==== 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 04-FEB-05 1YRR . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.M.FERREIRA,R.APARICIO,G.MENDOZA-HERNANDEZ,M.L.CALCAGNO,G.O . 715 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 12.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 1 0.1 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 . 73 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 0 5 1 3 2 4 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 4 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 PARALLEL BRIDGES PER LADDER . 3 7 1 7 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 2 1 2 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 0 111 0, 0.0 41,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.4 13.4 -13.2 126.4 2 2 A Y E -A 23 0A 20 21,-2.2 21,-3.2 39,-0.1 2,-0.4 -0.936 360.0-131.3-140.6 169.3 12.2 -13.1 122.8 3 3 A A E -Ab 22 43A 0 39,-2.2 41,-2.6 -2,-0.3 2,-0.5 -0.971 6.4-142.9-127.6 139.8 13.6 -13.5 119.2 4 4 A L E +Ab 21 44A 0 17,-2.2 17,-1.8 -2,-0.4 2,-0.3 -0.902 38.8 154.9 -98.6 125.7 13.3 -11.5 116.0 5 5 A T E + b 0 45A 0 39,-1.5 41,-2.7 -2,-0.5 42,-0.4 -0.835 32.6 58.3-138.8 174.5 13.0 -13.7 113.0 6 6 A Q S S+ 0 0 117 13,-0.5 42,-2.7 -2,-0.3 2,-0.3 0.875 89.1 75.3 67.6 42.9 11.7 -13.8 109.3 7 7 A G S S- 0 0 13 12,-0.3 2,-0.5 41,-0.2 12,-0.4 -0.939 93.2 -76.3-160.9 176.3 13.6 -10.9 107.8 8 8 A R E -e 50 0B 105 41,-1.1 43,-2.7 -2,-0.3 2,-0.6 -0.699 46.5-149.8 -82.3 122.5 17.2 -10.2 106.6 9 9 A I E -eF 51 16B 0 7,-2.5 7,-2.0 -2,-0.5 2,-0.6 -0.832 8.1-162.6-100.7 124.3 19.5 -9.6 109.6 10 10 A F E - F 0 15B 0 41,-3.0 5,-0.2 -2,-0.6 342,-0.1 -0.882 7.8-178.4-104.4 117.4 22.5 -7.3 109.3 11 11 A T - 0 0 11 3,-2.3 341,-2.5 -2,-0.6 -1,-0.1 0.628 56.1 -99.0 -87.8 -18.9 25.0 -7.9 112.1 12 12 A G S S+ 0 0 0 2,-0.4 3,-0.1 339,-0.2 324,-0.1 -0.021 121.9 50.3 111.2 -20.1 27.5 -5.2 111.1 13 13 A H S S- 0 0 120 1,-0.4 2,-0.3 339,-0.1 -3,-0.1 0.570 120.0 -2.4-120.3 -23.9 29.7 -7.8 109.4 14 14 A E - 0 0 110 315,-0.1 -3,-2.3 -5,-0.0 2,-0.4 -0.983 63.4-109.1-158.6 163.9 27.2 -9.7 107.2 15 15 A F E -F 10 0B 41 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.847 35.7-156.1 -92.8 140.1 23.5 -10.2 106.1 16 16 A L E -F 9 0B 19 -7,-2.0 -7,-2.5 -2,-0.4 2,-0.3 -0.954 7.6-159.7-122.2 129.8 21.8 -13.4 107.4 17 17 A D S S+ 0 0 103 -2,-0.4 -9,-0.1 -9,-0.2 3,-0.1 -0.813 78.7 11.1 -97.3 149.7 18.9 -15.2 106.0 18 18 A D S S+ 0 0 125 -2,-0.3 16,-2.1 1,-0.2 17,-0.3 0.844 101.9 121.5 57.1 37.4 16.8 -17.6 108.1 19 19 A H E - C 0 33A 44 -12,-0.4 -13,-0.5 14,-0.3 2,-0.3 -0.637 48.7-138.6-121.9-178.8 18.5 -16.5 111.3 20 20 A A E - C 0 32A 0 12,-2.7 12,-2.3 -2,-0.2 2,-0.5 -0.983 7.6-144.6-144.6 148.7 17.4 -14.9 114.6 21 21 A V E -AC 4 31A 0 -17,-1.8 -17,-2.2 -2,-0.3 2,-0.5 -0.977 21.6-153.6-114.3 115.1 18.4 -12.3 117.2 22 22 A V E -AC 3 30A 2 8,-3.1 7,-2.7 -2,-0.5 8,-1.1 -0.790 10.8-165.9 -92.2 129.4 17.6 -13.3 120.7 23 23 A I E +AC 2 28A 4 -21,-3.2 -21,-2.2 -2,-0.5 2,-0.3 -0.971 15.7 157.4-120.7 130.9 17.1 -10.5 123.2 24 24 A A E > + C 0 27A 16 3,-2.1 3,-1.7 -2,-0.4 334,-0.1 -0.980 64.9 0.4-150.8 139.4 17.0 -10.7 127.0 25 25 A D T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 351,-0.1 0.828 129.1 -55.8 52.1 38.7 17.5 -8.3 129.9 26 26 A G T 3 S+ 0 0 18 1,-0.3 332,-2.5 349,-0.1 2,-0.3 0.532 119.1 97.8 79.5 9.4 18.1 -5.4 127.4 27 27 A L E < S-CD 24 357A 72 -3,-1.7 -3,-2.1 330,-0.3 2,-0.7 -0.847 82.5-106.2-125.2 155.7 20.9 -7.2 125.6 28 28 A I E -C 23 0A 1 328,-2.9 327,-2.7 -2,-0.3 328,-0.3 -0.799 33.6-174.8 -75.2 113.4 21.4 -9.3 122.5 29 29 A K E - 0 0 123 -7,-2.7 2,-0.3 -2,-0.7 -6,-0.2 0.890 60.5 -19.4 -80.6 -42.4 21.8 -12.8 123.9 30 30 A S E -C 22 0A 42 -8,-1.1 -8,-3.1 324,-0.1 2,-0.4 -0.991 42.4-142.5-159.2 161.4 22.6 -14.5 120.6 31 31 A V E +C 21 0A 41 -2,-0.3 -10,-0.2 -10,-0.2 323,-0.1 -0.997 47.2 144.9-122.7 122.0 22.5 -14.4 116.8 32 32 A C E -C 20 0A 11 -12,-2.3 -12,-2.7 -2,-0.4 5,-0.1 -0.970 54.7 -73.6-154.1 160.8 21.8 -17.8 115.4 33 33 A P E > -C 19 0A 39 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.404 48.9-115.9 -49.0 144.7 20.1 -19.9 112.8 34 34 A V G > S+ 0 0 37 -16,-2.1 3,-1.7 1,-0.2 -15,-0.1 0.872 119.1 58.8 -37.0 -49.3 16.2 -20.0 113.4 35 35 A A G 3 S+ 0 0 93 -17,-0.3 -1,-0.2 1,-0.3 -16,-0.1 0.622 97.3 60.7 -69.5 -13.1 16.7 -23.8 113.9 36 36 A E G < S+ 0 0 139 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.424 81.6 114.9 -99.3 1.9 19.1 -23.1 116.8 37 37 A L S < S- 0 0 21 -3,-1.7 3,-0.1 -4,-0.4 -3,-0.0 -0.464 77.3 -97.0 -60.7 136.6 16.5 -21.3 118.8 38 38 A P > - 0 0 60 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.127 53.7 -84.7 -48.6 134.0 15.2 -22.6 122.2 39 39 A P T 3 S- 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.215 108.3 -4.0 -50.0 123.3 11.9 -24.7 122.0 40 40 A E T 3 S+ 0 0 198 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 0.521 84.3 156.6 55.9 17.3 8.8 -22.4 122.2 41 41 A I < - 0 0 28 -3,-1.9 2,-0.5 1,-0.1 -1,-0.2 -0.313 57.2 -97.0 -49.8 148.5 10.6 -19.1 122.6 42 42 A E - 0 0 105 -41,-0.5 -39,-2.2 2,-0.0 2,-0.4 -0.641 39.4-153.3 -73.8 121.6 8.3 -16.4 121.4 43 43 A Q E -b 3 0A 87 -2,-0.5 2,-0.5 -41,-0.2 -39,-0.2 -0.848 5.0-162.1 -93.3 136.4 9.2 -15.4 117.7 44 44 A R E -b 4 0A 71 -41,-2.6 -39,-1.5 -2,-0.4 2,-0.0 -0.981 24.1-125.7-122.2 115.0 8.3 -11.8 116.6 45 45 A S E -b 5 