==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUN-12 4FW3 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.N.KANG,J.A.STUCKEY . 1206 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 227 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 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 . 96 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 6 0 0 0 0 7 5 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 0 4 4 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 . 10 0 2 13 17 4 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 . 4 10 2 8 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 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 -2 A S > 0 0 75 0, 0.0 3,-0.9 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 168.0 15.3 -3.3 -23.3 2 -1 A N T 3 + 0 0 138 1,-0.2 4,-0.1 124,-0.0 289,-0.1 0.769 360.0 54.5 -68.6 -29.5 19.0 -2.9 -22.6 3 0 A A T 3 S+ 0 0 55 287,-0.2 289,-2.1 2,-0.1 -1,-0.2 0.393 88.3 109.0 -86.2 -0.1 18.8 0.9 -23.1 4 1 A M S < S- 0 0 23 -3,-0.9 2,-0.8 287,-0.2 286,-0.2 -0.285 86.5 -95.7 -74.5 161.0 15.9 1.3 -20.5 5 2 A I - 0 0 19 284,-1.8 124,-3.2 124,-0.1 284,-0.3 -0.729 54.7-150.2 -77.8 108.5 16.3 2.9 -17.0 6 3 A K E -A 128 0A 25 -2,-0.8 122,-0.2 122,-0.3 120,-0.1 -0.514 13.5-102.4 -85.0 153.9 16.8 -0.2 -15.0 7 4 A Q E -A 125 0A 6 120,-2.5 118,-3.1 118,-0.5 2,-0.3 -0.350 41.2-139.3 -67.9 151.3 15.9 -1.0 -11.4 8 5 A R E +A 124 0A 14 82,-0.3 85,-2.6 116,-0.2 84,-1.6 -0.932 27.3 161.5-126.3 147.8 18.8 -0.8 -8.9 9 6 A T E -A 123 0A 7 114,-2.1 114,-2.7 -2,-0.3 2,-0.2 -0.792 46.6 -73.5-141.4-179.6 20.0 -2.8 -5.8 10 7 A L E -A 122 0A 1 83,-0.4 112,-0.2 -2,-0.2 111,-0.1 -0.531 25.5-146.8 -81.1 151.6 23.3 -3.1 -3.8 11 8 A K S S+ 0 0 118 110,-2.3 2,-0.3 -2,-0.2 110,-0.2 0.826 81.7 10.8 -83.6 -36.3 26.2 -5.1 -5.3 12 9 A N S S- 0 0 99 109,-0.4 2,-0.4 108,-0.4 -1,-0.2 -0.869 85.1 -93.6-137.0 168.3 27.3 -6.4 -1.8 13 10 A I - 0 0 95 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.746 42.0-169.5 -84.8 125.4 26.1 -6.6 1.8 14 11 A I E -B 31 0B 36 17,-2.1 17,-2.8 -2,-0.4 2,-0.3 -0.959 4.5-156.8-121.8 139.9 27.5 -3.6 3.9 15 12 A R E +B 30 0B 172 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.878 11.1 178.4-116.1 148.1 27.3 -3.3 7.7 16 13 A A E -B 29 0B 12 13,-2.6 13,-3.3 -2,-0.3 2,-0.4 -0.985 15.5-144.2-146.7 148.6 27.4 -0.1 10.0 17 14 A T E +B 28 0B 90 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.915 35.5 123.6-117.3 144.3 27.2 0.5 13.7 18 15 A G E -B 27 0B 16 9,-2.2 9,-3.3 -2,-0.4 2,-0.3 -0.926 47.5 -90.4-170.4-167.6 25.5 3.5 15.5 19 16 A V E -B 26 0B 57 -2,-0.3 86,-2.6 7,-0.3 87,-0.3 -0.951 37.1-107.6-128.2 147.6 23.0 4.8 18.0 20 17 A G B > -F 104 0C 0 5,-1.8 4,-1.6 -2,-0.3 191,-0.2 -0.564 22.4-139.4 -73.8 133.2 19.3 5.8 17.7 21 18 A L T 4 S+ 0 0 19 82,-0.5 190,-2.1 -2,-0.3 191,-0.4 