==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-APR-10 3MQH . COMPND 2 MOLECULE: LIPOPOLYSACCHARIDES BIOSYNTHESIS ACETYLTRANSFERAS . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PETRII; . AUTHOR J.B.THODEN,H.M.HOLDEN . 1146 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 846 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 320 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 146 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 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 RESIDUES PER ALPHA HELIX . 10 92 6 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 PARALLEL BRIDGES PER LADDER . 12 0 0 18 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 12 6 0 0 6 0 6 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 0 A H 0 0 78 0, 0.0 19,-2.2 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 -9.5 -14.0 21.9 -4.2 2 1 A M - 0 0 87 17,-0.2 17,-0.1 1,-0.1 16,-0.1 -0.195 360.0 -82.8 -54.4 149.6 -10.6 22.8 -5.6 3 2 A A - 0 0 20 14,-0.5 2,-0.4 17,-0.1 19,-0.2 -0.245 45.0-126.8 -47.2 137.8 -9.5 21.1 -8.8 4 3 A T E -a 22 0A 91 17,-2.6 19,-2.7 -3,-0.1 2,-0.5 -0.844 25.5-165.0 -96.5 135.9 -7.9 17.7 -8.1 5 4 A I E -a 23 0A 79 -2,-0.4 19,-0.2 17,-0.2 20,-0.1 -0.972 21.4-121.8-128.8 121.3 -4.5 17.1 -9.6 6 5 A H > - 0 0 43 17,-2.6 3,-1.9 -2,-0.5 21,-0.1 -0.336 28.2-121.7 -60.5 140.1 -2.7 13.8 -10.0 7 6 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.774 111.6 56.1 -59.7 -21.7 0.6 13.9 -8.1 8 7 A T T 3 S+ 0 0 38 2,-0.1 2,-0.1 0, 0.0 16,-0.1 0.616 89.4 97.6 -84.5 -12.9 2.5 13.1 -11.4 9 8 A A < - 0 0 14 -3,-1.9 2,-0.5 14,-0.2 19,-0.2 -0.411 66.7-143.0 -70.4 154.7 1.0 16.1 -13.1 10 9 A I E +i 28 0B 45 17,-3.1 19,-2.5 -2,-0.1 2,-0.7 -0.949 17.8 179.5-121.0 108.7 2.9 19.4 -13.3 11 10 A V E -i 29 0B 47 -2,-0.5 19,-0.2 17,-0.2 3,-0.1 -0.926 26.9-135.9-108.8 108.3 0.8 22.6 -13.0 12 11 A D > - 0 0 56 17,-2.7 3,-2.2 -2,-0.7 -2,-0.0 -0.327 33.0 -83.6 -71.5 146.5 3.1 25.6 -13.3 13 12 A E T 3 S+ 0 0 177 1,-0.2 -1,-0.1 19,-0.0 3,-0.1 -0.167 115.1 30.2 -45.2 130.4 2.8 28.5 -10.8 14 13 A G T 3 S+ 0 0 28 1,-0.4 -1,-0.2 -3,-0.1 17,-0.1 0.089 81.8 132.0 106.3 -24.0 0.1 30.9 -12.0 15 14 A A < - 0 0 24 -3,-2.2 2,-0.5 14,-0.2 -1,-0.4 -0.369 47.0-144.0 -65.9 145.2 -2.2 28.5 -13.8 16 15 A R E +l 34 0C 160 17,-2.3 19,-2.7 -3,-0.1 2,-0.4 -0.954 21.0 175.4-112.9 122.6 -5.9 28.8 -13.0 17 16 A I E -l 35 0C 36 -2,-0.5 -14,-0.5 17,-0.2 19,-0.2 -0.993 25.4-127.7-129.7 123.8 -8.0 25.7 -12.8 18 17 A G > - 0 0 16 17,-1.7 3,-1.6 18,-0.9 20,-0.2 -0.129 36.4 -72.5 -74.0 164.5 -11.6 25.9 -11.7 19 18 A A T 3 S+ 0 0 25 1,-0.2 19,-2.1 18,-0.1 -17,-0.2 -0.161 113.1 16.2 -50.7 143.5 -13.4 24.0 -9.1 20 19 A H T 3 S+ 0 0 115 -19,-2.2 -1,-0.2 1,-0.3 -18,-0.1 0.386 88.5 140.0 72.7 3.5 -14.3 20.3 -9.6 21 20 A S < - 0 0 0 -3,-1.6 -17,-2.6 -20,-0.2 2,-0.4 -0.383 41.8-145.7 -75.8 157.5 -11.8 20.0 -12.5 22 21 A R E -ab 4 40A 98 17,-2.6 19,-2.7 -19,-0.2 2,-0.5 -0.990 10.7-168.0-131.0 121.8 -9.8 16.8 -12.7 23 22 A I E -ab 5 41A 4 -19,-2.7 -17,-2.6 -2,-0.4 -14,-0.2 -0.966 17.2-157.9-117.1 120.6 -6.2 16.7 -14.0 24 23 A W > - 0 0 113 17,-2.3 3,-1.1 -2,-0.5 -18,-0.1 0.082 34.4 -33.6 -96.3-161.2 -4.8 13.2 -14.7 25 24 A H T 3 S- 0 0 8 1,-0.3 19,-2.3 -16,-0.1 20,-0.3 -0.213 116.1 -9.1 -67.3 135.3 -1.4 11.5 -15.0 26 25 A W T 3 S+ 0 0 14 17,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.824 85.5 157.5 52.9 38.9 1.6 13.3 -16.4 27 26 A V < - 0 0 0 -3,-1.1 -17,-3.1 17,-0.2 2,-0.5 -0.741 27.7-155.6 -83.4 140.0 -0.3 16.3 -17.5 28 27 A H E -ij 10 46B 8 17,-2.2 19,-2.2 -2,-0.3 2,-0.5 -0.975 11.1-177.0-120.3 121.2 1.7 19.6 -18.0 29 28 A I E -ij 11 47B 0 -19,-2.5 -17,-2.7 -2,-0.5 19,-0.2 -0.964 21.0-134.1-116.4 125.0 -0.2 22.9 -17.7 30 29 A C > - 0 0 14 17,-2.6 3,-1.5 -2,-0.5 -16,-0.0 -0.355 25.7-107.2 -76.0 160.2 1.8 26.2 -18.3 31 30 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.1 -16,-0.1 18,-0.1 0.678 112.9 55.9 -67.2 -20.7 1.4 29.2 -15.9 32 31 A G T 3 S+ 0 0 43 -17,-0.1 -1,-0.3 2,-0.0 19,-0.2 0.593 82.8 116.3 -80.7 -14.2 -0.6 31.4 -18.3 33 32 A A < - 0 0 1 -3,-1.5 -17,-2.3 14,-0.2 2,-0.4 -0.241 47.5-161.8 -67.2 147.2 -3.4 28.9 -18.8 34 33 A E E +lm 16 52C 89 17,-1.8 19,-2.7 -19,-0.2 2,-0.4 -0.995 12.2 176.9-127.1 124.6 -6.9 29.4 -17.6 35 34 A I E -lm 17 53C 8 -19,-2.7 -17,-1.7 -2,-0.4 19,-0.2 -0.987 19.1-136.4-128.5 134.1 -9.2 26.4 -17.3 36 35 A G > - 0 0 13 17,-1.5 -18,-0.9 18,-1.1 3,-0.6 0.213 36.0 -62.2 -80.6-159.9 -12.8 26.6 -16.0 37 36 A E T 3 S+ 0 0 107 1,-0.2 19,-2.7 -20,-0.1 -17,-0.2 -0.556 108.7 15.6 -89.7 148.7 -14.8 24.4 -13.6 38 37 A G T 3 S+ 0 0 23 -19,-2.1 -1,-0.2 -20,-0.2 2,-0.2 0.747 85.5 148.1 67.9 24.0 -15.7 20.7 -14.0 39 38 A C < - 0 0 0 -3,-0.6 -17,-2.6 -20,-0.2 2,-0.4 -0.474 35.9-149.0 -84.4 160.6 -13.1 20.1 -16.8 40 39 A S E -bc 22 