==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 30-NOV-10 3PS1 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI IHE3034; . AUTHOR C.-J LEE,P.ZHOU . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 18.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 1 0 1 2 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 1 1 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 . 1 1 1 4 3 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 2 1 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 58 0, 0.0 2,-0.6 0, 0.0 287,-0.3 0.000 360.0 360.0 360.0 131.3 28.8 -47.1 1.9 2 2 A I - 0 0 25 285,-2.7 125,-2.5 125,-0.1 285,-0.3 -0.683 360.0-151.3 -73.9 119.2 28.5 -43.5 0.7 3 3 A K E -A 126 0A 63 -2,-0.6 123,-0.2 123,-0.2 121,-0.1 -0.564 13.5-104.4-102.5 156.8 31.3 -43.2 -1.8 4 4 A Q E - 0 0 9 121,-2.4 119,-2.5 119,-0.4 2,-0.4 -0.364 39.4-142.4 -67.7 156.0 33.6 -40.5 -3.1 5 5 A R E +A 122 0A 19 83,-0.3 86,-2.1 117,-0.2 85,-1.8 -0.940 25.8 162.3-127.4 146.0 32.8 -39.2 -6.6 6 6 A T E -A 121 0A 3 115,-2.2 115,-2.8 -2,-0.4 2,-0.2 -0.726 45.7 -70.8-137.9-167.4 34.8 -38.0 -9.6 7 7 A L E -A 120 0A 2 84,-0.4 113,-0.2 113,-0.2 112,-0.2 -0.600 23.9-146.7 -90.5 154.5 34.1 -37.5 -13.3 8 8 A K S S+ 0 0 115 110,-1.3 2,-0.3 111,-1.1 111,-0.2 0.838 80.3 13.3 -82.3 -37.7 33.6 -40.4 -15.8 9 9 A R S S- 0 0 131 109,-1.8 2,-0.4 110,-0.3 -1,-0.2 -0.924 81.0 -97.9-139.5 159.1 35.2 -38.6 -18.7 10 10 A I + 0 0 98 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.647 45.0 177.6 -74.4 130.3 37.4 -35.6 -19.6 11 11 A V E -B 28 0B 23 17,-1.9 17,-2.6 -2,-0.4 2,-0.3 -0.902 8.8-165.7-128.5 162.2 35.3 -32.6 -20.8 12 12 A Q E -B 27 0B 131 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.985 7.1-179.9-145.5 157.7 36.2 -29.1 -21.9 13 13 A A E -B 26 0B 25 13,-2.1 13,-3.0 -2,-0.3 2,-0.4 -0.950 17.9-134.8-147.7 164.8 34.5 -25.7 -22.5 14 14 A T E +B 25 0B 62 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.952 31.1 144.5-127.6 147.6 35.6 -22.3 -23.6 15 15 A G E -B 24 0B 14 9,-2.0 9,-2.6 -2,-0.4 2,-0.1 -0.956 47.0 -83.6-173.0 158.2 34.7 -18.8 -22.3 16 16 A V E -B 23 0B 62 -2,-0.3 87,-2.0 7,-0.2 88,-0.6 -0.376 39.7-121.4 -70.7 144.4 36.0 -15.3 -21.7 17 17 A G > - 0 0 0 5,-2.0 4,-2.1 85,-0.2 5,-0.1 -0.720 14.2-136.3 -82.2 134.8 38.0 -14.5 -18.5 18 18 A L T 4 S+ 0 0 16 83,-0.5 191,-2.6 -2,-0.4 192,-0.6 0.888 102.4 37.0 -56.8 -41.5 36.4 -11.8 -16.5 19 19 A H T 4 S+ 0 0 48 188,-0.2 189,-2.1 189,-0.2 -1,-0.2 0.961 126.9 30.6 -76.1 -55.2 39.8 -10.1 -15.9 20 20 A T T 4 S- 0 0 50 187,-0.2 -2,-0.2 188,-0.2 -1,-0.1 0.749 84.7-140.5 -83.5 -26.4 41.7 -10.7 -19.2 21 21 A G < + 0 0 31 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.594 62.2 128.7 71.2 10.1 38.8 -10.6 -21.6 22 22 A K S S- 0 0 154 -5,-0.1 -5,-2.0 1,-0.1 2,-0.3 -0.628 71.2 -93.3 -97.1 156.6 40.6 -13.4 -23.4 23 23 A K E -B 16 0B 152 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.522 43.2-164.0 -69.1 124.2 39.3 -16.8 -24.5 24 24 A V E -B 15 0B 1 -9,-2.6 -9,-2.0 -2,-0.3 2,-0.6 -0.936 11.1-145.8-114.0 134.0 40.0 -19.4 -21.8 25 25 A T E -B 14 0B 42 -2,-0.4 72,-1.1 -11,-0.2 2,-0.5 -0.890 14.6-160.6-100.3 119.9 39.8 -23.2 -22.3 26 26 A L E -BC 13 96B 0 -13,-3.0 -13,-2.1 -2,-0.6 2,-0.5 -0.875 6.7-171.9-102.8 124.8 38.5 -25.1 -19.3 27 27 A T E -BC 12 95B 17 68,-2.7 68,-3.0 -2,-0.5 2,-0.5 -0.976 6.1-161.3-120.3 125.0 39.3 -28.8 -19.0 28 28 A L E -BC 11 94B 0 -17,-2.6 -17,-1.9 -2,-0.5 66,-0.2 -0.912 14.6-171.4-106.1 131.1 37.7 -31.0 -16.3 29 29 A R E - C 0 93B 78 64,-2.7 64,-2.2 -2,-0.5 -22,-0.2 -0.936 25.3-112.5-126.3 142.3 39.4 -34.3 -15.6 30 30 A P - 0 0 48 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.322 36.7-168.6 -59.5 152.1 38.6 -37.4 -13.5 31 31 A A - 0 0 13 60,-0.5 60,-0.1 -24,-0.1 3,-0.1 -0.979 21.3 -99.9-145.3 155.5 41.0 -38.0 -10.5 32 32 A P > - 0 0 84 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.136 55.8 -66.1 -74.6 171.0 41.6 -40.9 -8.1 33 33 A A T 3 S+ 0 0 33 1,-0.2 -27,-0.0 2,-0.1 91,-0.0 -0.149 113.5 7.9 -56.5 144.9 40.2 -41.3 -4.6 34 34 A N T 3 S+ 0 0 102 1,-0.1 -1,-0.2 -3,-0.1 57,-0.0 0.373 92.9 108.7 70.8 -3.0 41.3 -38.9 -1.8 35 35 A T < - 0 0 65 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.730 64.3-163.9 -79.3 -21.5 43.2 -36.5 -4.2 36 36 A G - 0 0 20 -4,-0.3 56,-2.2 -5,-0.1 2,-0.6 -0.213 35.9 -26.0 78.8-162.5 40.6 -33.8 -3.8 37 37 A V E -d 92 0B 7 54,-0.2 15,-2.6 15,-0.2 2,-0.5 -0.811 61.1-177.2 -94.8 122.2 39.9 -30.8 -5.8 38 38 A I E -dE 93 51B 25 54,-2.5 56,-3.1 -2,-0.6 2,-0.3 -0.979 12.7-159.0-124.5 121.6 42.9 -29.4 -7.7 39 39 A Y E -dE 94 50B 0 11,-2.2 