==== 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 4FW5 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.N.KANG,J.A.STUCKEY . 1205 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 784 65.1 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 . 230 19.1 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 . 83 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 2 0 0 6 4 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 . 9 2 2 16 14 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 -1 A N 0 0 122 0, 0.0 2,-0.6 0, 0.0 968,-0.2 0.000 360.0 360.0 360.0 152.5 -2.6 10.5 8.5 2 0 A A - 0 0 16 968,-0.1 289,-3.0 966,-0.1 290,-0.2 -0.848 360.0-148.2 -95.7 114.8 -3.8 8.5 11.5 3 1 A M - 0 0 56 -2,-0.6 2,-0.7 287,-0.2 286,-0.2 -0.458 24.9-104.3 -78.2 156.6 -0.8 7.0 13.5 4 2 A I - 0 0 22 284,-2.6 124,-2.7 124,-0.1 284,-0.3 -0.756 51.2-152.5 -80.3 115.9 -0.9 3.7 15.3 5 3 A K E -A 127 0A 8 -2,-0.7 122,-0.2 122,-0.3 120,-0.1 -0.558 15.3-101.7 -94.8 156.9 -1.2 4.9 18.9 6 4 A Q E - 0 0 5 120,-2.9 118,-3.0 118,-0.3 2,-0.4 -0.380 42.4-144.5 -66.7 153.1 -0.2 3.5 22.3 7 5 A R E +A 123 0A 14 82,-0.3 84,-2.3 116,-0.2 85,-2.0 -0.972 24.9 164.3-128.7 146.9 -3.1 2.0 24.3 8 6 A T E -A 122 0A 5 114,-2.6 114,-3.0 -2,-0.4 2,-0.2 -0.704 47.8 -69.6-134.4-171.8 -4.1 1.7 27.9 9 7 A L E -A 121 0A 2 83,-0.4 112,-0.3 112,-0.2 24,-0.1 -0.589 25.7-149.7 -83.1 145.6 -7.3 0.8 29.7 10 8 A K S S+ 0 0 84 110,-3.0 2,-0.3 -2,-0.2 111,-0.2 0.796 82.3 11.9 -79.9 -34.3 -10.3 3.2 29.7 11 9 A N S S- 0 0 93 109,-0.6 -1,-0.2 105,-0.2 2,-0.2 -0.938 90.7 -84.6-140.0 163.8 -11.4 2.1 33.2 12 10 A I - 0 0 68 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.472 41.0-151.0 -69.2 135.8 -10.2 0.1 36.2 13 11 A I E -B 30 0B 8 17,-2.5 17,-2.7 -2,-0.2 2,-0.4 -0.948 7.8-162.2-110.7 135.1 -10.8 -3.8 35.9 14 12 A R E +B 29 0B 123 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.971 14.4 166.3-123.1 132.0 -11.4 -6.0 38.9 15 13 A A E -B 28 0B 10 13,-2.8 13,-3.4 -2,-0.4 2,-0.4 -0.981 15.8-160.8-140.9 151.0 -11.0 -9.8 39.0 16 14 A T E +B 27 0B 67 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.971 30.3 119.6-130.3 147.3 -10.8 -12.5 41.7 17 15 A G E -B 26 0B 18 9,-2.1 9,-2.9 -2,-0.4 2,-0.3 -0.922 51.0 -79.3-174.7-160.4 -9.5 -16.0 41.4 18 16 A V E -B 25 0B 57 -2,-0.3 86,-3.0 7,-0.2 87,-0.3 -0.947 37.4-110.3-128.5 145.3 -7.0 -18.6 42.6 19 17 A G > - 0 0 0 5,-2.1 4,-2.0 -2,-0.3 191,-0.1 -0.601 20.8-141.9 -74.9 131.8 -3.3 -19.2 41.8 20 18 A L T 4 S+ 0 0 23 82,-0.5 190,-2.4 -2,-0.3 191,-0.8 0.888 100.4 28.6 -58.4 -45.5 -2.9 -22.5 39.7 21 19 A H T 4 S+ 0 0 29 187,-0.2 188,-2.1 188,-0.2 -1,-0.1 0.915 130.0 36.8 -87.1 -46.6 0.4 -23.3 41.5 22 20 A S T 4 S- 0 0 33 186,-0.2 -2,-0.2 187,-0.1 -1,-0.1 0.705 85.4-144.1 -77.7 -29.7 -0.2 -21.7 45.0 23 21 A G < + 