==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 21-JUN-13 4LCG . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.-J.LEE,P.ZHOU . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 3 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 2 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 M 0 0 82 0, 0.0 2,-0.7 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 158.2 5.9 10.3 10.0 2 2 A I - 0 0 26 284,-2.3 124,-3.0 124,-0.2 284,-0.3 -0.775 360.0-147.9 -79.7 119.1 3.2 7.7 9.5 3 3 A K E -A 125 0A 56 -2,-0.7 122,-0.2 122,-0.3 120,-0.1 -0.504 14.1-100.5 -93.0 156.0 2.2 8.2 5.9 4 4 A Q E - 0 0 4 120,-2.6 118,-2.7 118,-0.5 2,-0.4 -0.331 41.0-140.1 -64.1 156.4 -1.1 7.7 4.1 5 5 A R E +A 121 0A 35 116,-0.2 85,-2.0 82,-0.2 84,-1.7 -0.967 27.7 159.2-129.1 138.7 -1.4 4.5 2.1 6 6 A T E -A 120 0A 5 114,-2.7 114,-3.0 -2,-0.4 2,-0.2 -0.727 45.7 -75.4-134.8-171.0 -2.9 3.5 -1.2 7 7 A L E -A 119 0A 2 83,-0.5 112,-0.2 -2,-0.2 111,-0.1 -0.632 23.2-146.6 -89.2 152.7 -2.5 0.7 -3.7 8 8 A K S S+ 0 0 120 110,-1.8 2,-0.3 109,-0.3 110,-0.2 0.771 80.5 15.0 -83.3 -31.1 0.5 0.3 -6.0 9 9 A N S S- 0 0 98 108,-0.8 2,-0.3 109,-0.4 -1,-0.1 -0.915 82.4 -96.7-140.6 163.1 -1.5 -1.2 -8.9 10 10 A I - 0 0 88 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.673 43.6-174.0 -79.5 137.2 -5.0 -1.8 -10.2 11 11 A I E -B 28 0B 41 17,-2.2 17,-3.0 -2,-0.3 2,-0.3 -0.974 4.8-159.2-136.4 149.7 -6.4 -5.2 -9.2 12 12 A R E +B 27 0B 159 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.932 13.2 168.3-133.7 153.7 -9.6 -7.1 -10.2 13 13 A A E -B 26 0B 19 13,-2.2 13,-3.0 -2,-0.3 2,-0.3 -0.961 18.0-142.8-152.1 164.0 -11.9 -9.9 -9.1 14 14 A T E +B 25 0B 71 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.942 31.1 132.1-128.5 154.7 -15.3 -11.2 -9.9 15 15 A G E -B 24 0B 17 9,-2.0 9,-2.9 -2,-0.3 2,-0.3 -0.924 46.2 -83.9-170.2-162.5 -18.0 -12.7 -7.7 16 16 A V E -B 23 0B 58 -2,-0.3 86,-2.9 7,-0.3 87,-0.4 -0.932 37.3-109.4-124.1 148.3 -21.7 -12.7 -6.9 17 17 A G > - 0 0 0 5,-2.0 4,-2.0 -2,-0.3 191,-0.1 -0.591 20.6-141.7 -73.3 134.9 -23.8 -10.5 -4.6 18 18 A L T 4 S+ 0 0 29 82,-0.5 190,-2.5 -2,-0.3 191,-0.8 0.937 100.3 32.7 -60.8 -48.2 -25.0 -12.3 -1.5 19 19 A H T 4 S+ 0 0 38 187,-0.2 188,-1.8 188,-0.2 187,-0.2 0.925 129.8 33.6 -75.7 -45.1 -28.4 -10.6 -1.5 20 20 A S T 4 S- 0 0 44 186,-0.2 -2,-0.2 187,-0.1 -1,-0.1 0.751 85.3-141.3 -87.6 -27.4 -28.9 -10.1 -5.3 21 21 A G < + 0 0 31 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.521 54.0 144.2 74.1 5.5 -27.2 -13.3 -6.7 22 22 A E - 0 0 102 1,-0.1 -5,-2.0 -6,-0.1 -1,-0.3 -0.594 56.2-117.3 -84.0 132.3 -26.0 -11.0 -9.5 23 23 A K E -B 16 0B 124 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.477 40.2-171.7 -64.0 135.1 -22.5 -11.5 -11.0 24 24 A V E -B 15 0B 0 -9,-2.9 -9,-2.0 -2,-0.2 2,-0.5 -0.988 22.8-138.3-137.9 140.1 -20.4 -8.4 -10.4 25 25 A Y E -B 14 0B 130 -2,-0.4 71,-1.4 -11,-0.2 2,-0.4 -0.863 22.3-161.8 -95.2 131.4 -17.0 -7.2 -11.5 26 26 A L E -BC 13 95B 1 -13,-3.0 -13,-2.2 -2,-0.5 2,-0.4 -0.945 8.7-176.9-117.3 133.6 -14.9 -5.6 -8.8 27 27 A T E -BC 12 94B 11 67,-2.2 67,-2.5 -2,-0.4 2,-0.5 -0.997 9.5-161.4-132.1 130.1 -11.9 -3.3 -9.4 28 28 A L E -BC 11 93B 0 -17,-3.0 -17,-2.2 -2,-0.4 65,-0.2 -0.946 19.2-179.4-109.5 131.3 -9.6 -1.8 -6.8 29 29 A K E - C 0 92B 53 63,-2.7 63,-2.2 -2,-0.5 -22,-0.2 -0.935 31.1-101.8-132.1 150.3 -7.5 1.3 -7.8 30 30 A P E - C 0 91B 45 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.292 39.6-165.5 -59.5 154.7 -4.9 3.6 -6.4 31 31 A A - 0 0 6 59,-0.5 59,-0.1 -24,-0.1 3,-0.1 -0.984 21.4 -97.6-144.6 153.2 -6.2 7.1 -5.3 32 32 A P > - 0 0 75 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.124 57.1 -69.5 -66.4 165.2 -4.6 10.4 -4.4 33 33 A V T 3 S+ 0 0 50 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.207 118.8 14.5 -50.5 139.8 -3.9 11.7 -0.9 34 34 A D T 3 S+ 0 0 99 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.646 91.0 115.0 65.4 18.7 -7.0 12.6 1.1 35 35 A T < - 0 0 40 -3,-1.5 2,-0.1 1,-0.2 -2,-0.1 0.874 55.4-164.4 -77.2 -39.6 -9.4 10.8 -1.3 36 36 A G - 0 0 19 -4,-0.3 55,-2.2 -5,-0.1 2,-0.5 -0.448 47.2 -39.3 77.1-165.1 -10.5 8.2 1.2 37 37 A I E -d 91 0B 10 15,-0.3 15,-3.0 53,-0.2 2,-0.4 -0.855 65.4-174.1 -95.0 126.9 -12.3 5.1 -0.2 38 38 A V E -dE 92 51B 10 53,-2.4 55,-2.9 -2,-0.5 2,-0.3 -0.985 12.4-149.5-127.1 125.2 -14.7 6.0 -3.0 39 39 A F E -dE 93 50B 0 11,-2.5 11,-3.2 -2,-0.4 2,-0.4 -0.724 11.8-164.0 -90.0 142.0 -17.1 3.5 -4.7 40 40 A S E -dE 94 49B 4 53,-3.0 55,-2.8 -2,-0.3 2,-1.2 -0.991 17.6-148.1-128.4 127.0 -18.1 3.9 -8.3 41 41 A R E > +dE 95 48B 24 7,-2.9 7,-1.2 -2,-0.4 3,-0.9 -0.776 22.4 177.4 -87.7 95.2 -21.0 2.3 -10.1 42 42 A T T 3 S+ 0 0 58 53,-1.7 54,-0.2 -2,-1.2 -1,-0.2 0.544 70.3 68.8 -81.5 -7.0 -19.4 2.1 -13.5 43 43 A D T 3 S+ 0 0 77 52,-0.8 -1,-0.2 5,-0.1 2,-0.1 0.702 87.6 84.8 -79.7 -20.8 -22.3 0.3 -15.1 44 44 A L S < S- 0 0 52 -3,-0.9 53,-0.0 4,-0.1 0, 0.0 -0.434 83.5-111.7 -86.2 156.6 -24.4 3.4 -14.8 45 45 A D S S+ 0 0 162 1,-0.2 2,-0.2 -2,-0.1 -3,-0.1 -0.920 111.7 25.7-132.7 106.1 -24.6 6.3 -17.3 46 46 A P S S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.523 110.9-114.1 -75.3 165.5 -23.4 8.6 -16.0 47 47 A V - 0 0 76 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.437 29.9-142.4 -64.2 135.4 -21.1 6.8 -13.6 48 48 A V E -E 41 0B 30 -7,-1.2 -7,-2.9 -2,-0.1 2,-0.4 -0.915 10.7-158.2-108.9 126.9 -22.2 7.5 -10.0 49 49 A E E -E 40 0B 99 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.854 