11,-3.4 -2,-0.5 2,-0.4 -0.770 17.6-167.6 -92.5 144.3 42.9 -26.3 -9.8 40 40 A R E -dE 95 49B 59 54,-2.9 56,-2.3 -2,-0.3 2,-0.5 -0.992 18.4-148.9-141.9 129.3 45.7 -26.1 -12.4 41 41 A R E +dE 96 48B 30 7,-2.3 7,-1.9 -2,-0.4 56,-0.2 -0.862 15.7 175.3 -94.9 126.4 47.2 -23.4 -14.6 42 42 A T + 0 0 54 54,-2.6 55,-0.2 -2,-0.5 -1,-0.1 0.314 69.5 77.2-114.1 4.4 48.6 -24.7 -17.9 43 43 A D S S+ 0 0 62 53,-0.6 54,-0.1 55,-0.3 -1,-0.1 0.917 88.3 71.6 -71.9 -45.2 49.4 -21.3 -19.4 44 44 A L S S- 0 0 59 54,-0.1 4,-0.1 4,-0.1 54,-0.0 -0.352 94.4-116.2 -62.9 147.3 52.4 -21.4 -17.1 45 45 A N S S+ 0 0 154 1,-0.2 -3,-0.1 2,-0.1 3,-0.0 -0.945 106.3 31.7-139.3 114.7 55.1 -23.9 -18.1 46 46 A P S S- 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.511 112.9-116.2 -68.0 159.1 55.6 -26.0 -16.2 47 47 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.224 25.4-132.0 -64.7 157.1 52.0 -26.0 -15.1 48 48 A V E -E 41 0B 31 -7,-1.9 -7,-2.3 -4,-0.1 2,-0.4 -0.948 9.5-145.2-120.8 131.5 51.1 -25.1 -11.5 49 49 A D E -E 40 0B 74 -2,-0.4 -9,-0.2 -9,-0.2 46,-0.0 -0.751 9.9-171.5 -96.7 139.1 48.8 -26.9 -9.2 50 50 A F E -E 39 0B 4 -11,-3.4 -11,-2.2 -2,-0.4 2,-0.1 -0.822 13.5-153.8-127.2 89.0 46.5 -25.2 -6.6 51 51 A P E -E 38 0B 70 0, 0.0 2,-0.4 0, 0.0 -13,-0.2 -0.452 31.6-108.3 -61.2 133.2 44.9 -27.7 -4.3 52 52 A A + 0 0 15 -15,-2.6 2,-0.3 -2,-0.1 -15,-0.2 -0.526 58.5 155.7 -65.2 118.6 41.7 -26.2 -3.0 53 53 A D > - 0 0 74 -2,-0.4 3,-1.5 1,-0.1 4,-0.4 -0.990 51.3-127.7-149.8 137.7 42.5 -25.4 0.6 54 54 A A G > S+ 0 0 4 -2,-0.3 3,-1.2 1,-0.3 219,-0.1 0.871 110.5 54.9 -55.7 -38.1 40.9 -22.9 3.0 55 55 A K G 3 S+ 0 0 150 1,-0.2 -1,-0.3 194,-0.1 -3,-0.0 0.681 101.4 59.0 -71.0 -17.7 44.3 -21.5 3.9 56 56 A S G < S+ 0 0 33 -3,-1.5 11,-1.9 193,-0.1 -1,-0.2 0.482 83.1 108.5 -92.7 -2.9 45.1 -20.8 0.2 57 57 A V E < -F 66 0C 11 -3,-1.2 2,-0.3 -4,-0.4 9,-0.2 -0.461 41.9-177.1 -80.2 145.5 42.2 -18.5 -0.5 58 58 A R E -F 65 0C 111 7,-2.4 7,-2.2 -2,-0.2 2,-1.1 -0.995 25.0-133.8-136.6 136.7 42.4 -14.8 -1.0 59 59 A D - 0 0 81 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.770 32.3-170.8 -90.8 99.1 39.5 -12.4 -1.5 60 60 A T - 0 0 21 -2,-1.1 -2,-0.0 3,-0.3 5,-0.0 -0.346 40.5 -97.4 -84.6 168.2 40.6 -10.2 -4.4 61 61 A M S S+ 0 0 142 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.885 