==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-07 2P50 . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.S.HALL,F.M.RAUSHEL,S.C.ALMO . 1447 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1093 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 185 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 133 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 4 3 5 8 4 6 6 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 8 7 18 0 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 . 6 9 5 13 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 1 4 3 4 0 1 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 0 126 0, 0.0 41,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.5 19.8 97.2 21.8 2 2 A Y E -A 23 0A 14 21,-2.2 21,-3.0 39,-0.1 2,-0.4 -0.958 360.0-125.0-168.7 171.3 21.6 100.5 22.3 3 3 A A E -Ab 22 43A 0 39,-2.4 41,-2.6 -2,-0.3 2,-0.4 -0.995 12.4-133.8-138.6 134.7 25.0 102.1 22.2 4 4 A L E +Ab 21 44A 2 17,-3.0 17,-1.9 -2,-0.4 2,-0.3 -0.681 41.1 161.7 -83.3 133.1 27.1 104.0 24.7 5 5 A T E + b 0 45A 2 39,-2.5 41,-2.4 -2,-0.4 42,-0.4 -0.842 30.3 54.9-144.2 179.3 28.7 107.1 23.2 6 6 A Q S S+ 0 0 125 13,-0.4 42,-2.4 -2,-0.3 43,-0.3 0.940 88.9 70.1 58.3 60.2 30.4 110.5 23.8 7 7 A G S S- 0 0 14 12,-0.4 12,-0.4 41,-0.2 -1,-0.1 -0.899 90.3 -68.0 173.4 158.8 33.3 109.6 26.1 8 8 A R - 0 0 33 -2,-0.3 43,-3.0 9,-0.1 2,-0.5 -0.386 47.9-155.3 -62.7 133.7 36.7 107.9 26.3 9 9 A I E -Ef 16 51B 0 7,-2.3 7,-2.5 41,-0.2 2,-0.7 -0.951 8.2-159.8-117.6 130.2 36.3 104.1 25.9 10 10 A F E -E 15 0B 0 41,-3.3 5,-0.2 -2,-0.5 -2,-0.0 -0.914 8.5-178.2-109.8 109.7 38.8 101.6 27.3 11 11 A T - 0 0 13 3,-1.9 341,-2.2 -2,-0.7 -1,-0.1 0.691 57.5-100.9 -77.2 -18.6 38.6 98.2 25.6 12 12 A G S S+ 0 0 0 2,-0.5 3,-0.1 339,-0.2 324,-0.1 0.112 119.7 54.4 115.5 -17.2 41.3 96.8 27.9 13 13 A H S S- 0 0 78 1,-0.4 2,-0.3 339,-0.1 967,-0.1 0.542 118.6 -7.8-119.4 -18.2 43.9 97.1 25.2 14 14 A E - 0 0 54 315,-0.1 -3,-1.9 2,-0.0 -2,-0.5 -0.986 65.8-100.0-169.9 167.2 43.6 100.8 24.3 15 15 A F E -E 10 0B 37 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.814 34.1-162.0 -97.2 136.3 41.7 104.1 24.7 16 16 A L E -E 9 0B 24 -7,-2.5 -7,-2.3 -2,-0.4 3,-0.4 -0.981 1.7-160.1-125.1 131.8 39.3 105.1 21.9 17 17 A D S S+ 0 0 55 -2,-0.4 -9,-0.1 1,-0.2 3,-0.1 -0.830 75.4 14.6-108.3 147.1 37.9 108.6 21.4 18 18 A D S S+ 0 0 125 -2,-0.3 16,-1.7 1,-0.2 17,-0.4 0.872 101.9 123.7 59.8 37.3 34.7 109.4 19.3 19 19 A H E - C 0 33A 46 -12,-0.4 -13,-0.4 -3,-0.4 -12,-0.4 -0.715 48.1-143.9-121.8 174.0 33.8 105.7 19.5 20 20 A A E - C 0 32A 0 12,-3.5 12,-2.4 -2,-0.2 2,-0.5 -0.978 8.1-142.4-142.4 153.3 30.8 103.7 