0 0 32 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.532 52.0 143.1 71.4 6.3 -3.9 -22.4 45.3 24 22 A E - 0 0 102 1,-0.1 -5,-2.1 -6,-0.1 -1,-0.2 -0.570 57.7-113.1 -83.5 145.0 -4.1 -18.9 47.1 25 23 A K E -B 18 0B 79 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.497 41.8-171.2 -69.5 135.8 -7.1 -16.6 46.6 26 24 A V E -B 17 0B 0 -9,-2.9 -9,-2.1 -2,-0.2 2,-0.5 -0.994 23.0-146.0-139.6 141.8 -6.0 -13.4 44.8 27 25 A Y E -B 16 0B 36 -2,-0.3 71,-1.5 -11,-0.2 2,-0.4 -0.943 20.1-162.7-104.9 123.9 -7.5 -10.1 43.9 28 26 A L E -BC 15 97B 2 -13,-3.4 -13,-2.8 -2,-0.5 2,-0.4 -0.910 7.4-174.8-110.1 133.6 -6.4 -8.7 40.5 29 27 A T E -BC 14 96B 5 67,-2.4 67,-3.4 -2,-0.4 2,-0.5 -0.991 9.0-159.5-131.6 122.3 -6.8 -5.0 39.6 30 28 A L E -BC 13 95B 0 -17,-2.7 -17,-2.5 -2,-0.4 65,-0.2 -0.909 18.6-176.4-101.1 126.2 -6.0 -3.7 36.1 31 29 A K E - C 0 94B 66 63,-2.6 63,-2.4 -2,-0.5 -22,-0.1 -0.952 30.3-103.0-124.3 146.1 -5.4 0.1 36.0 32 30 A P - 0 0 53 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.210 40.4-165.4 -58.6 152.4 -4.6 2.7 33.2 33 31 A A - 0 0 6 59,-0.5 59,-0.1 60,-0.1 4,-0.1 -0.982 22.7 -94.9-140.2 152.5 -1.0 3.8 33.1 34 32 A P > - 0 0 80 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.103 57.0 -73.2 -65.1 164.7 0.8 6.7 31.4 35 33 A V T 3 S+ 0 0 40 1,-0.2 -27,-0.0 2,-0.1 944,-0.0 -0.217 118.3 16.7 -52.5 144.4 2.5 6.5 27.9 36 34 A D T 3 S+ 0 0 100 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.633 91.3 112.5 61.6 21.9 5.8 4.5 27.8 37 35 A T < - 0 0 42 -3,-1.4 -2,-0.1 1,-0.1 55,-0.1 0.850 58.9-163.6 -81.7 -41.2 5.1 2.8 31.2 38 36 A G - 0 0 19 -4,-0.3 55,-2.1 -5,-0.1 2,-0.5 -0.356 45.7 -36.8 80.5-168.3 4.7 -0.7 29.7 39 37 A I E -d 93 0B 13 15,-0.3 15,-3.3 53,-0.2 2,-0.5 -0.796 67.2-175.4 -88.0 124.1 3.0 -3.5 31.7 40 38 A V E -dE 94 53B 10 53,-2.7 55,-3.0 -2,-0.5 2,-0.3 -0.983 14.4-148.6-126.7 121.5 4.0 -3.2 35.4 41 39 A F E -dE 95 52B 0 11,-2.9 11,-3.5 -2,-0.5 2,-0.4 -0.676 14.1-162.5 -85.5 144.7 3.0 -5.7 38.1 42 40 A S E -dE 96 51B 5 53,-3.2 55,-3.0 -2,-0.3 2,-1.1 -0.990 16.5-148.4-131.6 125.2 2.4 -4.4 41.6 43 41 A R E > +dE 97 50B 24 7,-3.0 7,-1.1 -2,-0.4 3,-0.9 -0.771 21.4 175.4 -91.1 94.9 2.3 -6.5 44.8 44 42 A T T 3 S+ 0 0 52 53,-1.7 54,-0.2 -2,-1.1 -1,-0.2 0.554 70.4 69.9 -81.8 -6.4 -0.1 -4.4 46.9 45 43 A D T 3 S+ 0 0 64 52,-0.7 -1,-0.2 5,-0.1 2,-0.2 0.607 90.2 82.1 -80.4 -14.5 -0.2 -6.9 49.8 46 44 A L S < S- 0 0 55 -3,-0.9 4,-0.0 4,-0.1 53,-0.0 -0.590 82.9-113.0 -97.2 155.5 3.5 -5.9 50.7 47 45 A D S S+ 0 0 162 -2,-0.2 2,-0.2 1,-0.2 -3,-0.0 -0.972 109.4 26.8-127.5 111.9 4.9 -3.0 52.6 48 46 A P S S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.618 110.7-111.5 -73.8 165.5 6.4 -1.1 50.8 49 47 A V - 0 0 81 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.466 30.9-141.6 -63.9 130.4 4.5 -1.9 47.6 