7.3-173.6-103.2 136.5 -19.6 7.9 -7.2 50 50 A I E -E 39 0B 0 -11,-3.2 -11,-2.5 -2,-0.4 18,-0.1 -0.935 20.2-136.6-130.2 110.8 -20.3 7.4 -3.5 51 51 A P E -E 38 0B 49 0, 0.0 2,-2.0 0, 0.0 -13,-0.2 -0.369 25.5-117.0 -60.2 138.9 -17.7 8.2 -0.9 52 52 A A + 0 0 6 -15,-3.0 2,-0.3 14,-0.1 -15,-0.3 -0.566 67.1 134.9 -79.3 78.6 -17.4 5.5 1.8 53 53 A R > - 0 0 111 -2,-2.0 3,-2.0 196,-0.1 196,-0.2 -0.936 67.2-114.8-130.2 153.5 -18.5 7.8 4.7 54 54 A A G > S+ 0 0 2 194,-2.1 3,-1.6 -2,-0.3 218,-0.1 0.826 111.8 60.9 -54.4 -37.9 -20.9 7.4 7.6 55 55 A E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.644 99.0 58.1 -68.3 -14.7 -23.3 10.1 6.3 56 56 A N G < S+ 0 0 35 -3,-2.0 11,-3.2 192,-0.1 2,-0.4 0.341 77.4 114.6 -98.9 6.8 -23.9 8.1 3.1 57 57 A V B < -F 66 0C 15 -3,-1.6 9,-0.2 9,-0.2 2,-0.1 -0.641 52.8-153.4 -80.0 130.3 -25.2 4.9 4.8 58 58 A G - 0 0 22 7,-2.8 2,-0.7 -2,-0.4 7,-0.4 -0.275 25.5 -90.4 -92.8-178.5 -28.8 4.1 4.0 59 59 A E + 0 0 196 -2,-0.1 2,-0.3 5,-0.1 3,-0.1 -0.858 57.6 151.2-100.4 110.3 -31.4 2.2 6.0 60 60 A T - 0 0 56 -2,-0.7 205,-0.1 3,-0.2 3,-0.1 -0.959 49.2-129.6-135.3 154.5 -31.5 -1.5 5.2 61 61 A T S S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.1 204,-0.2 0.917 94.3 31.1 -67.7 -44.3 -32.4 -4.6 7.0 62 62 A M S S- 0 0 94 -3,-0.1 13,-0.2 202,-0.1 -1,-0.1 -0.927 109.4 -4.4-124.0 143.5 -29.2 -6.5 6.2 63 63 A S S S- 0 0 7 -2,-0.4 2,-0.5 11,-0.1 -3,-0.2 0.402 86.1 -70.2 62.9 159.9 -25.6 -5.3 5.5 64 64 A T - 0 0 4 -5,-0.1 12,-2.0 10,-0.1 2,-0.4 -0.758 53.5-168.2 -86.2 124.5 -24.2 -1.8 5.3 65 65 A T - 0 0 3 -2,-0.5 -7,-2.8 -7,-0.4 2,-0.4 -0.957 13.6-147.7-120.7 129.1 -25.4 -0.0 2.2 66 66 A L E -FG 57 73C 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.4 -0.772 23.6-168.8 -91.0 139.5 -24.1 3.2 0.8 67 67 A V E + G 0 72C 36 -11,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.972 26.0 175.1-132.8 144.9 -26.7 5.4 -1.0 68 68 A K E > S- G 0 71C 105 3,-2.6 3,-2.0 -2,-0.4 2,-0.3 -0.830 74.5 -52.1-142.0 106.2 -26.8 8.4 -3.3 69 69 A G T 3 S- 0 0 67 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.497 122.0 -19.9 64.2-125.0 -30.3 9.2 -4.5 70 70 A D T 3 S+ 0 0 163 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.357 119.0 98.8 -94.7 4.8 -31.7 6.0 -6.0 71 71 A V E < -G 68 0C 28 -3,-2.0 -3,-2.6 2,-0.0 2,-0.3 -0.798 52.6-177.8 -98.8 132.8 -28.3 4.5 -6.5 72 72 A K E -G 67 0C 99 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.899 27.1-159.7-128.5 155.2 -26.9 2.0 -4.0 73 73 A V E -G 66 0C 0 -7,-2.4 -7,-2.6 -2,-0.3 3,-0.3 -0.939 29.7-158.7-129.7 109.6 -23.8 -0.0 -3.2 74 74 A D B +h 99 0D 27 24,-2.8 26,-2.4 -2,-0.4 -9,-0.2 -0.558 58.2 17.9 -94.0 151.5 -24.8 -2.9 -0.9 75 75 A T + 0 0 5 -11,-0.4 