==== 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 4FW4 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.N.KANG,J.A.STUCKEY . 1204 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50262.0 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 . 228 18.9 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 . 1 0.1 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 . 77 6.4 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 . 206 17.1 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+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 . 8 1 3 17 13 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 0 A A 0 0 110 0, 0.0 289,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 77.6 -4.5 8.1 11.7 2 1 A M - 0 0 56 287,-0.2 2,-0.8 288,-0.1 286,-0.2 -0.493 360.0-106.5 -80.2 153.0 -1.3 7.0 13.6 3 2 A I - 0 0 21 284,-2.7 124,-3.1 -2,-0.1 284,-0.4 -0.746 49.8-160.5 -80.7 112.9 -1.1 3.7 15.4 4 3 A K E -A 126 0A 53 -2,-0.8 122,-0.2 122,-0.3 120,-0.1 -0.596 20.0-100.4 -97.1 158.9 -1.3 5.0 19.0 5 4 A Q E - 0 0 5 120,-2.5 118,-3.5 -2,-0.2 2,-0.4 -0.431 42.1-146.7 -71.1 149.4 -0.4 3.4 22.4 6 5 A R E +A 122 0A 15 82,-0.4 85,-2.2 116,-0.2 84,-1.9 -0.948 24.2 164.9-126.3 149.5 -3.3 2.0 24.3 7 6 A T E -A 121 0A 6 114,-2.1 114,-2.5 -2,-0.4 2,-0.2 -0.660 48.2 -68.4-134.8-170.6 -4.2 1.6 27.9 8 7 A L E -A 120 0A 4 83,-0.4 112,-0.3 112,-0.2 24,-0.1 -0.598 26.8-146.7 -86.2 149.9 -7.5 0.8 29.8 9 8 A K S S+ 0 0 120 110,-2.7 2,-0.3 -2,-0.2 111,-0.1 0.798 82.6 12.1 -81.8 -34.4 -10.4 3.2 29.8 10 9 A N S S- 0 0 87 109,-0.5 -1,-0.2 105,-0.2 2,-0.2 -0.945 84.9 -96.0-138.8 162.9 -11.5 2.2 33.3 11 10 A I - 0 0 77 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.517 41.8-169.2 -73.6 142.6 -10.3 0.2 36.3 12 11 A I E -B 29 0B 37 17,-2.0 17,-2.8 -2,-0.2 2,-0.3 -0.998 4.6-154.9-140.6 142.9 -11.6 -3.4 36.3 13 12 A R E +B 28 0B 111 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.813 11.6 176.6-116.5 153.1 -11.4 -6.0 39.0 14 13 A A E -B 27 0B 13 13,-2.2 13,-3.5 -2,-0.3 2,-0.4 -0.984 15.1-147.2-153.4 152.5 -11.5 -9.8 39.2 15 14 A T E +B 26 0B 78 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.942 34.5 124.2-121.7 144.6 -11.2 -12.6 41.7 16 15 A G E -B 25 0B 16 9,-2.0 9,-2.7 -2,-0.4 2,-0.3 -0.880 48.8 -88.6-168.2-161.7 -9.7 -16.0 41.3 17 16 A V E -B 24 0B 56 7,-0.3 86,-3.0 -2,-0.3 87,-0.4 -0.964 36.5-109.2-131.2 145.6 -7.2 -18.6 42.5 18 17 A G B > -F 102 0C 0 5,-1.9 4,-1.8 -2,-0.3 191,-0.2 -0.589 24.1-136.8 -72.9 131.9 -3.5 -19.2 41.6 19 18 A L T 4 S+ 0 0 21 82,-0.5 190,-2.4 -2,-0.3 191,-0.8 0.909 101.0 27.0 -55.1 -46.7 -3.1 -22.4 39.6 20 19 A H T 4 S+ 0 0 21 187,-0.3 188,-1.8 188,-0.2 -1,-0.2 0.879 128.1 39.7 -89.0 -40.9 -0.0 -23.5 41.5 21 20 A S T 4 S- 0 0 31 186,-0.1 -2,-0.2 187,-0.1 -1,-0.1 0.733 86.2-144.7 -80.1 -28.0 -0.4 -21.8 44.9 22 21 A G < + 0 0 33 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.518 50.5 144.1 71.6 8.8 -4.2 -22.4 45.3 23 22 A E - 0 0 98 1,-0.1 -5,-1.9 -6,-0.0 -1,-0.2 -0.604 57.1-113.5 -85.1 139.8 -4.4 -19.0 47.0 24 23 A K E -B 17 0B 90 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.429 41.9-171.9 -66.9 136.6 -7.3 -16.7 46.6 25 24 A V E -B 16 0B 1 -9,-2.7 -9,-2.0 -2,-0.1 2,-0.5 -1.000 22.7-144.3-140.1 139.4 -6.2 -13.5 44.7 26 25 A Y E -B 15 0B 72 -2,-0.4 71,-1.8 -11,-0.2 2,-0.4 -0.898 20.6-160.0-100.4 127.3 -7.8 -10.2 43.8 27 26 A L E -BC 14 96B 2 -13,-3.5 -13,-2.2 -2,-0.5 2,-0.4 -0.906 8.6-174.5-108.4 135.9 -6.7 -8.8 40.4 28 27 A T E -BC 13 95B 15 67,-2.2 67,-3.2 -2,-0.4 2,-0.5 -0.997 8.6-161.7-132.5 126.6 -7.0 -5.1 39.5 29 28 A L E -BC 12 94B 2 -17,-2.8 -17,-2.0 -2,-0.4 65,-0.2 -0.940 19.7-178.3-103.5 123.7 -6.2 -3.7 36.0 30 29 A K E - C 0 93B 66 63,-2.7 63,-2.5 -2,-0.5 -22,-0.1 -0.957 30.7-101.1-125.1 150.9 -5.6 0.0 36.0 31 30 A P - 0 0 51 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.260 40.2-165.3 -61.9 152.2 -4.9 2.7 33.3 32 31 A A - 0 0 6 59,-0.5 59,-0.1 -24,-0.1 3,-0.1 -0.985 20.3 -99.4-140.4 151.3 -1.2 3.7 33.0 33 32 A P > - 0 0 77 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.052 57.0 -67.2 -63.8 171.1 0.6 6.6 31.3 34 33 A V T 3 S+ 0 0 51 1,-0.2 -27,-0.0 2,-0.1 57,-0.0 -0.232 118.2 11.7 -55.5 140.5 2.5 6.5 28.0 35 34 A D T 3 S+ 0 0 94 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.593 89.4 117.2 61.0 22.3 5.7 4.3 27.9 36 35 A T < - 0 0 40 -3,-1.4 -2,-0.1 1,-0.1 55,-0.1 0.831 57.5-160.8 -80.0 -34.2 4.9 2.6 31.3 37 36 A G - 0 0 19 -4,-0.3 55,-1.9 -5,-0.1 2,-0.6 -0.308 46.5 -39.1 78.3-168.7 4.6 -0.8 29.7 38 37 A I E -d 92 0B 11 15,-0.3 15,-3.4 53,-0.2 2,-0.5 -0.828 68.2-171.0 -88.6 123.1 2.8 -3.6 31.6 39 38 A V E -dE 93 52B 8 53,-2.5 55,-3.1 -2,-0.6 2,-0.3 -0.980 12.1-149.7-121.9 122.2 3.7 -3.2 35.3 40 39 A F E -dE 94 51B 0 11,-2.6 11,-3.5 -2,-0.5 2,-0.4 -0.699 15.2-163.4 -86.9 141.3 2.8 -5.9 37.9 41 40 A S E -dE 95 50B 2 53,-3.0 55,-2.6 -2,-0.3 2,-1.2 -0.990 18.4-148.2-133.3 125.3 2.2 -4.6 41.5 42 41 A R E > +dE 96 49B 24 7,-2.5 3,-1.1 -2,-0.4 7,-1.0 -0.744 21.9 175.4 -90.4 89.6 2.1 -6.6 44.8 43 42 A T T 3 S+ 0 0 55 53,-1.2 54,-0.2 -2,-1.2 -1,-0.2 0.567 70.7 69.7 -75.1 -10.1 -0.4 -4.4 46.7 44 43 A D T 3 S+ 0 0 62 52,-0.8 -1,-0.2 -3,-0.1 2,-0.2 0.665 89.3 79.1 -78.1 -18.7 -0.5 -6.9 49.7 45 44 A L S < S- 0 0 54 -3,-1.1 4,-0.0 4,-0.1 53,-0.0 -0.575 85.4-114.5 -90.8 154.5 3.1 -5.9 50.6 46 45 A D S S+ 0 0 143 -2,-0.2 2,-0.2 2,-0.1 -3,-0.0 -0.965 108.0 31.4-129.8 108.3 4.2 -2.7 52.5 47 46 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.564 110.0-114.1 -71.6 165.6 5.8 -0.8 50.6 48 47 A V - 0 0 78 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.549 28.3-143.5 -69.9 130.2 4.1 -1.8 47.4 49 48 A V E -E 42 0B 31 -7,-1.0 -7,-2.5 -2,-0.3 2,-0.3 -0.906 11.3-158.6-103.7 121.7 6.6 -3.6 45.1 50 49 A E E -E 41 0B 96 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.787 7.0-171.7 -98.5 139.7 6.3 -2.9 41.3 51 50 A I E -E 40 0B 0 -11,-3.5 -11,-2.6 -2,-0.3 18,-0.1 -0.888 19.0-137.1-133.9 106.2 7.7 -5.3 38.7 52 51 A P E -E 39 0B 48 0, 0.0 2,-2.1 0, 0.0 -13,-0.3 -0.306 25.3-118.1 -58.7 139.4 7.8 -4.3 35.0 53 52 A A + 0 0 6 -15,-3.4 2,-0.3 14,-0.1 -15,-0.3 -0.534 68.4 133.7 -81.0 74.0 6.7 -7.2 32.7 54 53 A R S > S- 0 0 108 -2,-2.1 3,-2.4 196,-0.1 196,-0.2 -0.932 70.7-113.9-127.3 151.0 10.1 -7.3 31.0 55 54 A A G > S+ 0 0 4 194,-2.0 3,-1.7 -2,-0.3 195,-0.1 0.821 113.5 63.8 -48.4 -40.4 12.5 -10.2 30.0 56 55 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.576 101.4 50.5 -63.8 -14.3 15.1 -8.8 32.4 57 56 A N G < S+ 0 0 31 -3,-2.4 11,-3.6 192,-0.1 2,-0.3 0.266 78.7 124.3-108.4 10.5 12.8 -9.5 35.4 58 57 A V B < +G 67 0D 13 -3,-1.7 9,-0.3 9,-0.2 3,-0.1 -0.580 32.9 172.5 -74.9 128.3 11.9 -13.1 34.5 59 58 A G + 0 0 29 7,-3.1 -1,-0.1 1,-0.3 2,-0.1 0.423 53.2 8.7-100.4-123.0 12.8 -15.5 37.4 60 59 A E - 0 0 101 1,-0.1 6,-1.1 5,-0.1 -1,-0.3 -0.395 54.6-177.9 -66.3 133.1 11.9 -19.2 37.6 61 60 A T + 0 0 30 4,-0.2 205,-0.6 -3,-0.1 4,-0.1 -0.295 47.2 108.3-127.4 45.6 10.5 -20.6 34.2 62 61 A T S S- 0 0 101 2,-0.3 203,-0.2 203,-0.1 204,-0.2 0.943 97.6 -1.1 -85.3 -74.0 9.8 -24.2 35.2 63 62 A M S S- 0 0 75 1,-0.2 2,-0.3 202,-0.1 202,-0.1 0.885 136.3 -2.6 -84.7 -47.5 5.9 -24.5 35.3 64 63 A S S S- 0 0 5 -4,-0.1 2,-0.5 200,-0.1 -2,-0.3 -0.844 85.2 -82.7-138.2 172.8 4.9 -20.9 34.5 65 64 A T - 0 0 2 -2,-0.3 12,-1.8 -4,-0.1 11,-0.7 -0.760 46.1-166.9 -85.5 125.9 6.5 -17.6 33.8 66 65 A T E - H 0 75D 3 -6,-1.1 -7,-3.1 -2,-0.5 2,-0.4 -0.949 12.1-148.9-115.6 135.5 7.5 -15.7 37.0 67 66 A L E -GH 58 74D 0 7,-2.7 7,-2.2 -2,-0.4 2,-0.3 -0.845 21.9-170.8 -99.9 137.0 8.5 -12.1 37.3 68 67 A V E + H 0 73D 39 -11,-3.6 2,-0.3 -2,-0.4 5,-0.2 -0.961 23.2 176.3-133.2 147.7 10.9 -11.3 40.1 69 68 A K E > S- H 0 72D 117 3,-2.0 3,-1.7 -2,-0.3 2,-0.4 -0.847 78.0 -41.1-147.9 102.4 12.4 -8.2 41.8 70 69 A G T 3 S- 0 0 66 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.608 122.2 -32.3 75.8-120.0 14.6 -9.0 44.7 71 70 A D T 3 S+ 0 0 165 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.267 115.1 106.0-113.5 9.0 12.8 -11.8 46.6 72 71 A V E < -H 69 0D 32 -3,-1.7 -3,-2.0 2,-0.0 2,-0.3 -0.759 54.4-166.5 -88.8 133.4 9.3 -10.6 45.7 73 72 A K E -H 68 0D 103 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.876 26.7-163.9-125.0 154.3 7.6 -12.7 43.0 74 73 A V E -H 67 0D 0 -7,-2.2 -7,-2.7 -2,-0.3 3,-0.3 -0.958 28.0-155.7-130.8 107.9 4.6 -12.6 40.7 75 74 A D E +Hi 66 100D 36 24,-3.7 26,-2.4 -2,-0.4 -9,-0.2 -0.657 58.8 11.9 -92.5 149.9 3.8 -16.1 39.3 76 75 A T + 0 0 5 -11,-0.7 4,-0.3 -2,-0.3 3,-0.2 0.946 64.0 153.7 58.4 61.8 2.0 -17.3 