50 48 A V E -E 43 0B 29 -7,-1.1 -7,-3.0 -2,-0.2 2,-0.4 -0.920 11.5-158.5-107.1 124.4 6.8 -3.8 45.2 51 49 A E E -E 42 0B 87 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.847 7.6-173.8-102.5 130.4 6.6 -3.0 41.4 52 50 A I E -E 41 0B 0 -11,-3.5 -11,-2.9 -2,-0.4 18,-0.1 -0.911 18.8-140.0-128.5 105.0 7.9 -5.4 38.8 53 51 A P E -E 40 0B 45 0, 0.0 2,-1.9 0, 0.0 -13,-0.3 -0.326 26.0-117.3 -60.3 138.1 7.9 -4.3 35.1 54 52 A A + 0 0 6 -15,-3.3 2,-0.3 14,-0.1 -15,-0.3 -0.586 68.7 134.3 -81.2 80.0 6.8 -7.2 32.8 55 53 A R > - 0 0 106 -2,-1.9 3,-2.0 196,-0.1 4,-0.2 -0.940 69.7-113.5-133.7 147.7 10.2 -7.3 31.0 56 54 A A G > S+ 0 0 3 194,-2.2 3,-1.6 -2,-0.3 195,-0.1 0.822 113.5 61.1 -51.5 -37.1 12.5 -10.2 30.0 57 55 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.677 100.9 55.4 -65.4 -19.8 15.3 -9.1 32.5 58 56 A N G < S+ 0 0 34 -3,-2.0 11,-2.9 192,-0.1 2,-0.4 0.392 77.3 120.3 -96.5 3.9 12.8 -9.6 35.4 59 57 A V B < +F 68 0C 11 -3,-1.6 9,-0.3 -4,-0.2 3,-0.1 -0.555 32.2 167.7 -74.7 121.6 12.1 -13.2 34.5 60 58 A G + 0 0 37 7,-3.1 -1,-0.1 -2,-0.4 8,-0.1 0.610 55.8 17.0 -93.2-107.3 13.0 -15.5 37.4 61 59 A E + 0 0 99 1,-0.1 6,-2.1 7,-0.1 -1,-0.3 -0.289 50.4 176.6 -69.8 146.4 11.8 -19.1 37.4 62 60 A T + 0 0 33 4,-0.2 205,-0.6 -3,-0.1 204,-0.2 0.021 42.9 114.5-139.8 26.6 10.5 -20.7 34.1 63 61 A T S S- 0 0 105 203,-0.1 203,-0.2 1,-0.1 204,-0.2 0.999 99.3 -11.7 -69.0 -72.3 9.8 -24.3 35.2 64 62 A M S S+ 0 0 82 1,-0.1 2,-0.3 202,-0.1 -1,-0.1 0.689 137.0 11.6-105.3 -18.0 6.0 -24.6 34.8 65 63 A S S S- 0 0 5 200,-0.0 2,-0.6 14,-0.0 -1,-0.1 -0.875 87.2 -88.7-144.6 173.2 5.0 -21.0 34.3 66 64 A T - 0 0 1 -2,-0.3 12,-1.8 -4,-0.1 11,-0.6 -0.833 45.5-167.5 -91.3 124.8 6.6 -17.6 33.7 67 65 A T E - G 0 76C 4 -6,-2.1 -7,-3.1 -2,-0.6 2,-0.3 -0.950 11.7-150.8-114.4 135.4 7.6 -15.9 36.9 68 66 A L E -FG 59 75C 0 7,-2.7 7,-2.2 -2,-0.4 2,-0.3 -0.783 20.0-170.6 -97.6 142.3 8.7 -12.3 37.4 69 67 A V E + G 0 74C 32 -11,-2.9 2,-0.3 -2,-0.3 5,-0.2 -0.986 23.3 175.5-139.7 145.6 11.1 -11.6 40.3 70 68 A K E > S- G 0 73C 110 3,-2.1 3,-2.1 -2,-0.3 2,-0.3 -0.871 79.0 -41.3-146.8 105.0 12.6 -8.5 42.1 71 69 A G T 3 S- 0 0 65 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.515 123.5 -31.5 68.8-123.2 14.7 -9.4 45.1 72 70 A D T 3 S+ 0 0 150 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.279 114.9 109.6-110.4 18.1 12.8 -12.2 46.7 73 71 A V E < -G 70 0C 30 -3,-2.1 -3,-2.1 2,-0.0 2,-0.3 -0.773 51.6-168.5 -90.3 129.7 9.3 -10.8 45.6 74 72 A K E -G 69 0C 73 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.878 26.9-166.3-123.2 150.9 7.6 -12.9 42.9 75 73 A V E -G 68 0C 0 -7,-2.2 -7,-2.7 -2,-0.3 3,-0.3 -0.949 28.7-160.0-130.4 106.3 4.7 -12.6 40.6 76 74 A D E +Gh 67 101C 32 24,-2.8 26,-2.3 -2,-0.4 -9,-0.2 -0.624 57.9 16.4 -93.8 155.2 4.0 -16.1 39.2 77 75 A T + 0 0 5 -11,-0.6 4,-0.3 -2,-0.2 3,-0.3 0.920 64.6 152.7 57.0 56.6 2.1 -17.3 36.0 78 76 A V > + 0 0 0 -12,-1.8 4,-2.4 -3,-0.3 5,-0.2 0.637 46.6 89.9 -83.5 -17.6 2.0 -13.9 34.2 79 77 A E H > S+ 0 0 5 -13,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.758 84.2 46.6 -58.3 -38.6 1.9 -15.6 30.6 80 78 A H H > S+ 0 0 6 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.899 115.5 45.4 -75.1 -40.3 -2.0 -15.9 30.1 81 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.907 115.3 47.9 -65.0 -42.8 -2.7 -12.3 31.2 82 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.838 108.0 56.0 -67.4 -33.6 0.2 -10.9 29.1 83 81 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.932 109.4 46.2 -60.5 -44.8 -1.1 -13.0 26.2 84 82 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.898 113.2 49.9 -62.5 -42.5 -4.5 -11.2 26.5 85 83 A M H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.5 0.878 114.0 44.7 -63.4 -43.7 -2.7 -7.8 26.8 86 84 A A H ><5S+ 0 0 14 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.938 110.8 54.0 -67.6 -46.2 -0.6 -8.5 23.7 87 85 A G H 3<5S+ 0 0 22 -4,-2.8 96,-0.2 1,-0.3 -2,-0.2 0.809 114.6 40.2 -58.1 -34.1 -3.6 -9.8 21.7 88 86 A L T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.437 113.3-116.3 -97.9 0.9 -5.6 -6.6 22.4 89 87 A G T < 5 + 0 0 0 -3,-1.2 2,-0.5 -4,-0.5 -82,-0.3 0.750 50.4 167.3 71.4 29.9 -2.6 -4.3 21.9 90 88 A I < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -82,-0.2 -0.662 8.9 174.3 -77.0 122.0 -2.4 -2.9 25.5 91 89 A D + 0 0 12 -84,-2.3 2,-0.4 -2,-0.5 -83,-0.2 0.862 62.7 36.1 -91.2 -44.2 0.9 -1.0 25.8 92 90 A N + 0 0 2 -85,-2.0 -59,-0.5 -59,-0.1 -83,-0.4 -0.961 67.8 133.3-124.6 128.6 0.6 0.5 29.3 93 91 A A E - d 0 39B 0 -55,-2.1 -53,-2.7 -2,-0.4 2,-0.5 -0.929 43.0-130.0-169.9 147.8 -1.0 -0.8 32.5 94 92 A Y E -Cd 31 40B 66 -63,-2.4 -63,-2.6 -2,-0.3 2,-0.7 -0.879 21.1-160.7-102.1 123.4 -0.7 -1.4 36.2 95 93 A V E -Cd 30 41B 0 -55,-3.0 -53,-3.2 -2,-0.5 2,-0.4 -0.921 9.3-164.3-109.2 102.6 -1.4 -4.9 37.3 96 94 A E E -Cd 29 42B 34 -67,-3.4 -67,-2.4 -2,-0.7 2,-0.4 -0.750 7.7-175.7 -91.0 132.9 -2.1 -4.9 41.0 97 95 A L E -Cd 28 43B 0 -55,-3.0 -53,-1.7 -2,-0.4 -52,-0.7 -0.989 27.4-157.4-130.1 140.8 -2.1 -8.3 42.8 98 96 A S S S+ 0 0 32 -71,-1.5 2,-0.3 -2,-0.4 -70,-0.1 0.361 84.6 31.7 -91.7 1.9 -2.9 -9.2 46.4 99 97 A A S S- 0 0 6 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.938 93.8 -93.7-152.4 168.3 -0.8 -12.4 46.2 100 98 A S S S+ 0 0 37 -2,-0.3 -24,-2.8 -25,-0.1 2,-0.3 0.187 100.9 57.9 -71.8 8.5 2.3 -13.8 44.5 101 99 A E B S-h 76 0C 3 -26,-0.2 -24,-0.2 -24,-0.0 -3,-0.1 -0.962 80.2-120.0-150.3 133.7 0.4 -15.4 41.5 102 100 A V - 0 0 3 -26,-2.3 -82,-0.5 -2,-0.3 -84,-0.1 -0.383 49.2 -99.4 -63.2 136.5 -2.0 -14.2 38.8 103 101 A P - 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