==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-10 3NZK . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR K.E.COLE,D.W.CHRISTIANSON . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 2 0 4 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 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 PARALLEL BRIDGES PER LADDER . 5 2 0 7 7 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 ANTIPARALLEL BRIDGES PER LADDER . 2 6 0 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 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 76 0, 0.0 2,-0.7 0, 0.0 287,-0.3 0.000 360.0 360.0 360.0 129.9 -42.1 -41.5 -2.9 2 2 A I - 0 0 15 285,-2.4 125,-2.8 125,-0.1 285,-0.3 -0.796 360.0-144.5 -82.9 117.3 -39.1 -39.3 -3.3 3 3 A K E -A 126 0A 55 -2,-0.7 123,-0.2 123,-0.2 121,-0.1 -0.490 9.1-105.2 -95.9 151.5 -37.1 -41.3 -5.9 4 4 A Q E - 0 0 9 121,-2.7 119,-3.1 119,-0.2 2,-0.4 -0.293 38.6-139.7 -61.4 152.9 -33.4 -42.0 -6.5 5 5 A R E +A 122 0A 15 83,-0.4 85,-2.0 117,-0.2 86,-1.9 -0.931 28.8 156.2-124.9 140.5 -31.9 -40.2 -9.5 6 6 A T E -A 121 0A 5 115,-2.4 115,-2.7 -2,-0.4 2,-0.2 -0.740 44.9 -77.7-139.5-168.3 -29.5 -41.2 -12.2 7 7 A L E -A 120 0A 3 84,-0.4 113,-0.2 113,-0.2 112,-0.2 -0.613 18.9-150.3 -91.4 157.3 -28.7 -40.0 -15.8 8 8 A K S S+ 0 0 79 110,-1.4 2,-0.3 111,-1.3 111,-0.2 0.796 80.8 28.9 -89.2 -37.3 -30.7 -40.9 -18.9 9 9 A R S S- 0 0 51 109,-2.3 2,-0.4 110,-0.3 -1,-0.1 -0.846 80.5-108.8-126.6 159.2 -27.7 -40.7 -21.3 10 10 A I - 0 0 93 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.708 40.0-172.5 -83.6 134.7 -24.0 -41.3 -21.4 11 11 A V E -B 28 0B 11 17,-2.1 17,-2.6 -2,-0.4 2,-0.3 -0.927 6.1-162.9-130.5 159.0 -22.1 -38.0 -21.7 12 12 A Q E +B 27 0B 131 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.993 9.8 175.7-145.9 141.6 -18.4 -37.3 -22.2 13 13 A A E -B 26 0B 18 13,-2.4 13,-3.6 -2,-0.3 2,-0.3 -0.988 15.3-148.4-143.2 150.4 -16.1 -34.3 -21.9 14 14 A T E +B 25 0B 52 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.901 34.5 125.9-118.6 149.0 -12.3 -33.9 -22.3 15 15 A G E -B 24 0B 17 9,-2.4 9,-2.3 -2,-0.3 2,-0.3 -0.840 50.8 -81.6-166.5-156.5 -10.0 -31.6 -20.5 16 16 A V E -B 23 0B 61 -2,-0.2 87,-2.9 7,-0.2 88,-0.4 -0.983 36.1-109.5-132.7 148.8 -6.8 -31.5 -18.4 17 17 