20.7 21 21 A V E -AC 4 31A 0 -17,-1.9 -17,-3.0 -2,-0.3 2,-0.6 -0.969 19.3-153.2-116.3 115.9 30.0 100.4 22.4 22 22 A V E -AC 3 30A 10 8,-2.6 7,-2.9 -2,-0.5 8,-1.3 -0.809 12.8-168.6 -94.8 122.7 26.8 98.7 21.1 23 23 A I E +AC 2 28A 1 -21,-3.0 -21,-2.2 -2,-0.6 2,-0.3 -0.896 15.5 154.1-113.2 139.9 25.1 96.5 23.6 24 24 A A E > + C 0 27A 15 3,-2.3 3,-1.4 -2,-0.4 334,-0.1 -0.928 61.5 9.3-164.4 137.9 22.3 94.0 22.9 25 25 A D T 3 S- 0 0 162 -2,-0.3 351,-0.1 1,-0.3 3,-0.1 0.842 125.8 -60.4 59.2 39.3 21.1 90.8 24.5 26 26 A G T 3 S+ 0 0 17 1,-0.2 332,-3.0 349,-0.1 350,-0.3 0.448 121.0 92.4 72.7 -1.1 23.3 91.1 27.6 27 27 A L E < S-CD 24 357A 71 -3,-1.4 -3,-2.3 330,-0.3 2,-0.7 -0.729 86.0-101.6-120.0 168.8 26.4 91.0 25.4 28 28 A I E -C 23 0A 1 328,-2.8 327,-2.7 325,-0.4 -5,-0.3 -0.838 30.0-168.0 -90.8 118.9 28.6 93.6 23.7 29 29 A K E - 0 0 126 -7,-2.9 2,-0.3 -2,-0.7 -6,-0.2 0.913 58.6 -42.9 -75.0 -44.8 27.6 93.6 20.1 30 30 A S E -C 22 0A 42 -8,-1.3 -8,-2.6 324,-0.1 2,-0.4 -0.982 41.5-120.8-174.6 169.6 30.6 95.6 18.9 31 31 A V E +C 21 0A 42 -2,-0.3 -10,-0.2 -10,-0.2 323,-0.1 -0.997 46.6 146.8-124.5 125.1 32.9 98.6 19.4 32 32 A C E -C 20 0A 13 -12,-2.4 -12,-3.5 -2,-0.4 2,-0.1 -0.975 52.5 -75.8-155.3 165.7 33.0 101.1 16.6 33 33 A P E > -C 19 0A 38 0, 0.0 3,-2.5 0, 0.0 -14,-0.3 -0.449 45.8-118.0 -67.0 138.7 33.4 104.8 15.7 34 34 A V G > S+ 0 0 55 -16,-1.7 3,-0.9 1,-0.3 -15,-0.1 0.712 113.2 68.6 -49.1 -20.1 30.3 106.8 16.6 35 35 A A G 3 S+ 0 0 90 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.816 89.8 59.0 -71.1 -32.6 30.2 107.5 12.8 36 36 A E G < S+ 0 0 146 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.168 82.6 109.4 -85.1 20.0 29.4 103.9 11.9 37 37 A L S < S- 0 0 20 -3,-0.9 -34,-0.0 -4,-0.1 -3,-0.0 -0.821 76.6-116.6-100.2 133.4 26.1 103.9 13.9 38 38 A P > - 0 0 59 0, 0.0 3,-3.4 0, 0.0 -2,-0.1 -0.548 29.2-124.7 -68.6 115.6 22.7 103.8 12.2 39 39 A P T 3 S+ 0 0 128 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.606 105.8 62.3 -32.3 -26.4 21.1 107.2 13.3 40 40 A E T 3 S+ 0 0 151 2,-0.1 2,-0.2 0, 0.0 3,-0.0 0.582 76.6 107.1 -85.4 -8.5 18.1 105.3 14.6 41 41 A I S < S- 0 0 15 -3,-3.4 2,-0.2 1,-0.1 -39,-0.1 -0.486 83.9-102.7 -72.6 137.1 19.9 103.3 17.3 42 42 A E - 0 0 102 -41,-0.4 -39,-2.4 -2,-0.2 2,-0.5 -0.421 40.4-156.5 -61.0 122.8 19.3 104.4 20.9 43 43 A Q E -b 3 0A 88 -2,-0.2 2,-0.6 -41,-0.2 -39,-0.2 -0.914 9.9-166.9-109.8 127.6 22.3 106.4 22.0 44 44 A R E -b 4 0A 70 -41,-2.6 -39,-2.5 -2,-0.5 2,-0.1 -0.958 20.3-133.4-115.7 117.5 23.2 106.8 25.6 45 45 A S E -b 5 0A 45 -2,-0.6 -39,-0.2 -41,-0.2 -38,-0.1 -0.339 10.7-155.9 -70.3 146.5 25.8 109.5 26.4 46 46 A L > - 0 0 5 -41,-2.4 