0.910 100.8 24.8 -59.8 -45.4 18.8 9.6 17.9 22 19 A H T 4 S+ 0 0 21 187,-0.3 188,-1.2 188,-0.2 -1,-0.2 0.749 130.7 39.6 -93.9 -29.2 15.6 9.4 20.1 23 20 A S T 4 S- 0 0 30 186,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.818 84.8-146.4 -88.9 -37.8 16.2 6.0 21.8 24 21 A G < + 0 0 32 -4,-1.6 2,-0.2 1,-0.3 -3,-0.1 0.489 49.4 141.7 80.1 5.9 19.9 6.2 22.5 25 22 A E - 0 0 66 1,-0.1 -5,-1.8 -6,-0.0 -1,-0.3 -0.597 59.5-109.5 -82.3 140.8 20.2 2.4 21.9 26 23 A K E -B 19 0B 129 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.3 -0.465 42.9-169.8 -66.8 133.0 23.2 0.8 20.1 27 24 A V E -B 18 0B 0 -9,-3.3 -9,-2.2 -2,-0.1 2,-0.6 -0.998 22.0-146.2-137.2 137.0 22.1 -0.5 16.7 28 25 A Y E -B 17 0B 113 -2,-0.4 71,-1.0 -11,-0.2 2,-0.4 -0.915 19.8-158.0-101.3 114.4 23.7 -2.7 14.0 29 26 A L E -BC 16 98B 1 -13,-3.3 -13,-2.6 -2,-0.6 2,-0.4 -0.856 9.2-174.1 -96.8 129.2 22.6 -1.6 10.5 30 27 A T E -BC 15 97B 6 67,-2.7 67,-3.4 -2,-0.4 2,-0.5 -0.974 6.8-163.8-129.0 114.9 22.9 -4.2 7.6 31 28 A L E +BC 14 96B 0 -17,-2.8 -17,-2.1 -2,-0.4 65,-0.2 -0.877 18.4 179.4 -98.4 122.5 22.1 -3.1 4.0 32 29 A K E - C 0 95B 58 63,-2.7 63,-2.5 -2,-0.5 -22,-0.2 -0.934 31.9-100.8-125.1 151.9 21.6 -6.1 1.7 33 30 A P E - C 0 94B 50 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.342 38.9-160.6 -66.9 150.2 20.7 -6.6 -2.1 34 31 A A - 0 0 6 59,-0.6 59,-0.2 -24,-0.1 3,-0.1 -0.958 18.1-104.4-131.6 151.1 17.1 -7.4 -2.8 35 32 A P > - 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.080 58.0 -61.7 -68.2 173.9 15.3 -9.0 -5.9 36 33 A V T 3 S+ 0 0 60 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.244 119.1 10.6 -56.6 138.4 13.3 -7.1 -8.6 37 34 A D T 3 S+ 0 0 99 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.691 91.3 116.3 60.6 31.8 10.1 -5.2 -7.3 38 35 A T < - 0 0 40 -3,-1.1 55,-0.1 1,-0.1 -2,-0.1 0.877 53.7-165.7 -86.9 -45.4 10.9 -5.6 -3.6 39 36 A G - 0 0 18 -4,-0.3 55,-2.0 -5,-0.1 2,-0.6 -0.389 48.2 -34.2 83.0-166.1 11.4 -1.9 -2.8 40 37 A I E -d 94 0B 11 15,-0.3 15,-3.6 53,-0.2 2,-0.5 -0.816 68.4-175.6 -89.8 118.9 13.0 -0.8 0.5 41 38 A V E -dE 95 54B 10 53,-2.3 55,-3.3 -2,-0.6 2,-0.3 -0.987 13.5-149.1-122.1 122.8 12.1 -3.3 3.2 42 39 A F E -dE 96 53B 0 11,-2.8 11,-3.3 -2,-0.5 2,-0.4 -0.711 13.9-163.5 -90.2 139.6 13.1 -2.8 6.9 43 40 A S E -dE 97 52B 3 53,-3.2 55,-2.8 -2,-0.3 2,-1.0 -0.994 18.1-148.4-131.4 129.7 13.8 -5.9 9.1 44 41 A R E > +dE 98 51B 20 7,-2.6 7,-1.1 -2,-0.4 3,-0.6 -0.837 22.3 172.6 -95.2 95.6 14.0 -6.3 12.9 45 42 A T T 3 + 0 0 55 53,-1.6 54,-0.2 -2,-1.0 -1,-0.2 0.535 70.0 71.7 -83.2 -9.5 16.5 -9.1 13.2 46 43 A D T 3 S+ 0 0 74 52,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.600 89.6 78.0 -78.9 -14.9 16.7 -8.7 17.0 47 44 A L S < S- 0 0 57 -3,-0.6 4,-0.0 4,-0.1 53,-0.0 -0.723 86.0-116.1 -99.2 147.2 13.2 -10.2 17.2 48 45 A D S S+ 0 0 166 -2,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.969 108.4 31.4-123.8 107.2 12.2 -13.9 17.0 49 46 A P S S- 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.566 109.3-115.0 -75.9 161.8 10.5 -14.3 14.5 50 47 A V - 0 0 81 -2,-0.1 2,-0.5 -5,-0.1 -5,-0.2 -0.448 27.4-143.3 -65.1 130.0 12.1 -11.5 12.3 51 48 A V E -E 44 0B 30 -7,-1.1 -7,-2.6 -2,-0.2 2,-0.5 -0.894 9.9-155.7-103.9 126.2 9.5 -8.7 11.5 52 49 A E E -E 43 0B 86 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.898 10.3-176.1-104.9 125.7 9.6 -7.1 8.1 53 50 A I E -E 42 0B 1 -11,-3.3 -11,-2.8 -2,-0.5 2,-0.1 -0.951 20.1-140.3-122.4 108.6 8.2 -3.6 7.5 54 51 A P E -E 41 0B 47 0, 0.0 2,-2.1 0, 0.0 -13,-0.3 -0.445 25.5-113.8 -67.5 140.1 8.2 -2.3 3.9 55 52 A A + 0 0 5 -15,-3.6 2,-0.3 -2,-0.1 -15,-0.3 -0.525 69.4 135.2 -76.6 77.1 9.2 1.4 3.5 56 53 A R > - 0 0 109 -2,-2.1 3,-1.1 196,-0.1 196,-0.2 -0.904 67.7-117.3-126.5 153.9 5.7 2.5 2.2 57 54 A A G > S+ 0 0 5 194,-2.0 3,-1.1 -2,-0.3 195,-0.1 0.777 112.9 59.2 -59.1 -34.4 3.4 5.4 3.1 58 55 A E G 3 S+ 0 0 132 1,-0.2 -1,-0.2 193,-0.2 -3,-0.1 0.725 101.5 55.0 -68.8 -25.1 0.6 3.1 4.4 59 56 A N G < S+ 0 0 35 -3,-1.1 11,-3.3 -5,-0.2 2,-0.4 0.360 79.1 120.6 -91.3 4.6 3.0 1.6 7.1 60 57 A V B < +G 69 0D 11 -3,-1.1 9,-0.2 9,-0.2 3,-0.1 -0.586 32.9 168.3 -75.2 121.0 3.8 5.1 8.5 61 58 A G + 0 0 34 7,-3.0 2,-0.2 -2,-0.4 -1,-0.1 0.738 54.5 14.6 -94.5 -99.4 2.9 5.3 12.2 62 59 A E + 0 0 41 1,-0.1 6,-2.0 5,-0.0 -1,-0.3 -0.495 46.5 179.6 -83.8 151.6 4.1 8.3 14.2 63 60 A T + 0 0 33 4,-0.2 205,-0.5 -2,-0.2 204,-0.2 -0.161 44.9 117.7-140.8 37.0 5.4 11.6 12.7 64 61 A T S S- 0 0 44 2,-0.2 204,-0.2 203,-0.1 203,-0.2 0.996 99.4 -14.8 -71.1 -69.3 6.1 13.6 15.9 65 62 A M S S+ 0 0 82 1,-0.2 2,-0.3 202,-0.1 202,-0.1 0.661 137.4 10.3-108.0 -30.0 10.0 14.1 15.7 66 63 A S S S- 0 0 8 200,-0.0 2,-0.5 201,-0.0 -1,-0.2 -0.871 86.9 -86.9-142.2 171.7 10.8 11.5 13.0 67 64 A T - 0 0 0 -2,-0.3 12,-1.6 -4,-0.1 2,-0.4 -0.788 45.7-165.0 -88.7 123.9 9.2 9.2 10.4 68 65 A T - 0 0 4 -6,-2.0 -7,-3.0 -2,-0.5 2,-0.5 -0.940 13.0-147.6-115.5 132.9 8.3 5.9 12.1 69 66 A L E -GH 60 76D 0 7,-2.8 7,-2.0 -2,-0.4 2,-0.4 -0.873 22.9-169.4 -98.5 126.2 7.3 2.6 10.3 70 67 A V E + H 0 75D 24 -11,-3.3 2,-0.3 -2,-0.5 5,-0.2 -0.958 22.7 172.1-125.1 141.0 4.8 0.5 12.2 71 68 A K E > S- H 0 74D 113 3,-2.1 3,-2.0 -2,-0.4 2,-0.7 -0.869 77.0 -48.5-144.9 99.6 3.4 -3.1 11.8 72 69 A G T 3 S- 0 0 64 -2,-0.3 658,-0.1 1,-0.3 -2,-0.0 -0.592 122.2 -27.2 72.9-108.0 1.3 -4.1 14.8 73 70 A D T 3 S+ 0 0 52 -2,-0.7 2,-0.4 656,-0.1 -1,-0.3 0.365 115.1 105.6-115.9 -2.4 3.4 -3.1 17.8 74 71 A V E < -H 71 0D 31 -3,-2.0 -3,-2.1 656,-0.1 2,-0.3 -0.680 54.0-167.4 -83.4 129.0 6.8 -3.5 16.0 75 72 A K E -H 70 0D 14 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.875 24.7-164.4-122.0 153.4 8.4 -0.1 15.1 76 73 A V E -H 69 0D 0 -7,-2.0 -7,-2.8 -2,-0.3 3,-0.3 -0.927 