A G > - 0 0 0 5,-1.8 4,-1.6 -2,-0.3 192,-0.2 -0.544 22.3-135.0 -74.0 135.5 -6.1 -32.2 -14.7 18 18 A L T 4 S+ 0 0 21 83,-0.5 191,-2.6 -2,-0.3 192,-0.5 0.911 100.8 24.1 -55.1 -47.6 -5.2 -29.2 -12.6 19 19 A H T 4 S+ 0 0 19 188,-0.3 189,-1.6 189,-0.2 -1,-0.2 0.859 129.1 40.3 -94.8 -37.3 -2.3 -30.8 -10.8 20 20 A T T 4 S- 0 0 43 187,-0.1 -2,-0.2 188,-0.1 3,-0.1 0.803 86.3-146.9 -77.4 -30.0 -1.2 -33.6 -13.2 21 21 A G < + 0 0 30 -4,-1.6 2,-0.2 1,-0.3 -3,-0.1 0.559 47.9 147.7 70.2 8.6 -1.7 -31.5 -16.3 22 22 A K - 0 0 115 1,-0.1 -5,-1.8 -6,-0.1 -1,-0.3 -0.540 55.5-113.8 -81.9 139.7 -2.6 -34.7 -18.0 23 23 A K E +B 16 0B 153 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.496 46.2 177.0 -66.3 135.8 -5.2 -34.9 -20.9 24 24 A V E -B 15 0B 1 -9,-2.3 -9,-2.4 -2,-0.2 2,-0.5 -0.999 27.9-143.4-148.6 142.1 -8.2 -36.8 -19.6 25 25 A T E -B 14 0B 27 -2,-0.3 72,-1.0 -11,-0.2 2,-0.5 -0.942 15.8-154.3-108.0 127.3 -11.6 -37.8 -20.9 26 26 A L E -BC 13 96B 1 -13,-3.6 -13,-2.4 -2,-0.5 2,-0.4 -0.882 12.0-175.1-100.1 127.9 -14.5 -37.9 -18.4 27 27 A T E -BC 12 95B 11 68,-2.8 68,-3.4 -2,-0.5 2,-0.5 -0.992 5.9-164.4-125.5 126.9 -17.4 -40.2 -19.1 28 28 A M E -BC 11 94B 2 -17,-2.6 -17,-2.1 -2,-0.4 66,-0.2 -0.951 10.7-171.5-115.5 129.8 -20.5 -40.3 -17.0 29 29 A R E - C 0 93B 90 64,-2.8 64,-2.3 -2,-0.5 -19,-0.1 -0.895 26.0-109.2-122.6 144.0 -22.9 -43.2 -17.3 30 30 A P - 0 0 46 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.253 37.5-168.6 -58.9 156.7 -26.4 -44.0 -15.9 31 31 A A - 0 0 9 60,-0.5 60,-0.1 -24,-0.2 3,-0.1 -0.984 22.6 -96.0-147.9 155.1 -26.5 -46.7 -13.2 32 32 A P > - 0 0 94 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.131 54.6 -75.2 -65.5 159.7 -29.3 -48.7 -11.5 33 33 A A T 3 S+ 0 0 29 1,-0.2 93,-0.0 2,-0.1 -27,-0.0 -0.187 118.2 21.9 -52.9 148.0 -31.0 -47.9 -8.2 34 34 A N T 3 S+ 0 0 123 -3,-0.1 -1,-0.2 1,-0.1 57,-0.0 0.623 91.0 111.1 64.2 16.4 -28.9 -48.6 -5.1 35 35 A T < - 0 0 54 -3,-1.4 -2,-0.1 1,-0.1 2,-0.1 0.898 60.3-162.5 -79.1 -46.9 -25.7 -48.5 -7.1 36 36 A G - 0 0 25 -4,-0.3 56,-2.0 -5,-0.1 2,-0.6 -0.425 38.1 -40.5 90.4-173.0 -24.3 -45.3 -5.6 37 37 A V E -d 92 0B 6 54,-0.2 15,-1.7 15,-0.2 2,-0.4 -0.836 61.9-177.9 -94.2 123.1 -21.6 -43.0 -6.9 38 38 A I E -dE 93 51B 29 54,-2.5 56,-3.4 -2,-0.6 