3,-0.8 -40,-0.2 -40,-0.2 0.497 34.2-136.1 -94.7 -10.3 28.8 108.8 28.7 47 47 A N T 3 - 0 0 148 -42,-0.4 -40,-0.2 1,-0.3 -41,-0.1 0.816 69.2 -50.0 58.6 32.0 28.9 112.6 29.2 48 48 A G T 3 S+ 0 0 49 -42,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.706 103.9 137.4 82.3 20.7 32.6 112.5 28.9 49 49 A A < - 0 0 3 -3,-0.8 2,-0.5 -43,-0.3 -1,-0.3 -0.634 60.7-103.0 -97.8 158.4 33.3 109.7 31.4 50 50 A I E - G 0 363B 17 313,-2.9 313,-1.7 -2,-0.2 2,-0.5 -0.699 32.3-148.3 -83.7 123.7 35.7 106.8 30.9 51 51 A L E +fG 9 362B 1 -43,-3.0 -41,-3.3 -2,-0.5 311,-0.2 -0.796 26.4 165.5 -93.6 130.9 34.0 103.6 29.9 52 52 A S E - G 0 361B 0 309,-2.9 309,-2.3 -2,-0.5 -41,-0.1 -0.918 43.4 -88.9-140.9 162.8 35.6 100.4 31.1 53 53 A P E - G 0 360B 0 0, 0.0 307,-0.3 0, 0.0 299,-0.1 -0.396 66.2 -83.8 -66.4 155.3 34.9 96.7 31.5 54 54 A G - 0 0 2 305,-2.5 38,-0.2 295,-0.2 2,-0.1 -0.258 53.0-100.9 -58.7 149.2 33.3 96.0 35.0 55 55 A F E -j 92 0C 0 36,-3.1 39,-2.0 32,-0.1 38,-0.8 -0.473 30.4-148.8 -75.0 144.6 35.9 95.6 37.7 56 56 A I E -j 94 0C 0 279,-2.9 2,-0.8 37,-0.2 39,-0.2 -0.947 8.5-167.0-117.6 111.7 36.7 92.1 38.8 57 57 A D E -j 95 0C 1 37,-2.2 39,-1.7 -2,-0.6 214,-0.1 -0.864 4.7-174.0-101.9 107.0 37.6 91.6 42.5 58 58 A V E S+ 0 0 0 -2,-0.8 2,-0.3 212,-0.4 -1,-0.1 0.366 75.4 44.0 -82.1 4.1 39.1 88.1 43.1 59 59 A Q E + 0 0 3 39,-0.0 214,-2.5 156,-0.0 213,-0.7 -0.781 66.1 142.3-151.6 104.9 39.4 88.4 46.8 60 60 A L E -j 97 0C 2 36,-1.1 38,-2.7 -2,-0.3 215,-0.1 -0.947 22.2-177.6-148.8 120.9 36.5 89.9 48.8 61 61 A N - 0 0 10 213,-2.0 7,-2.0 1,-0.3 2,-0.3 0.762 69.0 -35.8 -89.1 -30.1 35.3 88.8 52.3 62 62 A G E +L 67 0D 0 212,-0.9 -1,-0.3 5,-0.2 2,-0.3 -0.958 54.8 167.2 178.4 167.6 32.3 91.1 52.6 63 63 A C E > +L 66 0D 2 3,-1.0 3,-2.0 -2,-0.3 213,-0.2 -0.941 57.0 63.1-177.1 177.9 31.0 94.6 51.9 64 64 A G T 3 S- 0 0 23 214,-2.9 215,-0.1 1,-0.3 212,-0.1 0.759 128.9 -59.6 59.6 22.8 27.6 96.5 52.0 65 65 A G T 3 S+ 0 0 30 211,-2.6 -1,-0.3 213,-0.4 2,-0.2 0.324 120.3 84.5 90.4 -9.6 27.5 95.9 55.7 66 66 A V E < -L 63 0D 38 -3,-2.0 -3,-1.0 210,-0.3 2,-0.3 -0.692 59.3-145.8-121.1 175.7 27.6 92.1 55.5 67 67 A Q E -L 62 0D 18 -5,-0.2 2,-1.4 -2,-0.2 -5,-0.2 -0.995 18.1-139.6-145.4 137.3 30.1 89.3 55.2 68 68 A F S S+ 0 0 0 -7,-2.0 2,-0.3 -2,-0.3 32,-0.1 -0.445 79.4 81.1 -89.2 58.5 30.1 85.9 53.6 69 69 A N S S+ 0 0 3 -2,-1.4 2,-1.7 30,-0.1 5,-0.2 -0.963 72.6 16.9-155.1 172.2 31.9 84.4 56.6 70 70 A D S S+ 0 0 53 30,-0.3 2,-0.1 -2,-0.3 36,-0.1 -0.436 100.1 58.8 67.5 -80.1 31.8 83.0 60.1 71 71 A T S > S- 0 0 59 -2,-1.7 4,-1.8 1,-0.1 3,-0.0 -0.424 72.3-131.4 -86.7 159.6 28.1 82.1 60.7 72 72 A A T 4 S+ 0 0 43 