36.1 77 76 A V > + 0 0 0 -12,-1.8 4,-2.5 -3,-0.3 5,-0.2 0.573 45.8 90.6 -89.9 -14.3 1.8 -14.0 34.1 78 77 A E H > S+ 0 0 6 -13,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.796 83.2 48.9 -59.1 -39.6 1.7 -15.5 30.6 79 78 A H H > S+ 0 0 8 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 116.4 43.8 -72.1 -37.2 -2.1 -15.9 30.1 80 79 A L H > S+ 0 0 0 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.912 114.9 48.7 -69.2 -44.0 -2.8 -12.3 31.2 81 80 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.849 108.0 56.0 -63.9 -33.6 0.1 -11.0 29.1 82 81 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.901 107.6 48.2 -64.2 -39.9 -1.2 -13.0 26.2 83 82 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.897 111.7 49.6 -65.3 -41.8 -4.6 -11.1 26.5 84 83 A M H <>S+ 0 0 1 -4,-2.0 5,-2.8 2,-0.2 4,-0.4 0.902 113.2 46.1 -65.9 -41.0 -2.8 -7.7 26.7 85 84 A A H ><5S+ 0 0 15 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.910 110.9 53.4 -65.7 -43.7 -0.7 -8.5 23.6 86 85 A G H 3<5S+ 0 0 21 -4,-2.4 96,-0.2 1,-0.2 -1,-0.2 0.766 115.1 39.6 -61.4 -30.5 -3.8 -9.8 21.7 87 86 A L T 3<5S- 0 0 3 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.323 114.0-113.8-102.7 4.0 -5.8 -6.6 22.4 88 87 A G T < 5 + 0 0 0 -3,-0.9 2,-0.7 -4,-0.4 -82,-0.4 0.785 51.4 168.5 70.9 32.4 -2.8 -4.2 21.9 89 88 A I < + 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -82,-0.2 -0.680 8.1 172.1 -82.0 113.9 -2.5 -2.9 25.4 90 89 A D + 0 0 7 -84,-1.9 2,-0.4 -2,-0.7 -83,-0.2 0.861 64.0 33.5 -86.0 -42.1 0.8 -1.1 25.7 91 90 A N + 0 0 2 -85,-2.2 -59,-0.5 -59,-0.1 -83,-0.4 -0.972 67.8 131.7-126.8 132.6 0.4 0.4 29.2 92 91 A A E - d 0 38B 0 -55,-1.9 -53,-2.5 -2,-0.4 2,-0.5 -0.922 43.4-129.1-171.4 147.7 -1.3 -0.9 32.3 93 92 A Y E -Cd 30 39B 62 -63,-2.5 -63,-2.7 -2,-0.3 2,-0.6 -0.911 21.4-160.5-100.8 126.7 -0.8 -1.4 36.1 94 93 A V E -Cd 29 40B 0 -55,-3.1 -53,-3.0 -2,-0.5 2,-0.3 -0.938 9.7-164.3-108.5 105.5 -1.7 -5.0 37.1 95 94 A E E -Cd 28 41B 36 -67,-3.2 -67,-2.2 -2,-0.6 2,-0.4 -0.726 6.2-173.1 -92.5 141.4 -2.3 -5.0 40.9 96 95 A L E -Cd 27 42B 0 -55,-2.6 -53,-1.2 -2,-0.3 -52,-0.8 -0.998 26.9-156.1-135.7 133.9 -2.4 -8.4 42.8 97 96 A S S S+ 0 0 37 -71,-1.8 2,-0.3 -2,-0.4 -70,-0.1 0.444 86.5 28.9 -82.3 -3.7 -3.3 -9.2 46.4 98 97 A A S S- 0 0 7 -72,-0.3 -55,-0.1 2,-0.1 -73,-0.1 -0.931 93.0 -94.6-148.8 171.5 -1.0 -12.3 46.2 99 98 A S S S+ 0 0 27 -2,-0.3 -24,-3.7 -25,-0.1 2,-0.4 0.580 100.1 63.8 -66.8 -13.7 2.1 -13.7 44.5 100 99 A E B S-i 75 0D 2 -26,-0.2 -24,-0.2 -76,-0.1 -2,-0.1 -0.955 78.7-124.6-124.9 137.9 0.1 -15.5 41.7 101 100 A V - 0 0 3 -26,-2.4 -82,-0.5 -2,-0.4 -84,-0.1 -0.428 46.9 -98.5 -65.6 138.2 -2.2 -14.2 38.8 102 101 A P B -F 18 0C 2 0, 0.0 -84,-0.3 0, 0.0 -1,-0.1 -0.387 22.3-143.1 -63.3 140.6 -5.6 -16.0 39.0 103 102 A I > - 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