2,-0.4 -0.988 12.7-159.9-126.4 131.8 -18.7 -45.0 -8.4 39 39 A Y E -dE 94 50B 0 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.878 15.1-166.6-107.1 142.9 -15.5 -43.5 -9.9 40 40 A R E -dE 95 49B 71 54,-2.6 56,-2.8 -2,-0.4 2,-0.8 -0.989 24.4-146.2-138.3 130.8 -13.4 -45.6 -12.3 41 41 A R E +dE 96 48B 19 7,-2.8 7,-1.7 -2,-0.4 3,-0.3 -0.857 23.0 177.9 -86.3 110.9 -9.9 -45.5 -13.7 42 42 A T + 0 0 54 54,-2.0 55,-0.2 -2,-0.8 -1,-0.1 0.438 67.4 72.8 -98.5 -2.5 -10.5 -47.0 -17.2 43 43 A D S S+ 0 0 72 53,-0.5 2,-0.3 5,-0.1 -1,-0.2 0.600 86.4 79.9 -82.6 -14.8 -6.9 -46.6 -18.5 44 44 A L S S- 0 0 55 -3,-0.3 4,-0.0 4,-0.1 54,-0.0 -0.666 86.6-110.4 -93.7 149.2 -5.7 -49.4 -16.2 45 45 A N S S+ 0 0 162 -2,-0.3 -3,-0.1 1,-0.2 3,-0.0 -0.953 113.4 25.1-124.3 110.9 -6.1 -53.2 -16.9 46 46 A P S S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.595 110.6-120.7 -77.2 163.7 -8.0 -54.2 -15.1 47 47 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.262 23.8-130.3 -63.0 156.4 -9.9 -51.0 -14.4 48 48 A V E -E 41 0B 28 -7,-1.7 -7,-2.8 -3,-0.0 2,-0.3 -0.960 16.8-155.8-120.0 126.7 -10.0 -49.7 -10.8 49 49 A D E -E 40 0B 84 -2,-0.5 -9,-0.2 -9,-0.2 46,-0.0 -0.707 6.7-170.2 -99.1 147.9 -13.2 -48.7 -9.0 50 50 A F E -E 39 0B 3 -11,-2.8 -11,-2.4 -2,-0.3 2,-0.3 -0.985 15.2-138.8-129.7 142.5 -13.6 -46.3 -6.1 51 51 A P E -E 38 0B 68 0, 0.0 2,-1.6 0, 0.0 -13,-0.2 -0.684 30.1-104.1 -93.4 160.6 -16.8 -45.7 -4.1 52 52 A A S S+ 0 0 15 -15,-1.7 2,-0.4 -2,-0.3 -15,-0.2 -0.696 72.2 140.0 -74.8 93.1 -18.0 -42.4 -2.8 53 53 A D > - 0 0 72 -2,-1.6 3,-2.2 1,-0.1 197,-0.2 -0.993 60.8-131.4-141.6 135.2 -17.0 -43.1 0.7 54 54 A A G > S+ 0 0 1 -2,-0.4 3,-1.3 1,-0.3 219,-0.1 0.819 106.3 61.2 -53.5 -31.9 -15.4 -40.7 3.2 55 55 A K G 3 S+ 0 0 164 1,-0.3 -1,-0.3 194,-0.1 -3,-0.0 0.573 91.9 64.4 -78.0 -7.0 -12.7 -43.3 3.9 56 56 A S G < S+ 0 0 24 -3,-2.2 11,-2.1 193,-0.2 2,-0.5 0.316 76.5 111.5 -96.2 8.3 -11.4 -43.5 0.4 57 57 A V B < S-F 66 0C 20 -3,-1.3 9,-0.2 9,-0.2 7,-0.1 -0.725 72.1-118.5 -87.2 126.7 -10.2 -39.8 0.5 58 58 A R - 0 0 50 7,-3.6 2,-1.6 -2,-0.5 7,-0.3 -0.267 27.9-105.4 -63.5 145.5 -6.4 -39.4 0.5 59 59 A D S S+ 0 0 156 5,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.555 80.1 103.9 -74.7 90.9 -4.7 -37.7 3.5 60 60 A T - 0 0 33 -2,-1.6 5,-0.1 3,-0.2 3,-0.0 -0.975 63.9-142.3-161.6 155.0 -3.9 -34.3 2.0 61 61 A M S S+ 0 0 128 -2,-0.3 204,-0.5 204,-0.1 205,-0.1 0.496 85.9 86.0 -93.0 -7.1 -5.2 -30.7 2.1 62 62 A L S S- 0 0 43 1,-0.1 2,-0.3 202,-0.1 -1,-0.1 0.941 106.2 -41.4 -63.7 -51.0 -4.5 -30.1 -1.6 63 63 A C S S- 0 0 1 -5,-0.1 2,-0.8 201,-0.0 -3,-0.2 -0.874 71.0 -75.0-159.9-177.6 -7.7 -31.5 -3.1 64 64 A T + 0 0 2 -2,-0.3 13,-2.3 -3,-0.1 2,-0.4 -0.885 57.8 177.6 -98.1 111.2 -10.2 -34.3 -2.5 65 65 A C - 0 0 0 -2,-0.8 -7,-3.6 -7,-0.3 2,-0.3 -0.953 24.2-138.1-124.3 129.5 -8.4 -37.3 -4.0 66 66 A L E +FG 57 74C 0 8,-2.8 8,-1.9 -2,-0.4 2,-0.3 -0.637 29.5 172.7 -85.2 144.1 -9.6 -40.9 -4.1 67 67 A V E - G 0 73C 31 -11,-2.1 2,-0.2 -2,-0.3 6,-0.2 -0.993 16.2-153.7-151.2 148.0 -7.0 -43.6 -3.3 68 68 A N > - 0 0 46 4,-1.4 3,-2.3 -2,-0.3 -18,-0.0 -0.606 44.4 -84.2-116.2-177.4 -7.0 -47.3 -2.8 69 69 A E T 3 S+ 0 0 176 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.709 128.9 51.8 -60.6 -20.9 -4.7 -49.7 -0.9 70 70 A H T 3 S- 0 0 137 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.352 117.1-112.2 -98.8 5.2 -2.4 -49.9 -3.9 71 71 A D < + 0 0 99 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.732 63.1 152.0 70.3 24.1 -2.1 -46.1 -4.2 72 72 A V - 0 0 31 2,-0.0 -4,-1.4 -31,-0.0 2,-0.3 -0.698 30.8-157.8 -77.9 140.5 -4.0 -45.8 -7.4 73 73 A R E -G 67 0C 90 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.852 35.7-166.6-125.9 155.1 -5.6 -42.3 -7.5 74 74 A I E -G 66 0C 0 -8,-1.9 -8,-2.8 -2,-0.3 3,-0.3 -0.886 35.1-157.1-132.9 108.0 -8.4 -40.2 -8.9 75 75 A S B +h 100 0D 10 24,-2.6 26,-2.6 -2,-0.3 -10,-0.2 -0.503 55.2 15.7 -91.4 151.1 -7.5 -36.6 -8.0 76 76 A T + 0 0 6 24,-0.2 4,-0.3 -2,-0.2 3,-0.3 0.914 61.4 151.3 66.4 54.7 -9.6 -33.5 -7.7 77 77 A V > + 0 0 0 -13,-2.3 4,-2.7 -3,-0.3 5,-0.2 0.560 44.3 95.6 -90.3 -6.4 -13.1 -34.9 -7.5 78 78 A E H > S+ 0 0 8 -14,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.795 82.8 45.8 -59.7 -38.5 -14.6 -32.0 -5.4 79 79 A H H > S+ 0 0 6 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.910 115.5 45.5 -76.9 -40.2 -16.0 -29.8 -8.1 80 80 A L H > S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.918 112.3 54.1 -63.3 -43.3 -17.7 -32.7 -10.0 81 81 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.856 