0A 33 -2,-0.5 -39,-0.2 -41,-0.2 -38,-0.1 -0.276 14.9-158.8 -70.6 141.5 8.3 -11.6 112.9 46 46 A L > - 0 0 5 -41,-2.7 3,-1.6 3,-0.1 -40,-0.2 0.575 33.4-139.3 -85.8 -14.0 10.4 -9.0 111.0 47 47 A N T 3 - 0 0 144 -42,-0.4 -40,-0.2 1,-0.3 -41,-0.1 0.880 67.8 -49.4 58.5 39.8 7.9 -9.4 108.1 48 48 A G T 3 S+ 0 0 50 -42,-2.7 -1,-0.3 1,-0.2 -41,-0.2 0.466 104.6 139.0 77.1 2.9 10.7 -9.3 105.5 49 49 A A < - 0 0 3 -3,-1.6 -41,-1.1 -43,-0.3 2,-0.5 -0.328 58.6-110.2 -70.2 159.7 12.2 -6.1 106.9 50 50 A I E -eG 8 363B 18 313,-2.6 313,-2.0 -43,-0.2 2,-0.4 -0.830 29.1-147.8 -89.0 128.1 16.0 -5.6 107.2 51 51 A L E +eG 9 362B 0 -43,-2.7 -41,-3.0 -2,-0.5 311,-0.2 -0.851 25.2 167.7-102.0 134.2 17.1 -5.6 110.8 52 52 A S E - G 0 361B 0 309,-3.0 309,-2.3 -2,-0.4 -41,-0.1 -0.929 44.1 -88.6-135.8 155.5 20.2 -3.3 111.8 53 53 A P E - G 0 360B 3 0, 0.0 307,-0.3 0, 0.0 299,-0.1 -0.400 67.0 -87.7 -52.7 147.5 21.9 -2.0 114.9 54 54 A G - 0 0 3 305,-2.1 38,-0.2 319,-0.1 296,-0.1 -0.374 52.2-100.0 -61.3 145.8 20.2 1.2 115.8 55 55 A F E -j 92 0C 0 36,-2.3 39,-1.8 -3,-0.1 38,-1.3 -0.304 30.4-148.9 -72.6 147.9 21.7 4.2 114.0 56 56 A I E -j 94 0C 2 279,-2.6 2,-0.7 37,-0.2 39,-0.2 -0.974 7.1-164.4-122.4 117.3 24.1 6.4 115.9 57 57 A D E -j 95 0C 2 37,-2.5 39,-1.7 -2,-0.5 214,-0.1 -0.875 5.9-175.0-110.0 103.9 24.3 10.1 115.0 58 58 A V E S+ 0 0 0 -2,-0.7 2,-0.3 212,-0.4 -1,-0.1 0.409 74.6 46.5 -87.6 7.8 27.4 11.8 116.4 59 59 A Q E + 0 0 2 39,-0.1 214,-2.5 156,-0.0 213,-0.5 -0.790 66.9 142.1-149.5 107.0 26.5 15.4 115.3 60 60 A L E +j 97 0C 1 36,-1.0 38,-2.5 -2,-0.3 69,-0.1 -0.943 21.4 178.1-151.0 120.3 23.0 16.6 116.0 61 61 A N S S- 0 0 3 213,-2.0 7,-2.4 1,-0.3 2,-0.3 0.727 70.5 -26.9 -93.9 -28.7 21.9 20.1 117.1 62 62 A G E +L 67 0D 0 212,-1.2 -1,-0.3 5,-0.3 2,-0.3 -0.962 55.9 167.8 179.1 158.0 18.2 19.6 117.2 63 63 A C E > +L 66 0D 4 3,-1.7 3,-1.8 -2,-0.3 213,-0.2 -0.919 59.1 49.7-175.7 167.3 15.2 17.6 115.9 64 64 A G T 3 S- 0 0 24 214,-3.5 215,-0.1 1,-0.3 212,-0.1 0.790 130.8 -55.5 62.2 28.7 11.5 16.9 116.6 65 65 A G T 3 S+ 0 0 30 211,-2.9 2,-0.3 213,-0.4 -1,-0.3 0.535 120.4 91.2 84.5 3.0 10.8 20.6 116.9 66 66 A V E < -L 63 0D 35 -3,-1.8 -3,-1.7 210,-0.3 2,-0.4 -0.909 55.3-152.9-127.0 162.2 13.5 21.3 119.6 67 67 A Q E -L 62 0D 18 -2,-0.3 2,-1.4 -5,-0.2 -5,-0.3 -0.998 19.5-140.1-135.2 140.6 17.2 22.3 119.8 68 68 A F S S+ 0 0 0 -7,-2.4 2,-0.3 -2,-0.4 32,-0.1 -0.495 81.3 68.1 -88.8 61.6 19.8 21.7 122.4 69 69 A N S S+ 0 0 2 -2,-1.4 2,-2.0 30,-0.1 -2,-0.2 -0.957 71.4 35.0-165.1 165.6 21.1 25.2 122.0 70 70 A D S S+ 0 0 58 30,-0.4 2,-0.3 -2,-0.3 -2,-0.1 -0.221 99.0 50.8 75.0 -42.9 20.7 28.9 122.3 71 71 A T S > S- 0 0 67 -2,-2.0 4,-1.7 1,-0.1 