26.8-159.2-134.7 100.9 11.3 1.2 12.9 77 74 A D B +i 102 0E 32 24,-3.6 26,-2.3 -2,-0.4 -9,-0.2 -0.530 58.5 13.4 -87.7 154.9 12.1 4.9 14.0 78 75 A T + 0 0 6 -11,-0.3 4,-0.3 24,-0.2 3,-0.2 0.920 65.5 152.9 48.8 65.0 14.0 7.7 12.1 79 76 A V > + 0 0 0 -12,-1.6 4,-2.4 -3,-0.3 5,-0.2 0.613 48.3 86.9 -90.9 -17.8 13.9 6.2 8.5 80 77 A E H > S+ 0 0 5 -13,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.757 86.2 48.7 -58.5 -37.1 14.0 9.6 6.6 81 78 A H H > S+ 0 0 7 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.894 115.8 42.6 -75.7 -38.3 17.8 10.1 6.5 82 79 A L H > S+ 0 0 0 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.891 114.3 50.9 -72.2 -39.9 18.5 6.5 5.2 83 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.789 105.2 58.4 -67.0 -28.7 15.6 6.7 2.7 84 81 A S H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.894 107.2 46.9 -64.2 -43.0 17.0 10.1 1.5 85 82 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.887 111.7 50.5 -64.7 -44.0 20.3 8.3 0.6 86 83 A M H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 4,-0.3 0.877 115.2 43.5 -61.5 -42.6 18.4 5.4 -1.2 87 84 A A H ><5S+ 0 0 17 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.879 111.9 53.1 -70.2 -43.9 16.3 8.0 -3.2 88 85 A G H 3<5S+ 0 0 17 -4,-2.5 96,-0.2 1,-0.2 -2,-0.2 0.802 116.6 37.7 -62.6 -35.1 19.4 10.2 -4.0 89 86 A L T 3<5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.404 114.4-116.3 -98.2 -0.1 21.4 7.2 -5.4 90 87 A G T < 5 + 0 0 0 -3,-0.5 2,-0.6 -4,-0.3 -82,-0.3 0.765 47.7 172.6 69.7 33.0 18.3 5.7 -7.0 91 88 A I < + 0 0 0 -5,-3.1 -1,-0.2 -6,-0.2 -82,-0.2 -0.629 6.1 174.9 -74.2 114.2 18.2 2.4 -5.0 92 89 A D + 0 0 10 -84,-1.6 2,-0.4 -2,-0.6 -83,-0.2 0.912 64.9 31.3 -85.5 -50.7 15.0 0.6 -5.9 93 90 A N + 0 0 3 -85,-2.6 -59,-0.6 -59,-0.2 -83,-0.4 -0.958 69.9 141.6-120.5 127.2 15.3 -2.7 -4.0 94 91 A A E -Cd 33 40B 0 -55,-2.0 -53,-2.3 -2,-0.4 2,-0.5 -0.963 40.2-135.3-160.8 144.0 17.2 -3.2 -0.7 95 92 A Y E -Cd 32 41B 59 -63,-2.5 -63,-2.7 -2,-0.3 2,-0.7 -0.925 21.0-161.4-101.9 119.9 16.8 -5.1 2.6 96 93 A V E -Cd 31 42B 0 -55,-3.3 -53,-3.2 -2,-0.5 2,-0.4 -0.906 7.1-166.0-108.0 105.0 17.5 -2.9 5.6 97 94 A E E -Cd 30 43B 33 -67,-3.4 -67,-2.7 -2,-0.7 2,-0.3 -0.745 6.4-175.9 -93.0 136.0 18.3 -5.1 8.7 98 95 A L E -Cd 29 44B 0 -55,-2.8 -53,-1.6 -2,-0.4 -52,-0.8 -0.996 27.0-156.8-134.1 138.3 18.3 -3.4 12.2 99 96 A S S S+ 0 0 34 -71,-1.0 2,-0.3 -2,-0.3 -70,-0.1 0.318 84.9 34.1 -91.6 3.0 19.2 -4.9 15.7 100 97 A A S S- 0 0 7 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.939 93.1 -96.3-150.7 168.7 17.1 -2.2 17.4 101 98 A S S S+ 0 0 25 -2,-0.3 -24,-3.6 -25,-0.1 2,-0.4 0.571 101.3 60.8 -65.3 -15.7 13.8 -0.1 16.9 102 99 A E B S-i 77 0E 0 -26,-0.2 -24,-0.2 -77,-0.1 -2,-0.1 -0.956 80.7-121.6-125.5 142.0 15.7 3.0 15.4 103 100 A V - 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