58A 19 17,-2.4 19,-3.2 -19,-0.2 2,-0.5 -0.986 9.6-172.1-131.8 125.8 -11.3 16.8 -17.3 41 40 A L E -bc 23 59A 0 -19,-2.7 -17,-2.3 -2,-0.4 19,-0.2 -0.951 18.4-148.8-118.8 112.9 -7.8 16.6 -18.7 42 41 A G > - 0 0 6 17,-2.4 3,-1.9 -2,-0.5 20,-0.1 0.004 39.8 -45.8 -77.5-173.5 -6.6 13.0 -19.5 43 42 A Q T 3 S+ 0 0 2 1,-0.3 19,-2.3 18,-0.1 20,-0.2 -0.135 121.7 1.9 -52.1 132.9 -3.2 11.3 -19.4 44 43 A N T 3 S+ 0 0 3 -19,-2.3 -1,-0.3 1,-0.2 -17,-0.2 0.583 84.4 158.4 68.2 15.2 -0.3 13.3 -21.1 45 44 A V < - 0 0 0 -3,-1.9 -17,-2.2 -20,-0.3 2,-0.4 -0.365 25.3-155.9 -62.0 149.8 -2.4 16.4 -22.0 46 45 A F E -jk 28 64B 31 17,-1.8 19,-3.3 -19,-0.2 2,-0.4 -0.983 8.1-169.4-122.8 140.4 -0.4 19.6 -22.5 47 46 A V E -jk 29 65B 0 -19,-2.2 -17,-2.6 -2,-0.4 19,-0.2 -0.990 11.6-147.1-130.6 127.0 -1.8 23.1 -22.1 48 47 A G - 0 0 2 17,-2.7 3,-0.3 -2,-0.4 -18,-0.2 0.030 26.5-105.0 -79.2-172.3 0.1 26.2 -23.2 49 48 A N S S+ 0 0 80 1,-0.2 2,-1.6 -17,-0.2 -1,-0.1 0.881 110.4 58.3 -84.0 -43.0 0.1 29.7 -21.7 50 49 A R S S+ 0 0 122 -17,-0.1 18,-3.0 2,-0.0 2,-0.4 -0.485 87.1 114.8 -91.7 61.7 -2.0 31.6 -24.2 51 50 A V - 0 0 4 -2,-1.6 -17,-1.8 -3,-0.3 2,-0.5 -0.996 44.8-169.6-139.1 132.8 -5.0 29.3 -23.7 52 51 A R E -mn 34 70C 116 17,-1.0 19,-2.6 -2,-0.4 2,-0.4 -0.994 8.6-177.7-122.2 126.8 -8.5 29.7 -22.4 53 52 A I E -mn 35 71C 8 -19,-2.7 -17,-1.5 -2,-0.5 19,-0.2 -0.997 16.5-146.3-121.1 129.0 -10.6 26.6 -21.7 54 53 A G > - 0 0 17 17,-2.7 -18,-1.1 -2,-0.4 3,-0.5 0.366 35.4 -53.3 -78.2-152.7 -14.1 27.1 -20.5 55 54 A N T 3 S+ 0 0 53 1,-0.2 19,-2.4 -19,-0.2 20,-0.2 -0.683 111.2 8.3 -93.5 145.9 -16.3 25.1 -18.2 56 55 A R T 3 S+ 0 0 110 -19,-2.7 2,-0.4 -2,-0.3 -1,-0.2 0.766 80.5 158.6 63.4 33.3 -17.2 21.3 -18.4 57 56 A V < - 0 0 0 -3,-0.5 -17,-2.4 -20,-0.2 2,-0.6 -0.747 29.0-152.5 -89.5 129.0 -14.6 20.8 -21.2 58 57 A K E -cd 40 76A 51 17,-2.1 19,-3.0 -2,-0.4 2,-0.5 -0.929 12.7-175.0-109.3 115.7 -13.6 17.1 -21.5 59 58 A I E -cd 41 77A 0 -19,-3.2 -17,-2.4 -2,-0.6 19,-0.2 -0.953 12.0-149.7-116.2 117.3 -10.2 16.5 -23.0 60 59 A Q > - 0 0 49 17,-2.6 3,-0.7 -2,-0.5 -18,-0.1 -0.181 40.4 -56.5 -80.1 175.0 -9.1 12.9 -23.6 61 60 A N T 3 S+ 0 0 12 1,-0.2 19,-2.9 -20,-0.1 20,-0.2 -0.060 114.3 16.7 -49.6 145.4 -5.6 11.5 -23.5 62 61 A N T 3 S+ 0 0 5 -19,-2.3 2,-0.5 1,-0.2 -1,-0.2 0.750 80.1 142.2 70.3 28.1 -2.8 12.9 -25.6 63 62 A V < - 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