3,-0.5 -0.948 73.6-124.0-131.8 155.2 18.7 29.3 125.5 72 72 A A T 4 S+ 0 0 57 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.893 113.4 52.7 -57.7 -40.6 18.9 28.2 129.2 73 73 A E T 4 S+ 0 0 159 1,-0.2 -1,-0.2 3,-0.1 6,-0.2 0.826 109.7 48.1 -67.6 -29.7 15.3 26.7 128.9 74 74 A A T 4 S+ 0 0 11 -3,-0.5 2,-1.9 1,-0.2 -1,-0.2 0.775 93.2 77.1 -80.1 -26.9 16.2 24.7 125.7 75 75 A V S < S+ 0 0 0 -4,-1.7 2,-0.3 -3,-0.1 -1,-0.2 -0.633 81.7 121.4 -86.6 79.8 19.4 23.2 127.2 76 76 A S S > S- 0 0 26 -2,-1.9 4,-1.9 1,-0.1 5,-0.1 -0.923 79.9-111.0-142.6 162.7 17.4 20.7 129.3 77 77 A V H > S+ 0 0 26 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.894 117.7 57.4 -64.7 -38.3 16.8 17.1 130.1 78 78 A E H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 103.1 53.2 -60.6 -42.1 13.4 17.4 128.5 79 79 A T H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 108.9 49.5 -58.5 -45.4 15.0 18.6 125.2 80 80 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.872 110.9 49.7 -62.5 -35.1 17.2 15.5 125.2 81 81 A E H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 111.3 49.2 -69.2 -43.1 14.2 13.2 125.8 82 82 A I H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 111.3 48.5 -60.3 -43.4 12.3 14.8 123.0 83 83 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.887 108.8 53.7 -68.6 -40.8 15.2 14.5 120.6 84 84 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.931 110.0 48.0 -54.5 -47.3 15.6 10.8 121.6 85 85 A K H X S+ 0 0 94 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.913 113.4 46.7 -67.3 -38.3 11.9 10.1 120.8 86 86 A A H >X S+ 0 0 18 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.960 110.1 53.4 -67.0 -43.2 12.1 11.9 117.4 87 87 A N H ><>S+ 0 0 9 -4,-2.7 5,-2.2 1,-0.3 3,-1.8 0.894 101.6 60.6 -57.9 -44.3 15.3 10.1 116.5 88 88 A E H ><5S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.861 94.9 62.0 -51.0 -38.6 13.7 6.7 117.2 89 89 A K H <<5S+ 0 0 133 -4,-1.0 -1,-0.3 -3,-0.8 280,-0.3 0.706 108.4 43.1 -68.0 -13.5 11.1 7.3 114.5 90 90 A S T <<5S- 0 0 14 -3,-1.8 224,-1.3 -4,-0.5 -1,-0.3 0.130 127.3 -96.9-121.3 25.2 13.9 7.5 111.9 91 91 A G T < 5S+ 0 0 0 -3,-1.9 -36,-2.3 1,-0.2 2,-0.7 0.402 81.5 132.8 85.4 1.4 15.8 4.5 113.3 92 92 A C E < +j 55 0C 1 -5,-2.2 -1,-0.2 -38,-0.2 -2,-0.2 -0.782 21.2 167.9 -90.9 111.1 18.3 6.4 115.4 93 93 A T E + 0 0 0 -38,-1.3 2,-0.3 -2,-0.7 -37,-0.2 0.562 65.1 40.4 -98.7 -9.9 18.7 5.0 118.9 94 94 A N E +j 56 0C 1 -39,-1.8 -37,-2.5 -7,-0.1 2,-0.3 -0.997 61.3 158.4-143.8 142.0 21.8 6.9 119.9 95 95 A Y E -jk 57 125C 0 29,-1.0 31,-2.7 -2,-0.3 32,-0.5 -0.966 37.2-123.5-151.1 166.5 23.1 10.4 119.5 96 96 A L E - 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