==== 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 2P53 . 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 . 764 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 13.1 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 . 78 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 1 3 4 2 2 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 3 9 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 PARALLEL BRIDGES PER LADDER . 5 4 2 10 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 4 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 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,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.7 -51.9 -23.5 -14.6 2 2 A Y E -Ab 23 42A 15 21,-1.8 21,-3.2 39,-0.1 2,-0.4 -0.949 360.0-122.0-154.8 169.3 -53.1 -21.7 -17.7 3 3 A A E -Ab 22 43A 0 39,-2.8 41,-3.5 -2,-0.3 2,-0.5 -0.964 7.2-143.6-127.4 141.3 -51.9 -20.5 -21.0 4 4 A L E +Ab 21 44A 0 17,-2.6 17,-1.8 -2,-0.4 2,-0.3 -0.878 38.1 162.3 -98.9 127.1 -51.8 -17.1 -22.7 5 5 A T E + b 0 45A 2 39,-2.3 41,-2.5 -2,-0.5 42,-0.3 -0.830 32.9 52.1-139.7 176.7 -52.4 -17.3 -26.4 6 6 A Q S S+ 0 0 130 13,-0.4 42,-2.7 -2,-0.3 43,-0.3 0.935 87.7 86.9 60.3 54.8 -53.4 -15.5 -29.6 7 7 A G S S- 0 0 14 12,-0.4 2,-0.6 41,-0.2 12,-0.4 -0.978 86.3 -84.3-166.1 168.7 -50.9 -12.6 -29.5 8 8 A R E -e 50 0B 97 41,-1.2 43,-3.1 -2,-0.3 2,-0.6 -0.777 46.9-152.1 -84.8 121.2 -47.4 -11.5 -30.4 9 9 A I E -eF 51 16B 0 7,-2.6 7,-2.4 -2,-0.6 2,-0.7 -0.849 8.0-160.2-103.1 117.8 -45.2 -12.7 -27.6 10 10 A F E + F 0 15B 0 41,-3.2 5,-0.2 -2,-0.6 342,-0.0 -0.847 10.2 179.4 -96.1 117.9 -41.9 -10.9 -26.7 11 11 A T - 0 0 14 3,-2.2 341,-1.8 -2,-0.7 -1,-0.1 0.624 57.5 -98.2 -90.7 -15.6 -39.5 -13.1 -24.8 12 12 A G S S+ 0 0 0 2,-0.4 3,-0.1 339,-0.2 -2,-0.1 0.135 120.8 51.0 114.7 -14.9 -36.7 -10.5 -24.5 13 13 A H S S- 0 0 131 1,-0.4 2,-0.3 320,-0.0 -3,-0.1 0.557 118.9 -3.7-123.2 -23.2 -34.9 -12.0 -27.4 14 14 A E - 0 0 111 -5,-0.1 -3,-2.2 315,-0.1 2,-0.5 -0.989 64.9-105.0-165.4 164.5 -37.5 -12.2 -30.1 15 15 A F E -F 10 0B 42 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.851 37.2-155.1 -97.8 133.3 -41.1 -11.8 -31.1 16 16 A L E -F 9 0B 22 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.3 -0.926 8.3-164.4-116.4 136.5 -43.1 -15.0 -31.4 17 17 A D S S+ 0 0 83 -2,-0.4 -9,-0.1 -9,-0.2 3,-0.1 -0.878 75.2 15.2-113.3 146.8 -46.2 -15.7 -33.4 18 18 A D S S+ 0 0 133 -2,-0.3 16,-2.4 -11,-0.2 17,-0.3 0.819 100.8 116.3 61.3 32.2 -48.5 -18.7 -32.9 19 19 A H E - C 0 33A 37 -12,-0.4 -13,-0.4 14,-0.3 -12,-0.4 -0.658 50.9-144.2-120.0 179.2 -47.0 -19.5 -29.5 20 20 A A E - C 0 32A 1 12,-2.4 12,-1.2 -2,-0.2 2,-0.6 -0.977 9.6-137.0-144.9 154.2 -48.2 -19.6 -26.0 21 21 A V E -AC 4 31A 0 -17,-1.8 -17,-2.6 -2,-0.3 2,-0.5 -0.973 21.4-153.3-114.4 116.6 -46.9 -18.8 -22.5 22 22 A V E -AC 3 30A 2 8,-2.8 7,-2.9 -2,-0.6 8,-1.2 -0.817 8.9-160.2 -94.3 127.6 -47.9 -21.4 -19.9 23 23 A I E +AC 2 28A 3 -21,-3.2 -21,-1.8 -2,-0.5 2,-0.4 -0.926 17.2 163.7-113.6 126.4 -48.1 -20.1 -16.4 24 24 A A E > - C 0 27A 20 3,-2.4 3,-2.0 -2,-0.5 334,-0.1 -0.998 63.8 -6.7-144.0 136.1 -47.9 -22.4 -13.3 25 25 A D T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.3 351,-0.1 0.890 126.1 -55.1 47.6 52.2 -47.3 -21.7 -9.7 26 26 A G T 3 S+ 0 0 20 1,-0.2 332,-2.5 349,-0.1 2,-0.3 0.585 121.3 98.8 62.3 10.5 -46.5 -18.0 -10.2 27 27 A L E < S-CD 24 357A 74 -3,-2.0 -3,-2.4 330,-0.3 2,-0.8 -0.852 83.1-106.2-125.9 161.6 -43.8 -19.0 -12.7 28 28 A I E -C 23 0A 1 328,-2.9 327,-2.7 325,-0.3 328,-0.3 -0.796 33.6-174.8 -86.9 113.6 -43.5 -19.1 -16.5 29 29 A K E - 0 0 112 -7,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.903 59.1 -19.1 -77.5 -43.9 -43.6 -22.9 -17.2 30 30 A S E -C 22 0A 32 -8,-1.2 -8,-2.8 324,-0.1 2,-0.4 -0.995 38.6-151.9-162.7 160.7 -43.0 -22.7 -21.0 31 31 A V E +C 21 0A 30 -2,-0.3 -10,-0.2 -10,-0.2 323,-0.1 -0.847 48.1 134.5-137.6 93.8 -43.0 -20.6 -24.1 32 32 A C E -C 20 0A 37 -12,-1.2 -12,-2.4 -2,-0.4 -2,-0.1 -0.824 61.2 -62.9-137.7 174.1 -43.6 -22.9 -27.1 33 33 A P E > -C 19 0A 53 0, 0.0 3,-2.0 0, 0.0 -14,-0.3 -0.256 53.1-113.4 -56.6 148.5 -45.7 -23.2 -30.2 34 34 A V G > S+ 0 0 63 -16,-2.4 3,-0.9 1,-0.3 -15,-0.1 0.664 112.2 72.7 -60.9 -14.2 -49.4 -23.4 -29.5 35 35 A A G 3 S+ 0 0 93 -17,-0.3 -1,-0.3 1,-0.2 -16,-0.1 0.693 91.5 54.9 -74.5 -19.6 -49.3 -27.0 -30.8 36 36 A E G < S+ 0 0 131 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.375 77.0 133.6 -94.8 4.1 -47.4 -28.2 -27.7 37 37 A L < - 0 0 31 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.258 67.1 -99.7 -57.5 137.2 -49.9 -26.9 -25.2 38 38 A P > - 0 0 43 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.235 50.7 -88.6 -56.6 144.0 -50.9 -29.4 -22.5 39 39 A P T 3 S- 0 0 118 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.339 104.5 -2.3 -59.7 129.6 -54.2 -31.2 -23.2 40 40 A E T 3 S+ 0 0 204 1,-0.2 2,-0.1 -3,-0.1 3,-0.1 0.564 88.0 152.7 68.6 12.2 -57.2 -29.4 -21.8 41 41 A I < - 0 0 25 -3,-1.5 -1,-0.2 1,-0.1 -39,-0.1 -0.477 55.5 -94.0 -75.8 147.1 -55.4 -26.5 -20.1 42 42 A E E -b 2 0A 103 -41,-0.6 -39,-2.8 -2,-0.1 2,-0.5 -0.329 39.3-153.2 -58.8 134.2 -57.2 -23.2 -19.8 43 43 A Q E -b 3 0A 112 -41,-0.2 2,-0.6 -3,-0.1 -39,-0.2 -0.940 8.3-167.6-117.9 113.7 -56.5 -20.8 -22.7 44 44 A R E -b 4 0A 68 -41,-3.5 -39,-2.3 -2,-0.5 2,-0.1 -0.882 19.7-135.5-103.3 117.6 -56.7 -17.1 -22.1 45 45 A S E -b 5 0A 49 -2,-0.6 -39,-0.2 -41,-0.2 -38,-0.1 -0.418 11.0-156.1 -73.5 143.5 -56.7 -15.0 -25.3 46 46 A L > - 0 0 5 -41,-2.5 3,-1.8 -2,-0.1 -40,-0.2 0.409 35.1-131.8 -94.0 -3.7 -54.5 -11.9 -25.7 47 47 A N T 3 S- 0 0 151 -42,-0.3 -40,-0.2 1,-0.3 -41,-0.1 0.810 70.4 -51.7 56.4 31.7 -57.0 -10.7 -28.4 48 48 A G T 3 S+ 0 0 50 -42,-2.7 -1,-0.3 -43,-0.2 -41,-0.2 0.545 103.1 141.6 85.0 6.9 -54.0 -9.9 -30.7 49 49 A A < - 0 0 2 -3,-1.8 -41,-1.2 -43,-0.3 2,-0.4 -0.269 58.3-100.9 -77.9 167.1 -52.1 -7.8 -28.1 50 50 A I E -eG 8 363B 12 313,-3.1 313,-1.8 -43,-0.2 2,-0.5 -0.749 33.1-149.2 -88.5 133.8 -48.4 -7.8 -27.5 51 51 A L E +eG 9 362B 2 -43,-3.1 -41,-3.2 -2,-0.4 311,-0.2 -0.916 25.4 166.0-108.0 129.3 -47.2 -9.8 -24.5 52 52 A S E - G 0 361B 0 309,-2.8 309,-2.2 -2,-0.5 -41,-0.1 -0.900 44.5 -88.2-139.5 163.8 -44.2 -8.7 -22.6 53 53 A P E - G 0 360B 2 0, 0.0 307,-0.3 0, 0.0 299,-0.1 -0.440 66.8 -89.4 -65.0 150.4 -42.2 -9.2 -19.4 54 54 A G - 0 0 3 305,-2.3 38,-0.2 319,-0.1 296,-0.2 -0.356 51.0 -99.6 -61.6 144.5 -43.7 -6.8 -16.8 55 55 A F E -j 92 0C 0 36,-2.4 39,-2.0 32,-0.1 38,-1.1 -0.392 31.3-150.5 -69.2 141.8 -41.9 -3.4 -16.9 56 56 A I E -j 94 0C 1 279,-2.8 2,-0.7 37,-0.2 39,-0.2 -0.961 6.5-164.3-117.8 116.5 -39.3 -2.7 -14.2 57 57 A D E -j 95 0C 1 37,-2.5 39,-1.9 -2,-0.5 214,-0.1 -0.875 6.0-173.5-104.7 108.4 -38.8 0.9 -13.1 58 58 A V E S+ 0 0 0 -2,-0.7 2,-0.3 212,-0.4 -1,-0.1 0.408 74.8 45.9 -84.7 4.6 -35.6 1.4 -11.2 59 59 A Q E + 0 0 3 39,-0.0 214,-2.6 156,-0.0 213,-0.7 -0.818 65.9 141.9-147.8 104.9 -36.3 5.0 -10.2 60 60 A L E +jk 97 274C 2 36,-1.1 38,-3.2 -2,-0.3 215,-0.1 -0.926 21.7 178.8-150.5 118.9 -39.6 6.0 -8.8 61 61 A N S S- 0 0 2 213,-2.0 7,-2.6 -2,-0.3 2,-0.3 0.722 70.7 -32.5 -89.4 -29.1 -40.4 8.5 -6.0 62 62 A G E +N 67 0D 0 212,-1.0 -1,-0.3 5,-0.2 2,-0.3 -0.974 54.2 170.9-178.5 171.1 -44.2 8.2 -6.1 63 63 A C E > +N 66 0D 3 3,-1.4 3,-1.6 -2,-0.3 213,-0.2 -0.937 59.5 53.4 179.1 167.9 -47.3 7.6 -8.1 64 64 A G T 3 S- 0 0 28 214,-3.7 215,-0.1 -2,-0.3 212,-0.1 0.673 130.9 -55.6 65.5 14.5 -51.0 7.0 -7.8 65 65 A G T 3 S+ 0 0 37 211,-1.9 2,-0.3 213,-0.4 -1,-0.3 0.461 118.6 93.2 97.3 1.8 -51.3 10.1 -5.6 66 66 A V E < -N 63 0D 34 -3,-1.6 -3,-1.4 210,-0.2 2,-0.3 -0.833 55.6-149.5-127.0 166.1 -48.7 9.1 -3.0 67 67 A Q E -N 62 0D 17 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.986 15.5-146.2-133.6 140.9 -45.0 9.6 -2.4 68 68 A F S S+ 0 0 0 -7,-2.6 2,-0.3 -2,-0.3 32,-0.1 -0.467 79.4 73.8-101.0 57.5 -42.5 7.3 -0.6 69 69 A N S S+ 0 0 2 -2,-0.7 2,-2.4 30,-0.1 5,-0.2 -0.921 71.0 30.6-155.2 178.1 -40.7 10.4 0.7 70 70 A D S S+ 0 0 45 -2,-0.3 2,-0.3 30,-0.3 36,-0.1 -0.301 99.8 52.7 66.6 -61.1 -40.6 13.4 3.0 71 71 A T S > S- 0 0 51 -2,-2.4 