 28 A Q E -A 5 0A 103 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.685 12.6-154.7 -97.4 147.5 0.5 -7.8 62.6 25 29 A F E -A 4 0A 5 -21,-2.1 -21,-1.4 -2,-0.3 13,-0.2 -0.943 12.8-162.3-126.1 147.0 3.4 -7.3 60.2 26 30 A S - 0 0 9 11,-2.4 2,-0.3 -2,-0.4 12,-0.2 0.512 68.7 -19.8-100.9 -11.1 4.0 -4.9 57.3 27 31 A N E -c 38 0B 51 10,-0.7 12,-1.7 -23,-0.1 -1,-0.2 -0.962 62.2 -96.3 179.5 159.6 6.8 -6.5 55.3 28 32 A L E +c 39 0B 5 -2,-0.3 2,-0.3 10,-0.2 12,-0.2 -0.594 47.4 173.1 -84.5 163.6 9.6 -9.0 55.3 29 33 A A - 0 0 11 10,-1.5 12,-0.3 -2,-0.2 5,-0.1 -0.977 30.8 -88.1-169.5 160.2 13.1 -7.5 55.9 30 34 A S > - 0 0 14 -2,-0.3 4,-2.3 10,-0.1 26,-0.1 -0.289 37.2-112.1 -75.0 156.5 16.8 -8.4 56.5 31 35 A L T 4 S+ 0 0 13 10,-0.2 24,-0.4 1,-0.2 25,-0.2 0.863 117.6 50.6 -47.2 -43.7 18.4 -9.1 59.8 32 36 A E T 4 S+ 0 0 112 1,-0.2 -1,-0.2 22,-0.1 23,-0.2 0.940 124.1 21.3 -63.5 -51.2 20.3 -5.8 59.4 33 37 A N T 4 S+ 0 0 111 21,-0.1 -2,-0.2 2,-0.0 -1,-0.2 0.454 86.9 127.0-109.3 -0.5 17.5 -3.4 58.6 34 38 A A < - 0 0 5 -4,-2.3 21,-0.6 1,-0.1 2,-0.2 -0.174 41.9-152.7 -61.8 148.2 14.4 -5.1 59.9 35 39 A E > - 0 0 34 19,-0.1 3,-2.8 20,-0.0 22,-1.2 -0.709 36.3 -86.6-117.9 169.8 12.1 -3.1 62.2 36 40 A V T 3 S+ 0 0 91 1,-0.3 -2,-0.1 20,-0.3 20,-0.0 0.722 127.7 50.0 -45.2 -31.9 9.7 -4.1 65.0 37 41 A N T 3 S+ 0 0 67 20,-0.1 -11,-2.4 19,-0.1 -10,-0.7 0.183 98.3 91.7 -97.7 16.0 6.9 -4.5 62.4 38 42 A H E < -c 27 0B 38 -3,-2.8 20,-1.3 17,-0.2 19,-1.2 -0.771 64.5-141.3-111.1 157.7 8.9 -6.7 60.1 39 43 A L E +cd 28 58B 0 -12,-1.7 -10,-1.5 -2,-0.3 2,-0.2 -0.955 26.9 173.4-115.0 132.0 9.4 -10.5 59.8 40 44 A T E - d 0 59B 2 18,-2.3 20,-2.6 -2,-0.4 2,-0.3 -0.585 17.0-136.8-124.7-171.6 12.8 -11.9 59.0 41 45 A F E - d 0 60B 33 -12,-0.3 2,-0.4 18,-0.2 -10,-0.2 -0.983 2.3-150.2-150.3 158.5 14.5 -15.3 58.8 42 46 A V - 0 0 0 18,-1.9 2,-0.5 -2,-0.3 23,-0.1 -0.998 10.5-171.1-130.7 128.9 17.8 -17.0 59.8 43 47 A N - 0 0 65 -2,-0.4 3,-0.2 1,-0.2 18,-0.1 -0.859 60.2 -8.3-128.4 97.5 19.1 -19.9 57.7 44 48 A G S > S- 0 0 25 -2,-0.5 3,-1.9 1,-0.1 -1,-0.2 0.070 86.5 -80.0 93.7 149.5 22.0 -21.6 59.3 45 49 A E G > S+ 0 0 152 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.629 117.4 78.7 -56.5 -14.5 24.2 -20.9 62.4 46 50 A K G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.639 93.4 45.4 -76.3 -17.3 26.1 -18.4 60.3 47 51 A H G <> S+ 0 0 60 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.176 84.3 99.5-108.1 14.1 23.4 -15.7 60.6 48 52 A L H <> S+ 0 0 15 