==== 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 21-JAN-05 1YMY . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,D.F.XIANG,F.M.RAUSHEL,S.C.ALMO,S.K.B . 707 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 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 . 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 . 74 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 23.6 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 2 0 2 2 3 4 0 4 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 8 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 PARALLEL BRIDGES PER LADDER . 5 3 3 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 . 1 2 1 0 0 2 0 2 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 0 121 0, 0.0 41,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.2 54.6 -13.4 86.2 2 2 A Y E -Ab 23 42A 16 21,-2.0 21,-3.2 39,-0.2 2,-0.4 -0.954 360.0-128.4-155.7 170.7 53.5 -13.5 82.5 3 3 A A E -Ab 22 43A 0 39,-2.4 41,-3.5 -2,-0.3 2,-0.5 -0.970 10.0-136.5-132.5 146.6 54.9 -13.7 79.0 4 4 A L E +Ab 21 44A 0 17,-2.5 17,-1.8 -2,-0.4 2,-0.3 -0.879 39.5 159.8-100.0 127.1 54.5 -11.7 75.8 5 5 A T E + b 0 45A 2 39,-2.2 41,-2.5 -2,-0.5 42,-0.4 -0.867 32.5 57.5-141.7 174.5 54.1 -13.9 72.7 6 6 A Q E S+ 0 0 116 13,-0.5 42,-3.0 -2,-0.3 41,-0.3 0.958 88.9 72.0 67.7 57.6 52.9 -14.0 69.2 7 7 A G E S- b 0 48A 10 10,-0.5 12,-0.2 12,-0.3 -1,-0.2 -0.857 91.6 -79.5 174.0 152.2 55.0 -11.2 67.6 8 8 A R E - 0 0 95 40,-0.6 43,-2.5 -2,-0.3 2,-0.5 -0.466 46.0-157.3 -65.3 131.8 58.5 -10.5 66.5 9 9 A I E -Cb 16 51A 0 7,-1.8 7,-2.6 41,-0.2 2,-0.6 -0.966 5.2-154.1-117.7 126.3 60.5 -9.5 69.5 10 10 A F E -C 15 0A 0 41,-3.8 5,-0.2 -2,-0.5 -2,-0.0 -0.877 8.9-174.5 -96.9 120.2 63.7 -7.4 69.2 11 11 A T - 0 0 9 3,-2.1 336,-2.0 -2,-0.6 -1,-0.1 0.719 56.2 -94.6 -87.0 -22.8 66.1 -8.0 72.0 12 12 A G S S+ 0 0 0 2,-0.5 3,-0.1 334,-0.2 319,-0.1 0.057 120.9 49.0 127.5 -19.4 68.6 -5.3 71.0 13 13 A H S S- 0 0 109 1,-0.4 2,-0.3 319,-0.0 -3,-0.1 0.671 120.0 -11.5-118.3 -32.7 70.8 -7.7 69.1 14 14 A E - 0 0 91 -5,-0.1 -3,-2.1 310,-0.0 2,-0.5 -0.973 66.8 -95.9-160.2 171.7 68.4 -9.6 66.9 15 15 A F E -C 10 0A 29 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.841 32.1-158.1 -97.5 131.1 64.8 -10.5 66.1 16 16 A L E -C 9 0A 26 -7,-2.6 -7,-1.8 -2,-0.5 -9,-0.1 -0.840 4.0-166.2-106.2 145.8 63.3 -13.6 67.5 17 17 A D S S+ 0 0 96 -2,-0.4 -10,-0.5 -9,-0.2 -1,-0.2 0.921 76.4 21.4 -99.0 -64.7 60.3 -15.3 65.9 18 18 A D S S+ 0 0 126 -12,-0.1 16,-2.7 -13,-0.1 17,-0.4 -0.154 101.5 109.5 -99.8 42.5 58.5 -17.9 67.9 19 19 A H E - D 0 33A 54 14,-0.3 -13,-0.5 -12,-0.2 2,-0.3 -0.374 52.1-143.3-105.6-173.6 59.8 -16.8 71.3 20 20 A A E - D 0 32A 0 12,-3.1 12,-1.5 -15,-0.1 2,-0.6 -0.988 9.2-137.2-149.8 155.4 58.5 -15.1 74.4 21 21 A V E -AD 4 31A 0 -17,-1.8 -17,-2.5 -2,-0.3 2,-0.6 -0.968 19.9-155.0-118.1 116.5 59.5 -12.6 77.0 22 22 A V E -AD 3 30A 7 8,-2.8 7,-1.9 -2,-0.6 8,-1.2 -0.835 8.9-161.6 -97.2 124.8 58.5 -13.5 80.5 23 23 A I E +AD 2 28A 2 -21,-3.2 -21,-2.0 -2,-0.6 2,-0.3 -0.832 15.6 165.5-105.9 141.8 58.2 -10.6 82.9 24 24 A A E > - D 0 27A 15 3,-2.7 3,-1.6 -2,-0.4 329,-0.1 -0.885 63.5 -5.3-160.9 124.4 58.2 -11.0 86.7 25 25 A D T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 346,-0.1 0.851 125.7 -58.0 62.5 34.9 58.6 -8.5 89.5 26 26 A G T 3 S+ 0 0 14 1,-0.3 327,-3.2 345,-0.1 -1,-0.3 0.412 121.4 97.9 77.6 -4.9 59.2 -5.6 87.1 27 27 A L E < S-DE 24 352A 75 -3,-1.6 -3,-2.7 325,-0.2 2,-0.9 -0.676 84.4-105.5-111.4 168.2 62.2 -7.4 85.6 28 28 A I E -D 23 0A 0 323,-2.0 322,-2.3 320,-0.4 -5,-0.2 -0.847 28.5-168.5 -92.9 108.9 62.6 -9.6 82.6 29 29 A K E - 0 0 115 -7,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.943 62.9 -46.8 -62.0 -48.1 62.9 -13.1 83.9 30 30 A S E -D 22 0A 45 -8,-1.2 -8,-2.8 -3,-0.1 2,-0.6 -0.950 40.1-123.4-178.6 160.8 64.1 -14.4 80.6 31 31 A V E +D 21 0A 40 -2,-0.3 -10,-0.2 -10,-0.2 318,-0.1 -0.950 49.8 150.9-119.7 105.7 63.5 -14.4 76.8 32 32 A C E -D 20 0A 15 -12,-1.5 -12,-3.1 -2,-0.6 5,-0.1 -0.764 50.4 -73.5-130.4 174.0 63.0 -18.0 75.6 33 33 A P E -D 19 0A 40 0, 0.0 4,-0.3 0, 0.0 -14,-0.3 -0.340 44.4-117.3 -66.7 153.1 61.2 -20.0 72.9 34 34 A V S > S+ 0 0 56 -16,-2.7 3,-1.1 1,-0.2 -15,-0.1 0.854 115.2 59.0 -61.0 -32.6 57.5 -20.3 73.3 35 35 A A T 3 S+ 0 0 87 -17,-0.4 -1,-0.2 1,-0.3 -16,-0.1 0.982 99.5 54.1 -58.4 -58.5 58.0 -24.0 73.6 36 36 A E T 3 S+ 0 0 145 3,-0.0 -1,-0.3 2,-0.0 -2,-0.2 0.520 83.7 118.3 -55.8 -4.8 60.3 -23.7 76.6 37 37 A L S < S- 0 0 19 -3,-1.1 -3,-0.0 -4,-0.3 -34,-0.0 -0.466 72.7-119.4 -66.5 127.7 57.6 -21.7 78.3 38 38 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.295 19.8-123.5 -62.8 158.5 56.3 -23.4 81.5 39 39 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.769 100.8 69.2 -75.5 -24.4 52.6 -24.3 81.3 40 40 A E T 3 S+ 0 0 178 2,-0.1 2,-0.4 0, 0.0 -3,-0.0 0.231 79.9 102.9 -80.5 15.4 51.6 -22.4 84.4 41 41 A I S < S- 0 0 26 -3,-0.7 -39,-0.2 -39,-0.0 2,-0.1 -0.826 73.2-115.1-111.2 142.5 52.2 -18.9 83.0 42 42 A E E -b 2 0A 110 -41,-0.8 -39,-2.4 -2,-0.4 2,-0.6 -0.417 30.9-147.6 -64.7 135.0 49.8 -16.2 81.8 43 43 A Q E -b 3 0A 93 -41,-0.2 2,-0.6 -2,-0.1 -39,-0.2 -0.934 10.7-166.6-116.0 118.9 50.3 -15.5 78.1 44 44 A R E -b 4 0A 67 -41,-3.5 -39,-2.2 -2,-0.6 2,-0.2 -0.911 18.4-136.0-106.6 120.1 49.8 -12.0 76.7 45 45 A S E -b 5 0A 37 -2,-0.6 -39,-0.2 -41,-0.2 -38,-0.1 -0.492 14.2-164.0 -78.5 140.9 49.5 -11.7 72.9 46 46 A L E > - 0 0 2 -41,-2.5 3,-1.0 -2,-0.2 -40,-0.2 0.625 32.6-134.1 -93.4 -19.2 51.3 -9.0 70.9 47 47 A N E 3 - 0 0 143 -42,-0.4 -40,-0.2 -41,-0.3 -41,-0.1 0.861 68.9 -52.1 65.3 40.2 49.2 -9.6 67.7 48 48 A G E 3 S+b 7 0A 41 -42,-3.0 -40,-0.6 1,-0.3 -1,-0.2 0.251 101.0 141.5 84.4 -14.2 52.2 -9.6 65.4 49 49 A A E < - 0 0 2 -3,-1.0 2,-0.3 -43,-0.2 -1,-0.3 -0.219 59.8-106.6 -62.2 150.0 53.5 -6.3 66.7 50 50 A I E - F 0 358A 11 308,-2.5 308,-2.1 -43,-0.1 2,-0.5 -0.628 34.4-153.1 -77.2 136.5 57.2 -5.8 67.0 51 51 A L E +bF 9 357A 0 -43,-2.5 -41,-3.8 -2,-0.3 306,-0.2 -0.951 25.4 154.2-115.4 128.1 58.2 -5.9 70.7 52 52 A S E - F 0 356A 0 304,-2.6 304,-2.7 -2,-0.5 -41,-0.1 -0.939 49.1 -77.7-146.0 168.2 61.3 -4.0 71.9 53 53 A P E - F 0 355A 2 0, 0.0 302,-0.3 0, 0.0 294,-0.1 -0.357 67.6 -85.0 -64.8 152.0 62.8 -2.4 75.0 54 54 A G - 0 0 2 300,-2.2 38,-0.2 314,-0.2 2,-0.1 -0.204 50.9-100.8 -56.4 149.6 61.3 1.0 75.7 55 55 A F E -i 92 0B 0 36,-2.7 39,-1.7 -3,-0.1 38,-1.2 -0.444 27.9-142.9 -74.0 147.2 62.9 3.9 73.8 56 56 A I E -i 94 0B 0 274,-2.9 2,-0.9 37,-0.2 39,-0.2 -0.922 11.1-164.4-114.0 107.5 65.4 6.1 75.7 57 57 A D E -i 95 0B 2 37,-2.6 39,-1.7 -2,-0.6 3,-0.2 -0.754 8.7-179.7 -95.9 101.5 65.2 9.8 74.8 58 58 A V E S+ 0 0 0 -2,-0.9 2,-0.2 207,-0.4 -1,-0.1 0.238 71.2 49.3 -85.9 17.3 68.3 11.6 76.1 59 59 A Q E + 0 0 2 208,-0.1 208,-0.5 39,-0.0 210,-0.5 -0.652 68.3 147.1-154.0 88.3 67.4 15.1 74.9 60 60 A L E +i 97 0B 1 36,-1.3 38,-2.3 -2,-0.2 210,-0.1 -0.971 23.2 176.7-134.6 121.5 63.9 16.3 75.9 61 61 A N - 0 0 1 208,-2.2 7,-1.6 -2,-0.4 2,-0.3 0.766 69.8 -43.7 -89.7 -29.3 62.8 19.8 76.8 62 62 A G E -K 67 0C 0 207,-1.0 -1,-0.3 5,-0.2 211,-0.3 -0.904 49.7-171.4 171.4 161.3 59.1 19.0 77.2 63 63 A C E > +K 66 0C 3 3,-1.0 3,-0.5 -2,-0.3 208,-0.2 -0.968 64.8 44.0-163.4 163.2 56.1 17.1 76.0 64 64 A G T 3 S- 0 0 23 207,-0.3 -1,-0.1 -2,-0.3 207,-0.1 0.911 130.9 -56.3 60.2 43.2 52.3 16.9 76.6 65 65 A G T 3 S+ 0 0 34 206,-2.2 2,-0.3 205,-0.2 -1,-0.2 0.717 117.1 95.0 65.5 24.4 52.1 20.6 76.9 66 66 A V E < -K 63 0C 33 -3,-0.5 -3,-1.0 205,-0.2 2,-0.4 -0.992 50.8-159.0-144.9 152.9 54.7 21.2 79.6 67 67 A Q E -K 62 0C 17 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.971 24.3-134.9-131.9 147.4 58.3 22.0 79.9 68 68 A F S S+ 0 0 0 -7,-1.6 2,-0.3 -2,-0.4 32,-0.1 -0.270 81.3 83.9 -91.5 45.3 60.8 21.5 82.6 69 69 A N S S+ 0 0 3 -2,-0.5 5,-0.2 30,-0.1 -2,-0.2 -0.848 75.0 6.0-141.1 176.6 62.0 25.0 82.1 70 70 A D S S+ 0 0 56 30,-0.5 5,-0.2 -2,-0.3 212,-0.0 -0.229 97.9 64.0 52.9-125.0 61.6 28.7 82.8 71 71 A T S >> S- 0 0 74 1,-0.2 3,-2.0 3,-0.1 4,-1.0 0.090 79.9-130.9 -31.5 124.3 58.9 29.5 85.3 72 72 A