103.8 55.1 -58.4 -37.9 -19.0 -34.0 -6.6 82 82 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.911 106.8 50.1 -64.4 -40.1 -20.5 -30.6 -5.9 83 83 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.898 111.0 49.5 -62.9 -38.6 -22.5 -30.7 -9.2 84 84 A L H X>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.5 0.921 113.1 46.3 -66.4 -44.0 -23.7 -34.2 -8.3 85 85 A A H ><5S+ 0 0 4 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.916 110.3 54.9 -62.5 -43.8 -24.8 -33.1 -4.8 86 86 A G H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.831 114.0 38.5 -61.4 -36.3 -26.5 -30.1 -6.3 87 87 A L H 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.371 111.4-118.7 -95.2 2.4 -28.6 -32.1 -8.7 88 88 A G T <<5 + 0 0 0 -3,-0.9 -83,-0.4 -4,-0.5 2,-0.3 0.802 45.1 177.0 69.3 31.9 -29.3 -34.8 -6.2 89 89 A I < + 0 0 0 -5,-2.3 -1,-0.2 -6,-0.2 -83,-0.2 -0.541 10.7 173.4 -72.9 126.6 -27.7 -37.6 -8.3 90 90 A D + 0 0 11 -85,-2.0 2,-0.4 -2,-0.3 -84,-0.2 0.770 64.7 36.4-100.4 -37.0 -27.7 -40.9 -6.3 91 91 A N + 0 0 2 -86,-1.9 -60,-0.5 -60,-0.1 -84,-0.4 -0.983 69.9 131.6-131.6 121.9 -26.4 -43.4 -8.8 92 92 A I E - d 0 37B 0 -56,-2.0 -54,-2.5 -2,-0.4 2,-0.6 -0.954 43.2-135.6-167.2 143.5 -23.8 -42.8 -11.5 93 93 A I E -Cd 29 38B 35 -64,-2.3 -64,-2.8 -2,-0.3 2,-0.6 -0.947 22.1-166.2-103.8 122.2 -20.6 -44.3 -12.9 94 94 A I E -Cd 28 39B 0 -56,-3.4 -54,-2.6 -2,-0.6 2,-0.4 -0.958 8.4-169.5-110.2 116.2 -17.9 -41.6 -13.4 95 95 A E E +Cd 27 40B 28 -68,-3.4 -68,-2.8 -2,-0.6 2,-0.4 -0.883 9.9 177.7-109.9 134.9 -15.0 -42.8 -15.6 96 96 A V E -Cd 26 41B 0 -56,-2.8 -54,-2.0 -2,-0.4 -53,-0.5 -0.994 23.5-152.2-131.3 144.1 -11.7 -41.1 -16.2 97 97 A N S S+ 0 0 68 -72,-1.0 -56,-0.1 -2,-0.4 -71,-0.1 -0.014 82.4 44.8-101.8 28.8 -8.8 -42.4 -18.3 98 98 A A S S- 0 0 6 -73,-0.1 -56,-0.1 2,-0.1 -74,-0.1 -0.946 99.2 -91.9-160.0 166.8 -6.2 -40.6 -16.3 99 99 A P S S+ 0 0 26 0, 0.0 -24,-2.6 0, 0.0 2,-0.3 0.195 100.9 50.5 -77.3 19.7 -5.4 -40.0 -12.5 100 100 A E B S-h 75 0D 1 -26,-0.3 -24,-0.2 -78,-0.1 -3,-0.1 -0.991 79.5-115.4-156.5 143.2 -7.4 -36.7 -12.2 101 101 A V - 0 0 1 -26,-2.6 -83,-0.5 -2,-0.3 -5,-0.1 -0.556 52.4 -98.6 -71.9 140.1 -10.9 -35.3 -13.0 102 102 A P - 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