==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-06 2IU9 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] GLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR L.BUETOW,T.K.SMITH,A.DAWSON,S.FYFFE,W.N.HUNTER . 1037 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 830 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 298 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 145 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 1 1 1 3 1 1 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 66 11 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 PARALLEL BRIDGES PER LADDER . 0 6 5 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 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 1 A M 0 0 240 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 135.8 55.5 -107.6 -76.6 2 2 A S - 0 0 48 1,-0.1 27,-0.1 2,-0.1 3,-0.1 -0.297 360.0-105.8-101.2-175.8 53.8 -104.3 -75.6 3 3 A Q S S+ 0 0 106 25,-0.2 2,-0.3 1,-0.2 93,-0.1 0.932 90.0 3.6 -76.4 -49.2 50.6 -102.5 -76.5 4 4 A S - 0 0 32 24,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.925 53.8-143.5-142.5 159.6 51.9 -99.7 -78.9 5 5 A T + 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 23,-0.2 -0.996 21.1 176.9-130.6 131.7 55.0 -98.3 -80.6 6 6 A Y E -A 27 0A 34 21,-2.8 21,-3.1 -2,-0.4 2,-0.2 -0.884 27.9-121.2-126.1 154.8 55.8 -94.6 -81.2 7 7 A S E > -A 26 0A 28 -2,-0.3 4,-2.6 19,-0.2 5,-0.3 -0.635 33.4-112.9 -86.5 159.0 58.7 -92.6 -82.7 8 8 A L H > S+ 0 0 0 17,-1.3 4,-2.0 14,-0.3 15,-0.2 0.936 119.9 42.1 -54.9 -47.4 60.4 -90.1 -80.4 9 9 A E H > S+ 0 0 91 14,-2.3 4,-3.0 2,-0.2 5,-0.2 0.927 112.9 51.2 -64.9 -49.3 59.0 -87.3 -82.6 10 10 A Q H > S+ 0 0 103 13,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.896 115.0 43.9 -55.3 -44.4 55.5 -88.8 -83.1 11 11 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.858 111.7 53.8 -69.3 -39.1 55.2 -89.2 -79.3 12 12 A A H X>S+ 0 0 0 -4,-2.0 5,-2.2 -5,-0.3 4,-0.6 0.915 110.5 46.2 -61.5 -45.9 56.6 -85.7 -78.7 13 13 A D H <5S+ 0 0 99 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.831 109.4 55.7 -66.0 -33.5 54.1 -84.1 -81.0 14 14 A F H <5S+ 0 0 118 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.834 112.0 42.9 -66.6 -34.2 51.3 -86.2 -79.3 15 15 A L H <5S- 0 0 14 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.541 110.2-123.0 -85.6 -9.3 52.4 -84.7 -75.9 16 16 A K T <5 + 0 0 189 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.964 69.1 134.5 57.1 57.9 52.7 -81.2 -77.4 17 17 A V < - 0 0 19 -5,-2.2 -1,-0.2 64,-0.1 64,-0.2 -0.991 59.2-115.8-141.4 135.8 56.3 -81.2 -76.1 18 18 A E E -B 80 0B 113 62,-1.0 62,-1.8 -2,-0.3 2,-0.3 -0.407 34.2-158.2 -69.5 150.1 59.6 -80.2 -77.7 19 19 A F E -B 79 0B 47 60,-0.2 2,-0.3 -2,-0.1 60,-0.2 -0.910 13.7-161.9-128.5 161.1 62.2 -83.0 -78.3 20 20 A Q E +B 78 0B 79 58,-2.1 58,-3.2 -2,-0.3 2,-0.3 -0.992 57.4 30.7-139.6 136.3 66.0 -83.3 -78.8 21 21 A G S S- 0 0 46 -2,-0.3 2,-0.9 56,-0.2 56,-0.1 -0.790 107.9 -6.0 