4,-2.1 1,-0.1 -2,-0.0 -0.758 71.3-128.7-115.6 159.9 -42.5 12.2 6.1 72 72 A A T 4 S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.795 113.5 57.4 -67.5 -27.1 -42.5 9.3 8.5 73 73 A E T 4 S+ 0 0 148 1,-0.2 -1,-0.2 3,-0.0 -3,-0.1 0.941 109.0 42.3 -68.9 -47.0 -46.2 9.0 7.7 74 74 A A T 4 S+ 0 0 25 -5,-0.2 2,-2.0 1,-0.2 5,-0.2 0.835 94.0 82.3 -69.6 -37.4 -45.7 8.6 4.0 75 75 A V S < S+ 0 0 1 -4,-2.1 2,-0.3 -7,-0.1 -1,-0.2 -0.511 74.5 121.1 -73.7 85.2 -42.8 6.1 4.2 76 76 A S S > S- 0 0 26 -2,-2.0 4,-1.7 1,-0.1 5,-0.1 -0.897 78.4-109.4-143.0 170.0 -44.9 3.0 4.8 77 77 A V H > S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.861 117.5 58.7 -68.6 -34.7 -45.8 -0.4 3.5 78 78 A E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 104.0 49.4 -61.6 -43.1 -49.2 1.0 2.5 79 79 A T H > S+ 0 0 11 -5,-0.2 4,-2.9 1,-0.2 5,-0.2 0.936 110.8 50.9 -61.1 -45.7 -47.6 3.6 0.2 80 80 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.893 111.5 47.9 -57.6 -41.1 -45.5 0.9 -1.4 81 81 A E H X S+ 0 0 48 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.856 111.6 49.5 -70.5 -35.0 -48.6 -1.2 -1.9 82 82 A I H X S+ 0 0 57 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.912 111.1 49.6 -68.7 -42.7 -50.5 1.8 -3.4 83 83 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.859 108.8 53.1 -64.5 -36.9 -47.6 2.6 -5.8 84 84 A Q H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.930 108.4 49.2 -64.2 -45.7 -47.5 -1.1 -6.9 85 85 A K H X S+ 0 0 103 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.869 112.9 47.4 -63.0 -37.3 -51.2 -1.1 -7.8 86 86 A A H >X S+ 0 0 10 -4,-1.9 3,-0.6 2,-0.2 4,-0.5 0.913 109.7 53.2 -70.3 -42.3 -50.8 2.1 -9.8 87 87 A N H ><>S+ 0 0 9 -4,-2.4 3,-2.2 1,-0.2 5,-2.2 0.916 101.8 59.1 -56.7 -47.0 -47.7 0.9 -11.6 88 88 A E H ><5S+ 0 0 3 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.824 96.3 63.3 -52.4 -34.7 -49.5 -2.3 -12.7 89 89 A K H <<5S+ 0 0 115 -4,-0.9 -1,-0.3 -3,-0.6 280,-0.3 0.716 107.6 42.2 -65.5 -21.1 -52.1 -0.1 -14.4 90 90 A S T <<5S- 0 0 12 -3,-2.2 224,-1.0 -4,-0.5 -1,-0.3 -0.033 127.7 -96.2-114.7 29.1 -49.3 1.2 -16.7 91 91 A G T < 5S+ 0 0 0 -3,-1.7 -36,-2.4 1,-0.2 2,-0.7 0.402 83.1 132.3 76.1 -1.2 -47.7 -2.3 -17.2 92 92 A C E < +j 55 0C 0 -5,-2.2 -1,-0.2 -38,-0.2 -2,-0.2 -0.755 21.7 167.5 -89.6 113.4 -45.1 -1.9 -14.5 93 93 A T E + 0 0 0 -38,-1.1 2,-0.3 -2,-0.7 -37,-0.2 0.585 65.7 38.2 -97.7 -15.9 -44.9 -5.0 -12.3 94 94 A N E +j 56 0C 1 -39,-2.0 -37,-2.5 -7,-0.1 2,-0.3 -0.993 62.6 154.2-139.0 147.2 -41.7 -4.2 -10.5 95 95 A Y E -jl 57 125C 0 29,-0.9 31,-1.7 -2,-0.3 32,-0.6 -0.974 39.5-115.8-160.5 169.5 -40.0 -1.0 -9.2 96 96 A L E - 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