==== 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 3MQG . COMPND 2 MOLECULE: LIPOPOLYSACCHARIDES BIOSYNTHESIS ACETYLTRANSFERAS . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PETRII; . AUTHOR J.B.THODEN,H.M.HOLDEN . 1143 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 846 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 321 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 10.3 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 . 11 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 . 150 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 11.9 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 91 7 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 . 11 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 1 A M 0 0 147 0, 0.0 17,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 15.3 -10.5 22.6 -5.5 2 2 A A - 0 0 22 14,-0.5 2,-0.5 16,-0.1 19,-0.2 -0.351 360.0-124.1 -51.3 137.5 -9.5 20.9 -8.8 3 3 A T E -a 21 0A 93 17,-2.4 19,-2.8 -2,-0.0 2,-0.5 -0.816 27.5-166.5 -93.2 131.6 -8.0 17.5 -8.1 4 4 A I E -a 22 0A 77 -2,-0.5 19,-0.2 17,-0.2 20,-0.1 -0.963 22.4-121.2-123.4 115.7 -4.6 17.1 -9.6 5 5 A H > - 0 0 49 17,-2.9 3,-1.7 -2,-0.5 21,-0.1 -0.277 27.6-122.0 -49.0 136.0 -2.7 13.8 -10.0 6 6 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.768 111.4 56.8 -56.6 -24.6 0.6 13.9 -8.2 7 7 A T T 3 S+ 0 0 36 2,-0.1 2,-0.1 0, 0.0 17,-0.1 0.642 88.9 97.1 -83.8 -10.9 2.5 13.1 -11.4 8 8 A A < - 0 0 14 -3,-1.7 2,-0.5 14,-0.2 19,-0.2 -0.382 67.1-142.4 -73.1 154.6 1.0 16.1 -13.1 9 9 A I E +i 27 0B 43 17,-3.2 19,-2.6 -2,-0.1 2,-0.7 -0.941 18.3 179.4-122.4 108.9 2.9 19.4 -13.4 10 10 A V E -i 28 0B 46 -2,-0.5 19,-0.2 17,-0.2 3,-0.1 -0.926 27.5-135.0-111.0 106.5 0.8 22.5 -13.0 11 11 A D > - 0 0 57 17,-2.9 3,-2.2 -2,-0.7 -2,-0.0 -0.302 31.9 -87.0 -67.2 143.2 3.1 25.5 -13.3 12 12 A E T 3 S+ 0 0 168 1,-0.2 -1,-0.1 19,-0.0 3,-0.1 -0.234 114.8 33.9 -44.5 130.5 2.7 28.4 -10.8 13 13 A G T 3 S+ 0 0 45 1,-0.4 -1,-0.2 -3,-0.1 17,-0.1 0.010 83.1 129.1 106.1 -24.5 0.2 31.0 -12.1 14 14 A A < - 0 0 23 -3,-2.2 2,-0.5 14,-0.2 -1,-0.4 -0.332 47.8-146.5 -65.5 145.3 -2.1 28.5 -13.8 15 15 A R E +l 33 0C 133 17,-2.3 19,-2.6 -3,-0.1 2,-0.4 -0.960 19.3 176.0-117.4 124.7 -5.8 28.8 -12.9 16 16 A I E -l 34 0C 34 -2,-0.5 -14,-0.5 17,-0.2 19,-0.2 -0.988 24.7-126.0-130.2 125.4 -8.0 25.7 -12.8 17 17 A G > - 0 0 16 17,-1.7 3,-1.6 18,-0.8 20,-0.2 -0.160 34.9 -75.4 -73.7 164.9 -11.5 25.8 -11.7 18 18 A A T 3 S+ 0 0 19 1,-0.2 19,-2.0 18,-0.1 20,-0.2 -0.157 111.8 17.5 -51.5 145.2 -13.4 23.9 -9.0 19 19 A H T 3 S+ 0 0 115 1,-0.2 -1,-0.2 17,-0.2 -17,-0.1 0.404 89.7 137.6 69.8 3.2 -14.4 20.2 -9.6 20 20 A S < - 0 0 0 -3,-1.6 -17,-2.4 17,-0.2 2,-0.4 -0.397 43.1-146.2 -73.2 156.7 -11.9 19.9 -12.5 21 21 A R E -ab 3 39A 96 17,-2.5 19,-2.7 -19,-0.2 2,-0.5 -0.994 9.7-167.1-128.7 126.8 -9.8 16.7 -12.7 22 22 A I E -ab 4 40A 4 -19,-2.8 -17,-2.9 -2,-0.4 -14,-0.2 -0.961 18.4-156.3-115.1 119.0 -6.2 16.6 -14.0 23 23 A W > - 0 0 110 17,-2.8 3,-1.0 -2,-0.5 18,-0.1 0.095 35.5 -36.7 -92.0-163.3 -4.9 13.1 -14.8 24 24 A H T 3 S- 0 0 10 1,-0.2 19,-2.3 -16,-0.1 20,-0.3 -0.218 115.3 -7.1 -65.5 135.7 -1.5 11.5 -15.0 25 25 A W T 3 S+ 0 0 14 1,-0.2 2,-0.4 17,-0.2 -1,-0.2 0.832 84.5 156.3 53.7 40.6 1.6 13.3 -16.5 26 26 A V < - 0 0 0 -3,-1.0 -17,-3.2 17,-0.2 2,-0.5 -0.788 29.7-153.7 -87.8 139.1 -0.3 16.3 -17.6 27 27 A H E -ij 9 45B 8 17,-2.1 19,-2.2 -2,-0.4 2,-0.5 -0.974 11.7-176.3-114.7 120.9 1.7 19.6 -18.1 28 28 A I E -ij 10 46B 0 -19,-2.6 -17,-2.9 -2,-0.5 19,-0.2 -0.965 21.0-134.2-115.7 122.5 -0.2 22.9 -17.7 29 29 A C > - 0 0 12 17,-2.8 3,-1.4 -2,-0.5 -16,-0.0 -0.306 24.5-107.7 -75.6 162.6 1.7 26.1 -18.3 30 30 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.1 -16,-0.1 18,-0.1 0.715 113.5 55.5 -72.1 -18.5 1.4 29.1 -16.0 31 31 A G T 3 S+ 0 0 34 -17,-0.1 -1,-0.3 2,-0.0 17,-0.1 0.586 82.9 117.0 -75.5 -15.9 -0.6 31.4 -18.3 32 32 A A < - 0 0 0 -3,-1.4 -17,-2.3 14,-0.2 2,-0.4 -0.225 46.7-162.9 -69.6 145.9 -3.4 28.8 -18.7 33 33 A E E +lm 15 51C 76 17,-1.8 19,-2.6 -19,-0.2 2,-0.4 -0.997 12.3 177.0-127.4 124.4 -6.9 29.4 -17.6 34 34 A I E -lm 16 52C 9 -19,-2.6 -17,-1.7 -2,-0.4 19,-0.2 -0.991 18.5-136.6-130.3 135.1 -9.2 26.3 -17.3 35 35 A G > - 0 0 12 17,-1.3 -18,-0.8 18,-1.2 3,-0.6 0.221 34.9 -62.4 -82.7-161.0 -12.8 26.5 -16.0 36 36 A E T 3 S+ 0 0 107 1,-0.2 19,-2.9 -20,-0.1 20,-0.2 -0.569 108.4 15.8 -89.5 150.3 -14.9 24.3 -13.6 37 37 A G T 3 S+ 0 0 26 -19,-2.0 -1,-0.2 1,-0.2 -17,-0.2 0.713 85.8 147.3 67.8 20.7 -15.8 20.7 -14.1 38 38 A C < - 0 0 0 -3,-0.6 -17,-2.5 -20,-0.2 2,-0.4 -0.482 36.1-150.9 -82.2 160.7 -13.2 20.0 -16.8 39 39 A S E -bc 21 57A 2 17,-2.3 19,-3.3 -19,-0.2 2,-0.5 -0.988 7.6-169.6-132.3 125.5 -11.3 16.8 -17.3 40 40 A L E -bc 22 58A 0 -19,-2.7 -17,-2.8 -2,-0.4 19,-0.2 -0.967 18.4-146.7-117.6 112.9 -7.8 16.6 -18.7 41 41 A G > - 0 0 4 17,-2.6 3,-1.9 -2,-0.5 20,-0.1 0.030 39.5 -48.7 -75.3-177.6 -6.6 13.0 -19.6 42 42 A Q T 3 S+ 0 0 3 1,-0.3 19,-2.4 18,-0.1 20,-0.2 -0.153 121.2 3.2 -53.3 132.3 -3.2 11.4 -19.5 43 43 A N T 3 S+ 0 0 3 -19,-2.3 -1,-0.3 1,-0.2 -17,-0.2 0.576 84.5 158.6 66.2 17.4 -0.4 13.3 -21.2 44 44 A V < - 0 0 0 -3,-1.9 -17,-2.1 -20,-0.3 2,-0.4 -0.345 25.3-156.5 -62.0 148.1 -2.4 16.4 -22.0 45 45 A F E -jk 27 63B 32 17,-1.9 19,-3.4 -19,-0.2 2,-0.4 -0.989 8.2-170.8-121.1 138.9 -0.4 19.6 -22.6 46 46 A V E -jk 28 64B 0 -19,-2.2 -17,-2.8 -2,-0.4 19,-0.2 -0.987 12.8-145.4-131.1 127.0 -1.8 23.1 -22.1 47 47 A G - 0 0 2 17,-2.7 3,-0.3 -2,-0.4 -18,-0.1 0.037 25.6-102.3 -78.9-171.9 0.1 26.2 -23.2 48 48 A N S S+ 0 0 81 1,-0.2 2,-1.5 -17,-0.1 17,-0.1 0.914 111.2 54.9 -80.8 -46.5 0.2 29.7 -21.7 49 49 A R S S+ 0 0 119 -17,-0.1 18,-3.0 2,-0.0 2,-0.4 -0.486 87.2 117.0 -93.3 65.6 -2.1 31.6 -24.1 50 50 A V - 0 0 3 -2,-1.5 -17,-1.8 -3,-0.3 2,-0.5 -0.992 43.7-168.8-139.6 132.4 -5.0 29.3 -23.7 51 51 A R E -mn 33 69C 132 17,-1.1 19,-2.4 -2,-0.4 2,-0.4 -0.995 8.3-177.5-125.0 123.9 -8.5 29.7 -22.3 52 52 A I E -mn 34 70C 7 -19,-2.6 -17,-1.3 -2,-0.5 19,-0.2 -0.995 15.9-146.7-120.9 130.7 -10.6 26.6 -21.7 53 53 A G - 0 0 17 17,-2.3 -18,-1.2 -2,-0.4 3,-0.5 0.349 36.1 -54.3 -81.5-150.5 -14.2 27.1 -20.4 54 54 A N S S+ 0 0 56 1,-0.2 19,-2.4 -19,-0.2 20,-0.2 -0.671 112.0 10.0 -96.2 145.3 -16.4 25.0 -18.1 55 55 A R S S+ 0 0 117 -19,-2.9 2,-0.5 -2,-0.3 -1,-0.2 0.803 80.8 160.1 66.3 32.2 -17.2 21.3 -18.4 56 56 A V - 0 0 1 -3,-0.5 -17,-2.3 -20,-0.2 2,-0.6 -0.753 28.7-152.2 -89.6 126.7 -14.6 20.8 -21.2 57 57 A K E -cd 39 75A 63 17,-2.3 19,-3.3 -2,-0.5 2,-0.6 -0.915 13.8-177.3-104.8 115.3 -13.6 17.2 -21.6 58 58 A I E -cd 40 76A 0 -19,-3.3 -17,-2.6 -2,-0.6 19,-0.2 -0.950 13.9-151.2-116.4 111.7 -10.1 16.7 -23.0 59 59 A Q > - 0 0 29 17,-2.8 3,-0.9 -2,-0.6 -18,-0.1 -0.074 38.7 -53.7 -76.8-179.7 -9.1 13.1 -23.6 60 60 A N T 3 S+ 0 0 12 1,-0.2 19,-3.0 -20,-0.1 20,-0.2 -0.133 115.2 13.4 -54.1 145.4 -5.6 11.5 -23.6 61 61 A N T 3 S+ 0 0 4 -19,-2.4 2,-0.5 1,-0.2 -1,-0.2 0.731 81.6 144.3 67.6 27.9 -2.7 12.9 -25.6 62 62 A V < - 0 0 0 -3,-0.9 -17,-1.9 -20,-0.2 2,-0.7 -0.882 35.5-156.7 -96.1 125.9 -4.3 16.3 -26.6 63 63 A S E -k 45 0B 4 -2,-0.5 2,-1.2 17,-0.5 19,-0.7 -0.907 1.1-163.0-103.8 111.2 -2.0 19.3 -26.8 64 64 A V E -k 46 0B 0 -19,-3.4 -17,-2.7 -2,-0.7 3,-0.1 -0.756 23.1-165.2 -92.2 93.6 -3.8 22.5 -26.3 65 65 A Y > - 0 0 17 -2,-1.2 3,-1.5 -19,-0.2 18,-0.1 -0.232 31.3 -68.0 -78.3 165.3 -1.3 24.9 -27.7 66 66 A D T 3 S+ 0 0 38 1,-0.2 -16,-0.2 -16,-0.1 -1,-0.2 -0.138 120.3 31.1 -41.7 138.1 -1.0 28.7 -27.4 67 67 A N T 3 S+ 0 0 17 -18,-3.0 34,-2.3 1,-0.3 2,-0.4 0.494 87.7 123.1 80.9 13.9 -3.8 30.5 -29.3 68 68 A V E < - o 0 101C 0 -3,-1.5 -17,-1.1 -19,-0.3 2,-0.4 -0.858 39.1-171.8-101.2 131.3 -6.4 27.7 -28.8 69 69 A F E -no 51 102C 17 32,-2.5 34,-2.8 -2,-0.4 2,-0.5 -0.989 3.6-168.4-129.2 124.5 -9.7 28.7 -27.1 70 70 A L E -no 52 103C 4 -19,-2.4 -17,-2.3 -2,-0.4 34,-0.2 -0.949 10.8-149.1-116.0 117.4 -12.3 26.2 -26.1 71 71 A E > - 0 0 64 32,-3.0 3,-1.2 -2,-0.5 -18,-0.2 -0.091 44.0 -58.4 -72.2 179.9 -15.7 27.3 -25.0 72 72 A D T 3 S+ 0 0 50 1,-0.2 34,-1.9 -20,-0.1 -17,-0.2 -0.227 117.8 14.7 -58.7 147.6 -17.9 25.6 -22.5 73 73 A D T 3 S+ 0 0 9 -19,-2.4 401,-0.6 1,-0.2 402,-0.4 0.634 82.7 154.5 66.6 16.3 -18.9 21.9 -23.1 74 74 A V < - 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