4,-0.3 -2,-0.2 3,-0.3 0.934 63.5 152.4 63.6 56.0 -22.7 -5.0 1.4 76 76 A V > + 0 0 0 -12,-2.0 4,-2.5 -3,-0.3 5,-0.2 0.594 45.5 91.2 -88.9 -9.4 -19.6 -2.8 1.8 77 77 A E H > S+ 0 0 8 -13,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.792 83.6 45.5 -65.4 -37.6 -18.6 -4.0 5.2 78 78 A H H > S+ 0 0 8 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.914 115.8 46.0 -75.9 -40.9 -16.2 -7.0 4.5 79 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.929 114.7 48.7 -62.5 -44.4 -14.3 -5.1 1.8 80 80 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.853 105.8 58.0 -65.9 -32.1 -14.0 -2.0 4.1 81 81 A S H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.919 107.6 47.3 -61.6 -42.6 -12.9 -4.3 7.0 82 82 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.907 111.1 50.9 -64.7 -43.2 -10.0 -5.4 4.8 83 83 A M H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 4,-0.4 0.925 113.8 45.1 -58.4 -44.9 -9.2 -1.8 3.9 84 84 A A H ><5S+ 0 0 10 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.923 111.0 52.9 -64.5 -45.7 -9.2 -0.8 7.5 85 85 A G H 3<5S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.3 96,-0.2 0.809 114.4 41.3 -62.0 -33.1 -7.2 -3.8 8.6 86 86 A L T 3<5S- 0 0 18 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.382 113.0-118.0 -96.9 1.3 -4.4 -3.1 6.1 87 87 A G T < 5 + 0 0 1 -3,-1.0 2,-0.7 -4,-0.4 -82,-0.2 0.873 48.2 170.4 67.2 39.7 -4.5 0.7 6.7 88 88 A I < + 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -82,-0.2 -0.752 9.6 176.5 -84.5 114.4 -5.5 1.7 3.2 89 89 A D + 0 0 8 -84,-1.7 2,-0.5 -2,-0.7 -83,-0.2 0.896 64.1 34.3 -80.8 -42.7 -6.4 5.4 3.3 90 90 A N + 0 0 3 -85,-2.0 -59,-0.5 -59,-0.1 -83,-0.5 -0.957 67.4 131.8-128.9 124.7 -7.1 6.1 -0.3 91 91 A A E -Cd 30 37B 0 -55,-2.2 -53,-2.4 -2,-0.5 2,-0.4 -0.953 40.7-131.8-164.6 148.4 -8.6 3.9 -3.0 92 92 A Y E -Cd 29 38B 67 -63,-2.2 -63,-2.7 -2,-0.3 2,-0.5 -0.881 19.5-162.0 -99.4 138.0 -11.2 3.8 -5.8 93 93 A V E -Cd 28 39B 0 -55,-2.9 -53,-3.0 -2,-0.4 2,-0.4 -0.943 5.3-163.6-122.3 109.9 -13.6 0.8 -5.9 94 94 A E E -Cd 27 40B 41 -67,-2.5 -67,-2.2 -2,-0.5 2,-0.4 -0.755 7.8-175.2 -94.8 137.6 -15.4 0.2 -9.2 95 95 A L E -Cd 26 41B 0 -55,-2.8 -53,-1.7 -2,-0.4 -52,-0.8 -0.993 26.1-155.4-133.0 141.2 -18.4 -2.1 -9.3 96 96 A S S S+ 0 0 33 -71,-1.4 2,-0.3 -2,-0.4 -70,-0.1 0.359 83.8 28.3 -92.7 3.4 -20.5 -3.2 -12.3 97 97 A A S S- 0 0 3 -72,-0.3 -55,-0.1 2,-0.1 -73,-0.1 -0.934 93.6 -90.2-156.0 174.5 -23.5 -3.8 -10.1 98 98 A S S S+ 0 0 42 -2,-0.3 -24,-2.8 -25,-0.1 2,-0.3 0.206 100.4 57.2 -83.5 14.9 -25.2 -2.6 -6.9 99 99 A E B S-h 74 0D 4 -26,-0.2 -24,-0.2 -77,-0.1 -3,-0.1 -0.970 79.4-120.2-148.3 133.2 -23.5 -5.1 -4.5 100 100 A V - 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