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.761 111.7 58.7 -74.2 -25.5 25.7 79.8 58.9 73 73 A E T 4 S+ 0 0 146 1,-0.2 -1,-0.2 3,-0.0 -3,-0.1 0.829 107.2 45.1 -72.7 -32.9 23.3 82.7 58.9 74 74 A A T 4 S+ 0 0 22 -5,-0.2 2,-1.9 1,-0.2 5,-0.3 0.884 93.9 79.3 -78.3 -41.9 25.7 84.9 57.0 75 75 A V S < S+ 0 0 0 -4,-1.8 2,-0.3 -7,-0.1 -1,-0.2 -0.500 76.4 118.3 -70.1 85.7 26.8 82.4 54.4 76 76 A S S > S- 0 0 25 -2,-1.9 4,-1.5 1,-0.1 3,-0.2 -0.959 78.3-105.7-149.3 165.4 23.7 82.8 52.2 77 77 A V H > S+ 0 0 32 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.836 116.6 56.2 -63.3 -34.5 22.5 83.9 48.8 78 78 A E H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.883 101.9 55.6 -67.0 -38.3 21.1 87.2 50.1 79 79 A T H > S+ 0 0 3 -5,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.925 109.5 47.8 -57.1 -44.6 24.5 88.1 51.5 80 80 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.806 111.1 51.4 -64.6 -31.4 25.9 87.6 48.0 81 81 A E H X S+ 0 0 55 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.894 112.9 44.2 -73.5 -40.0 23.0 89.7 46.6 82 82 A I H X S+ 0 0 62 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.912 113.5 50.8 -69.5 -43.0 23.8 92.5 49.0 83 83 A M H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.908 109.1 52.2 -61.1 -41.4 27.5 92.2 48.3 84 84 A Q H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.932 109.3 47.8 -60.4 -49.7 26.9 92.4 44.6 85 85 A K H X S+ 0 0 106 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.792 111.8 51.5 -63.9 -28.7 24.8 95.5 44.8 86 86 A A H >< S+ 0 0 7 -4,-1.7 3,-1.0 2,-0.2 4,-0.5 0.965 109.1 48.9 -72.6 -51.2 27.4 97.2 47.0 87 87 A N H ><>S+ 0 0 13 -4,-2.6 3,-2.6 1,-0.3 5,-2.1 0.902 103.7 61.6 -52.3 -46.0 30.3 96.4 44.6 88 88 A E H ><5S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -1,-0.3 0.835 95.7 59.1 -51.6 -37.0 28.3 97.7 41.6 89 89 A K T <<5S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.9 280,-0.2 0.677 109.1 47.9 -67.2 -13.7 28.2 101.2 43.3 90 90 A S T < 5S- 0 0 12 -3,-2.6 224,-0.6 -4,-0.5 -1,-0.3 0.133 124.7-102.4-110.4 16.3 32.0 100.9 43.1 91 91 A G T < 5S+ 0 0 0 -3,-1.9 -36,-3.1 1,-0.2 2,-0.8 0.555 81.6 131.4 75.4 8.0 32.2 99.8 39.5 92 92 A C E < +j 55 0C 1 -5,-2.1 -1,-0.2 -38,-0.2 -2,-0.2 -0.841 23.7 168.3 -99.2 109.6 32.8 96.2 40.4 93 93 A T E + 0 0 0 -38,-0.8 2,-0.3 -2,-0.8 -37,-0.2 0.638 64.4 36.7 -93.1 -18.0 30.5 93.9 38.5 94 94 A N E +j 56 0C 2 -39,-2.0 -37,-2.2 -7,-0.1 2,-0.3 -0.981 63.5 153.7-137.8 149.9 32.1 90.6 39.3 95 95 A Y E -jk 57 125C 0 29,-0.9 31,-1.8 -2,-0.3 32,-0.7 -0.969 40.5-113.2-161.8 173.9 33.8 89.1 42.4 96 96 A L E - 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