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.934 79.1 51.2 -69.7 -48.0 22.8 -16.1 64.4 49 53 A D H > S+ 0 0 129 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.878 112.6 47.9 -54.9 -40.5 24.9 -13.1 65.5 50 54 A Q H >4 S+ 0 0 69 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.928 110.8 50.9 -66.8 -45.9 23.1 -10.9 63.0 51 55 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.901 104.0 58.9 -56.9 -42.1 19.7 -12.1 64.2 52 56 A K H 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 110.2 42.5 -59.8 -28.3 20.6 -11.5 67.8 53 57 A V T << S+ 0 0 129 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.444 92.9 118.4 -98.9 -2.0 21.2 -7.8 67.0 54 58 A S < - 0 0 10 -3,-1.6 -22,-0.1 -4,-0.5 -23,-0.1 -0.353 57.2-150.8 -73.5 143.5 18.1 -7.5 64.8 55 59 A R + 0 0 174 -21,-0.6 -17,-0.2 -24,-0.4 -1,-0.1 0.304 53.2 135.7 -86.7 5.3 15.2 -5.2 65.5 56 60 A A - 0 0 8 -25,-0.2 -20,-0.3 -5,-0.2 -17,-0.1 -0.277 53.6-142.5 -64.9 140.2 12.8 -7.6 63.7 57 61 A G S S+ 0 0 15 -19,-1.2 17,-0.5 -22,-1.2 2,-0.3 0.838 80.9 19.9 -66.5 -39.1 9.5 -8.4 65.4 58 62 A A E -de 39 74B 0 -20,-1.3 -18,-2.3 15,-0.1 2,-0.5 -0.993 68.6-141.9-140.6 147.5 9.3 -12.1 64.4 59 63 A Y E -de 40 75B 2 15,-2.9 17,-2.2 -2,-0.3 2,-0.7 -0.921 4.9-153.0-119.8 118.3 11.8 -14.8 63.3 60 64 A I E +de 41 76B 0 -20,-2.6 -18,-1.9 -2,-0.5 2,-0.2 -0.801 48.3 142.0 -77.5 115.0 11.3 -17.5 60.7 61 65 A V E - e 0 77B 0 15,-2.4 17,-2.0 -2,-0.7 2,-0.3 -0.786 50.7 -94.7-143.8-173.5 13.8 -20.1 62.1 62 66 A T > - 0 0 35 -2,-0.2 4,-2.7 15,-0.2 5,-0.3 -0.855 38.8-109.8-112.3 146.2 14.5 -23.7 62.7 63 67 A A H > S+ 0 0 60 15,-0.4 4,-0.9 -2,-0.3 -1,-0.1 0.868 122.2 45.6 -36.7 -53.9 13.8 -25.6 66.0 64 68 A A H >> S+ 0 0 62 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.935 112.0 48.9 -55.8 -53.8 17.6 -25.8 66.6 65 69 A L H >4 S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.817 102.2 64.8 -61.9 -31.8 18.2 -22.1 65.7 66 70 A K H >< S+ 0 0 28 -4,-2.7 3,-1.9 1,-0.2 -1,-0.3 0.848 91.2 65.3 -54.3 -38.5 15.4 -21.1 68.0 67 71 A E H << S+ 0 0 158 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.808 101.6 49.4 -55.1 -30.8 17.4 -22.5 70.9 68 72 A H T << S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.304 97.2 70.4 -97.7 7.0 20.0 -19.8 70.3 69 73 A L X + 0 0 2 -3,-1.9 3,-2.2 1,-0.1 -1,-0.2 -0.304 52.6 148.2-117.1 50.5 17.6 -16.8 70.2 70 74 A P T 3 + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 69.4 57.4 -56.8 -32.7 16.6 -16.6 73.9 71 75 A E T 3 S+ 0 0 171 -3,-0.2 