A T 34 S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.584 106.2 64.7 -58.8 -9.8 59.9 28.0 88.7 73 73 A E T 34 S+ 0 0 143 1,-0.1 -1,-0.3 -4,-0.1 6,-0.2 0.756 98.2 54.4 -83.6 -25.8 56.4 26.4 88.8 74 74 A A T <4 S+ 0 0 17 -3,-2.0 2,-2.2 -5,-0.2 5,-0.2 0.851 89.9 74.7 -75.0 -37.9 57.2 24.3 85.8 75 75 A V S < S+ 0 0 0 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.2 -0.514 78.8 111.3 -79.5 78.4 60.3 22.7 87.2 76 76 A S S > S- 0 0 31 -2,-2.2 4,-1.4 37,-0.1 -3,-0.0 -0.825 83.3-101.3-139.2 174.7 58.5 20.4 89.6 77 77 A V H > S+ 0 0 38 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.776 117.2 61.9 -75.0 -25.5 57.8 16.7 89.9 78 78 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 103.6 49.6 -66.4 -38.1 54.3 17.0 88.4 79 79 A T H > S+ 0 0 11 -5,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 109.2 53.3 -63.0 -43.4 55.9 18.2 85.2 80 80 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.870 111.8 44.1 -60.4 -37.2 58.3 15.3 85.3 81 81 A E H X S+ 0 0 66 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.794 111.0 52.8 -82.4 -23.0 55.4 12.9 85.7 82 82 A I H X S+ 0 0 57 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 109.6 49.5 -72.5 -43.3 53.3 14.5 83.0 83 83 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.911 109.5 53.6 -58.8 -42.1 56.2 14.3 80.5 84 84 A Q H X S+ 0 0 3 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.956 107.9 47.5 -58.1 -52.6 56.6 10.6 81.5 85 85 A K H X S+ 0 0 152 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.866 113.7 50.1 -58.4 -35.2 53.0 9.7 80.7 86 86 A A H >< S+ 0 0 12 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.960 107.2 51.6 -67.8 -53.1 53.3 11.6 77.4 87 87 A N H ><>S+ 0 0 10 -4,-2.9 5,-2.2 1,-0.2 3,-1.4 0.814 103.6 61.1 -52.8 -35.0 56.5 9.8 76.3 88 88 A E H ><5S+ 0 0 9 -4,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.874 89.9 66.3 -63.1 -38.1 54.9 6.5 77.0 89 89 A K T <<5S+ 0 0 132 -4,-1.0 -1,-0.3 -3,-0.9 275,-0.3 0.640 109.4 40.9 -60.8 -10.8 52.1 7.0 74.4 90 90 A S T < 5S- 0 0 11 -3,-1.4 219,-0.8 -4,-0.3 -1,-0.3 0.038 125.7 -93.4-126.4 27.4 54.9 6.9 71.8 91 91 A G T < 5S+ 0 0 0 -3,-2.2 -36,-2.7 1,-0.2 2,-0.8 0.328 82.7 130.3 82.6 -5.4 57.1 4.1 73.2 92 92 A C E < +i 55 0B 1 -5,-2.2 -1,-0.2 -38,-0.2 -2,-0.2 -0.723 21.5 166.7 -87.0 111.4 59.5 6.2 75.2 93 93 A T E + 0 0 0 -38,-1.2 2,-0.3 -2,-0.8 -1,-0.2 0.632 64.8 34.1 -98.8 -13.9 59.9 4.7 78.7 94 94 A N E +i 56 0B 0 -39,-1.7 -37,-2.6 -7,-0.1 2,-0.3 -0.988 65.1 154.1-140.3 148.3 62.9 6.6 79.9 95 95 A Y E -ij 57 125B 0 29,-1.0 31,-2.3 -2,-0.3 32,-0.6 -0.955 37.3-115.7-160.4 176.6 64.2 10.1 79.2 96 96 A L E - 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