119.0 45.1 -53.8 -41.9 38.7 -7.1 -5.7 62 62 A L S S- 0 0 26 2,-0.0 14,-0.3 0, 0.0 -2,-0.2 -0.923 129.3 -55.3-104.9 113.9 37.0 -9.2 -8.3 63 63 A C S S- 0 0 19 -2,-0.6 -3,-0.3 -4,-0.1 2,-0.3 -0.244 86.8 -63.5 60.2-141.2 35.7 -12.6 -7.0 64 64 A T - 0 0 2 -5,-0.2 12,-3.0 201,-0.0 13,-0.4 -0.830 42.6-158.5-136.0 176.8 38.3 -14.7 -5.3 65 65 A C E -FG 58 75C 0 -7,-2.2 -7,-2.4 10,-0.3 2,-0.4 -0.978 14.9-129.9-151.6 162.6 41.6 -16.6 -6.0 66 66 A L E -FG 57 74C 0 8,-2.6 8,-2.0 -2,-0.3 2,-0.3 -0.903 25.2-159.7-109.7 147.1 43.9 -19.3 -4.8 67 67 A V E - G 0 73C 11 -11,-1.9 6,-0.2 -2,-0.4 2,-0.1 -0.917 4.4-146.9-124.8 155.3 47.6 -18.8 -4.3 68 68 A N > - 0 0 32 4,-1.8 3,-2.1 -2,-0.3 -18,-0.1 -0.406 48.3 -75.1-104.1-171.9 50.6 -21.1 -4.0 69 69 A E T 3 S+ 0 0 164 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.706 132.1 46.4 -57.3 -23.8 53.8 -20.8 -2.0 70 70 A H T 3 S- 0 0 135 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.188 117.9-106.0-109.6 14.9 55.2 -18.2 -4.4 71 71 A D < + 0 0 112 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.672 69.1 148.6 65.9 19.5 52.0 -16.0 -4.6 72 72 A V - 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d 0 37B 0 -56,-2.2 -54,-2.5 -2,-0.4 2,-0.5 -0.958 42.9-134.6-169.6 145.5 38.7 -33.6 -9.8 93 93 A V E -Cd 29 38B 20 -64,-2.2 -64,-2.7 -2,-0.3 2,-0.6 -0.970 21.1-165.3-110.2 127.5 41.5 -31.8 -11.7 94 94 A I E -Cd 28 39B 0 -56,-3.1 -54,-2.9 -2,-0.5 2,-0.4 -0.946 8.7-172.2-117.2 112.4 40.4 -28.5 -13.2 95 95 A E E +Cd 27 40B 23 -68,-3.0 -68,-2.7 -2,-0.6 2,-0.4 -0.855 9.4 177.7-108.7 138.8 42.8 -27.0 -15.8 96 96 A V E -Cd 26 41B 0 -56,-2.3 -54,-2.6 -2,-0.4 -53,-0.6 -0.998 29.7-141.8-133.9 141.5 42.7 -23.6 -17.5 97 97 A N S S+ 0 0 74 -72,-1.1 -56,-0.1 -2,-0.4 -71,-0.1 -0.187 86.8 53.6 -87.6 41.7 45.2 -22.3 -20.0 98 98 A A S S- 0 0 8 -2,-0.4 -55,-0.3 -73,-0.1 -56,-0.2 -0.931 98.8 -93.6-160.3 174.6 44.9 -18.9 -18.3 99 99 A P S S+ 0 0 46 0, 0.0 -24,-2.4 0, 0.0 2,-0.3 0.447 102.7 36.9 -78.6 -0.6 45.1 -17.1 -14.9 100 100 A E B S-h 75 0C 2 -26,-0.2 -24,-0.2 -24,-0.1 -3,-0.1 -0.986 81.5-105.4-151.4 155.4 41.4 -17.5 -14.3 101 101 A I - 0 0 1 -26,-2.2 -83,-0.5 -2,-0.3 -5,-0.1 -0.627 56.3 -96.6 -75.0 138.9 38.3 -19.7 -14.7 102 102 A P - 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