116.3-163.1 67.8 -86.3 -80.2 22 22 A N > - 0 0 101 -2,-0.3 3,-1.5 1,-0.2 -14,-0.3 -0.579 51.8-167.7 -74.9 105.0 66.8 -88.9 -82.8 23 23 A G T 3 S+ 0 0 11 -2,-0.9 -14,-2.3 1,-0.3 -13,-0.5 0.674 85.1 63.6 -62.2 -19.7 63.2 -88.3 -83.7 24 24 A A T 3 S+ 0 0 69 -17,-0.2 -1,-0.3 -16,-0.2 -2,-0.1 0.650 73.4 124.8 -79.7 -17.8 63.1 -91.6 -85.5 25 25 A T < - 0 0 25 -3,-1.5 -17,-1.3 -18,-0.1 2,-0.3 -0.176 60.7-128.3 -52.7 124.4 63.7 -93.7 -82.3 26 26 A L E -A 7 0A 120 -19,-0.2 2,-0.4 -18,-0.1 -19,-0.2 -0.570 24.1-168.9 -79.2 137.3 61.1 -96.3 -81.7 27 27 A L E +A 6 0A 0 -21,-3.1 -21,-2.8 -2,-0.3 13,-0.2 -0.991 18.2 163.3-134.6 123.5 59.5 -96.3 -78.2 28 28 A S - 0 0 31 11,-2.7 2,-0.3 -2,-0.4 -24,-0.2 0.156 60.0 -2.7-132.2 17.4 57.3 -99.1 -76.9 29 29 A G E -c 40 0B 10 10,-0.8 12,-2.1 -27,-0.1 2,-0.3 -0.984 63.4-100.0 175.6 179.1 57.1 -98.8 -73.1 30 30 A V E +c 41 0B 17 -2,-0.3 2,-0.3 10,-0.3 12,-0.2 -0.886 31.1 169.7-122.2 156.0 58.0 -97.0 -69.9 31 31 A E - 0 0 19 10,-2.2 12,-0.3 -2,-0.3 5,-0.0 -0.986 41.6 -82.9-157.0 158.8 60.6 -97.8 -67.1 32 32 A E >> - 0 0 56 -2,-0.3 4,-2.4 10,-0.1 3,-1.9 -0.331 50.4-110.0 -59.2 147.3 62.3 -96.3 -64.0 33 33 A I T 34 S+ 0 0 9 10,-0.3 25,-0.2 1,-0.3 24,-0.1 0.806 115.1 50.4 -55.4 -36.9 65.3 -94.1 -65.0 34 34 A E T 34 S+ 0 0 111 1,-0.2 -1,-0.3 22,-0.1 -2,-0.1 0.463 120.7 34.3 -83.5 -2.3 67.9 -96.5 -63.6 35 35 A E T <4 S+ 0 0 123 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.627 83.6 125.4-120.5 -27.3 66.5 -99.6 -65.4 36 36 A A < - 0 0 7 -4,-2.4 21,-0.6 1,-0.1 2,-0.2 0.017 40.1-161.1 -45.0 134.9 65.2 -98.2 -68.7 37 37 A K > - 0 0 140 19,-0.1 3,-1.5 4,-0.1 22,-0.9 -0.432 41.6 -79.4-104.7-174.5 66.4 -99.7 -72.0 38 38 A T T 3 S+ 0 0 94 20,-0.3 -2,-0.1 1,-0.3 20,-0.0 0.841 129.1 52.0 -58.1 -39.1 66.4 -98.4 -75.6 39 39 A A T 3 S+ 0 0 39 -12,-0.1 -11,-2.7 19,-0.1 -10,-0.8 0.633 99.3 93.1 -70.4 -14.2 62.7 -99.3 -76.1 40 40 A H E < -c 29 0B 50 -3,-1.5 19,-1.9 -13,-0.2 20,-0.6 -0.457 62.8-145.7 -93.4 151.5 61.7 -97.4 -72.9 41 41 A I E +cd 30 60B 0 -12,-2.1 -10,-2.2 18,-0.2 2,-0.3 -0.899 29.9 167.0-105.0 141.7 60.5 -93.9 -72.0 42 42 A T E - d 0 61B 0 18,-2.6 20,-3.4 -2,-0.4 2,-0.4 -0.870 23.6-132.0-143.9 176.3 61.6 -92.5 -68.7 43 43 A F E - d 0 62B 34 -12,-0.3 2,-0.6 18,-0.3 -10,-0.3 -1.000 10.4-136.7-139.4 140.4 61.8 -89.2 -66.7 44 44 A L - 0 0 2 18,-1.9 2,-0.6 -2,-0.4 20,-0.4 -0.855 22.6-161.2 -89.4 120.1 64.3 -87.3 -64.6 45 45 A D - 0 0 44 -2,-0.6 2,-5.5 40,-0.1 3,-0.2 -0.593 33.3-110.1-113.7 68.6 62.6 -86.1 -61.5 46 46 A N S S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.133 96.9 86.9 45.9 -26.9 64.6 -83.3 -60.0 47 47 A E S S- 0 0 133 -2,-5.5 -1,-0.2 2,-0.0 3,-0.1 0.981 99.0 -30.8 -68.4 -87.4 65.7 -85.3 -57.0 48 48 A K S S+ 0 0 136 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 0.277 82.4 104.5-105.2-137.0 68.8 -87.4 -57.6 49 49 A Y > + 0 0 48 1,-0.1 4,-0.6 3,-0.0 5,-0.2 0.599 33.5 139.5 70.9 21.7 70.2 -89.0 -60.8 50 50 A A H > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.939 90.8 21.6 -57.2 -51.2 73.1 -86.6 -61.6 51 51 A K H > S+ 0 0 165 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.697 119.3 66.3 -87.3 -24.5 75.4 -89.5 -62.6 52 52 A H H 4 S+ 0 0 96 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.376 98.4 52.5 -85.4 2.1 72.4 -91.8 -63.2 53 53 A L H >< S+ 0 0 0 -4,-0.6 3,-0.9 -3,-0.3 -1,-0.2 0.732 104.0 56.4 -95.9 -39.6 71.3 -89.7 -66.2 54 54 A K H 3< S+ 0 0 135 -4,-0.6 2,-0.8 1,-0.3 -2,-0.2 0.927 111.6 42.8 -54.8 -50.2 74.7 -89.9 -67.8 55 55 A S T 3< S+ 0 0 98 -4,-1.6 2,-0.5 2,-0.0 -1,-0.3 -0.468 86.4 125.0 -99.7 58.9 74.7 -93.7 -67.8 56 56 A S < - 0 0 6 -3,-0.9 -19,-0.1 -2,-0.8 -22,-0.1 -0.984 42.7-166.9-120.9 123.0 71.1 -94.2 -68.9 57 57 A E + 0 0 147 -21,-0.6 -17,-0.2 -2,-0.5 -1,-0.1 0.103 42.3 138.0 -94.3 20.7 70.3 -96.3 -72.0 58 58 A A - 0 0 12 -25,-0.2 19,-0.4 1,-0.1 -20,-0.3 -0.216 55.2-139.5 -63.5 154.9 66.7 -95.0 -72.3 59 59 A G S S+ 0 0 1 -19,-1.9 2,-0.3 -22,-0.9 -18,-0.2 0.477 88.7 19.0 -93.4 -5.9 65.2 -94.2 -75.6 60 60 A A E -d 41 0B 0 -20,-0.6 -18,-2.6 2,-0.0 2,-0.5 -0.884 62.4-166.5-164.4 131.7 63.4 -91.1 -74.2 61 61 A I E -de 42 78B 0 16,-2.2 18,-3.0 -2,-0.3 2,-0.7 -0.970 16.8-143.2-127.8 116.0 63.9 -89.0 -71.1 62 62 A I E +de 43 79B 0 -20,-3.4 -18,-1.9 -2,-0.5 2,-0.4 -0.686 33.3 175.2 -78.2 114.5 61.2 -86.6 -70.0 63 63 A I E - e 0 80B 0 16,-2.1 18,-2.1 -2,-0.7 -18,-0.1 -0.943 32.0-116.9-129.0 142.5 63.1 -83.6 -68.6 64 64 A S E > - e 0 81B 25 -20,-0.4 4,-1.8 -2,-0.4 3,-0.4 -0.383 30.0-119.4 -66.7 153.8 62.2 -80.2 -67.2 65 65 A R H > S+ 0 0 134 16,-1.1 4,-2.3 1,-0.2 5,-0.2 0.926 113.5 55.9 -61.4 -46.2 63.5 -77.1 -69.2 66 66 A T H 4 S+ 0 0 85 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.769 115.8 39.3 -57.7 -27.5 65.4 -75.8 -66.2 67 67 A Q H > S+ 0 0 38 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.657 108.4 59.2 -99.2 -22.2 67.2 -79.2 -66.0 68 68 A F H < S+ 0 0 13 -4,-1.8 3,-0.4 2,-0.2 4,-0.2 0.917 100.7 57.9 -67.9 -44.3 67.6 -79.8 -69.8 69 69 A Q T >< S+ 0 0 117 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.839 107.6 48.5 -52.5 -37.0 69.6 -76.5 -70.0 70 70 A K T 34 S+ 0 0 144 -4,-0.4 -1,-0.2 -5,-0.2 3,-0.2 0.829 119.5 35.9 -72.9 -34.8 72.0 -78.1 -67.4 71 71 A Y T >< S+ 0 0 62 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.2 0.021 80.3 125.4-109.4 26.7 72.3 -81.4 -69.3 72 72 A R T < + 0 0 157 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.803 67.6 55.7 -52.7 -39.8 72.2 -79.9 -72.8 73 73 A D T 3 S+ 0 0 137 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.511 83.5 111.6 -79.3 -5.6 75.5 -81.5 -74.0 74 74 A L S < S- 0 0 29 -3,-1.6 2,-1.8 1,-0.1 -3,-0.0 -0.453 72.7-122.9 -79.5 141.3 74.5 -85.1 -73.2 75 75 A N + 0 0 150 -2,-0.2 2,-0.3 -21,-0.1 -1,-0.1 -0.526 68.4 116.8 -80.9 75.0 73.9 -87.7 -75.9 76 76 A K S S- 0 0 48 -2,-1.8 2,-0.7 -15,-0.0 -17,-0.1 -0.966 71.5-106.7-139.3 153.0 70.3 -88.7 -74.9 77 77 A N - 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