2,-0.4 2,-0.0 -2,-0.0 0.414 92.1 90.2 -83.9 3.7 16.1 -12.9 73.8 72 76 A K < - 0 0 29 -3,-2.2 -3,-0.1 -6,-0.2 -15,-0.1 -0.833 52.7-169.7-109.6 137.5 13.5 -13.1 71.0 73 77 A D + 0 0 129 -2,-0.4 2,-0.5 -16,-0.2 -1,-0.1 0.874 63.0 58.2 -91.7 -43.3 9.7 -13.5 71.5 74 78 A N E + e 0 58B 24 -17,-0.5 -15,-2.9 -55,-0.1 2,-0.3 -0.834 59.2 163.2-110.6 127.0 8.1 -14.3 68.2 75 79 A F E -Be 18 59B 11 -57,-2.9 -57,-2.2 -2,-0.5 2,-0.4 -0.942 32.1-155.2-134.7 152.2 8.9 -17.2 65.9 76 80 A I E -Be 17 60B 0 -17,-2.2 -15,-2.4 -2,-0.3 2,-0.5 -0.987 27.5-149.8-118.5 119.7 7.7 -19.3 63.0 77 81 A I E +Be 16 61B 30 -61,-3.1 -61,-2.7 -2,-0.4 2,-0.3 -0.794 29.1 153.1 -96.7 127.5 9.3 -22.8 63.2 78 82 A V - 0 0 15 -17,-2.0 -15,-0.4 -2,-0.5 -63,-0.1 -0.906 52.4-119.9-144.7 164.1 9.9 -24.6 59.9 79 83 A D S S+ 0 0 167 -2,-0.3 -17,-0.1 1,-0.3 -1,-0.1 0.797 108.5 26.8 -77.5 -26.5 12.2 -27.2 58.4 80 84 A N > - 0 0 56 1,-0.1 4,-2.0 -19,-0.1 -1,-0.3 -0.862 61.6-173.9-144.5 92.7 13.5 -24.8 55.8 81 85 A P H > S+ 0 0 5 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.861 86.7 61.1 -56.6 -40.7 13.4 -21.0 56.5 82 86 A Y H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.940 108.9 41.6 -50.2 -54.8 14.6 -20.1 53.0 83 87 A L H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.888 113.1 52.4 -60.6 -47.4 11.5 -21.8 51.5 84 88 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.939 113.5 44.9 -53.4 -50.5 9.1 -20.4 54.1 85 89 A F H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.933 109.9 56.0 -58.8 -47.6 10.5 -16.9 53.3 86 90 A A H X S+ 0 0 0 -4,-2.9 4,-0.7 -5,-0.3 457,-0.5 0.906 108.4 47.9 -52.1 -44.9 10.2 -17.7 49.6 87 91 A I H < S+ 0 0 48 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.869 113.4 47.4 -64.3 -38.6 6.5 -18.5 50.1 88 92 A L H >X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-1.0 0.736 93.0 74.9 -81.0 -20.4 5.9 -15.3 52.0 89 93 A T H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 4,-0.4 0.874 93.3 56.1 -60.2 -34.7 7.7 -12.9 49.7 90 94 A H T 3< S+ 0 0 59 -4,-0.7 -1,-0.3 -3,-0.4 3,-0.2 0.732 100.1 58.4 -67.2 -25.8 4.8 -13.2 47.2 91 95 A V T <4 S+ 0 0 41 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.829 113.2 38.9 -72.9 -30.6 2.3 -12.1 49.9 92 96 A F S < S+ 0 0 24 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.387 94.7 115.3 -98.6 1.5 4.3 -8.8 50.3 93 97 A D S S- 0 0 53 -4,-0.4 2,-1.2 -3,-0.2 452,-0.1 -0.418 80.3-107.0 -72.8 145.0 5.0 -8.4 46.6 94 98 A K - 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