==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-02 1O12 . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 726 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 13.9 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 . 6 0.8 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 . 59 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 1 1 1 1 5 3 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 0 10 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 . 4 2 3 6 1 2 1 1 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 0 0 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 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 X 0 0 163 0, 0.0 21,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -29.5 -5.2 2.7 -35.0 2 2 A I E -A 21 0A 88 19,-0.2 2,-0.6 2,-0.0 19,-0.2 -0.967 360.0-168.5-146.9 128.4 -7.8 3.0 -32.3 3 3 A V E -A 20 0A 7 17,-2.7 17,-2.8 -2,-0.4 2,-0.2 -0.968 26.3-168.7-114.0 117.7 -7.7 4.4 -28.7 4 4 A E E + 0 0 84 -2,-0.6 15,-0.2 15,-0.2 34,-0.2 -0.692 49.6 15.2-112.1 162.6 -10.9 3.4 -26.8 5 5 A K E S+ 0 0 64 -2,-0.2 33,-3.1 1,-0.2 34,-0.4 0.922 86.5 141.7 48.6 59.0 -12.7 4.3 -23.6 6 6 A V E -A 18 0A 0 12,-2.5 12,-1.5 31,-0.3 2,-1.3 -0.863 65.4-108.2-128.3 162.6 -10.7 7.4 -22.8 7 7 A L E -Ab 17 40A 39 32,-3.2 34,-2.5 -2,-0.3 2,-0.3 -0.766 45.5-153.9 -85.8 95.0 -11.3 10.9 -21.5 8 8 A I E -Ab 16 41A 0 8,-2.6 8,-2.2 -2,-1.3 2,-0.5 -0.558 8.6-162.5 -73.4 132.5 -10.9 12.7 -24.8 9 9 A V E +A 15 0A 0 32,-1.9 6,-0.2 -2,-0.3 -2,-0.0 -0.925 14.5 170.7-127.2 111.3 -9.7 16.3 -24.5 10 10 A D E > -A 14 0A 0 4,-2.5 4,-1.4 -2,-0.5 322,-0.1 -0.944 34.4-135.0-115.4 136.3 -10.1 18.8 -27.3 11 11 A P T 4 S+ 0 0 4 0, 0.0 304,-0.1 0, 0.0 -1,-0.1 0.735 104.9 27.4 -58.9 -26.0 -9.4 22.6 -26.8 12 12 A I T 4 S+ 0 0 89 2,-0.2 3,-0.1 1,-0.0 320,-0.0 0.814 123.2 42.9-108.0 -43.0 -12.6 23.4 -28.6 13 13 A D T 4 S- 0 0 98 1,-0.3 2,-0.1 320,-0.1 298,-0.0 0.495 102.5-131.7 -85.3 -3.2 -15.0 20.6 -28.3 14 14 A G E < -A 10 0A 20 -4,-1.4 -4,-2.5 297,-0.1 2,-0.4 -0.418 35.5 -48.1 88.3-167.8 -14.4 20.1 -24.6 15 15 A E E +A 9 0A 78 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.909 62.4 146.3-113.9 139.0 -13.7 16.9 -22.7 16 16 A F E -A 8 0A 45 -8,-2.2 -8,-2.6 -2,-0.4 2,-0.2 -0.983 46.5 -97.0-166.4 153.1 -15.7 13.7 -23.0 17 17 A T E +A 7 0A 27 -2,-0.3 16,-1.8 -10,-0.2 2,-0.3 -0.497 67.4 97.7 -76.1 145.4 -15.4 9.9 -22.8 18 18 A G E -AC 6 32A 0 -12,-1.5 -12,-2.5 14,-0.3 2,-0.3 -0.976 65.1 -74.4 170.6-159.5 -15.2 8.1 -26.2 19 19 A D E - C 0 31A 14 12,-2.1 12,-2.9 -2,-0.3 2,-0.4 -0.956 28.1-148.3-132.3 149.0 -12.9 6.5 -28.7 20 20 A V E -AC 3 30A 1 -17,-2.8 -17,-2.7 -2,-0.3 2,-0.5 -0.973 9.6-149.8-121.8 135.1 -10.5 8.0 -31.3 21 21 A E E -AC 2 29A 62 8,-3.4 7,-3.0 -2,-0.4 8,-1.4 -0.924 8.7-165.0-112.1 124.5 -9.8 6.4 -34.6 22 22 A I E - C 0 27A 7 -21,-3.1 2,-0.5 -2,-0.5 5,-0.2 -0.928 6.7-176.1-113.4 123.7 -6.4 6.9 -36.4 23 23 A E E > S- C 0 26A 122 3,-3.3 3,-1.4 -2,-0.5 316,-0.1 -0.964 73.4 -34.5-121.2 110.7 -5.8 6.1 -40.0 24 24 A E T 3 S- 0 0 181 -2,-0.5 -1,-0.2 1,-0.3 333,-0.1 0.915 126.5 -38.0 37.8 74.4 -2.2 6.5 -41.2 25 25 A G T 3 S+ 0 0 3 331,-0.2 314,-2.7 1,-0.1 2,-0.4 0.528 121.2 102.7 61.9 9.5 -1.3 9.5 -39.0 26 26 A K E < S-CD 23 338A 94 -3,-1.4 -3,-3.3 312,-0.3 2,-0.6 -0.978 72.1-128.0-128.3 132.3 -4.7 11.1 -39.4 27 27 A I E +C 22 0A 0 310,-3.0 309,-2.9 -2,-0.4 310,-0.3 -0.680 33.4 169.6 -75.3 117.9 -7.6 11.1 -36.9 28 28 A V E + 0 0 34 -7,-3.0 2,-0.3 -2,-0.6 -6,-0.2 0.518 59.9 28.5-108.5 -10.2 -10.6 9.9 -38.9 29 29 A K E -C 21 0A 63 -8,-1.4 -8,-3.4 305,-0.1 2,-0.5 -0.909 47.6-176.9-158.6 127.9 -13.1 9.4 -36.2 30 30 A V E -C 20 0A 31 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.943 19.0-170.6-122.0 104.4 -13.9 10.8 -32.8 31 31 A E E -C 19 0A 88 -12,-2.9 -12,-2.1 -2,-0.5 2,-0.5 -0.868 16.6-145.2-108.3 113.8 -16.8 9.0 -31.1 32 32 A K E +C 18 0A 151 -2,-0.7 2,-0.4 -14,-0.2 -14,-0.3 -0.569 30.1 171.6 -70.7 117.2 -18.4 10.3 -27.9 33 33 A R - 0 0 86 -16,-1.8 2,-0.8 -2,-0.5 -2,-0.0 -0.986 32.7-129.5-134.8 124.5 -19.4 7.2 -26.0 34 34 A E + 0 0 175 -2,-0.4 2,-0.2 -18,-0.0 -16,-0.1 -0.640 61.6 107.6 -78.9 110.8 -20.7 7.3 -22.4 35 35 A C S S- 0 0 43 -2,-0.8 -18,-0.1 -29,-0.1 -2,-0.0 -0.817 76.4 -64.0-158.8-169.5 -18.7 4.7 -20.4 36 36 A I - 0 0 150 -2,-0.2 -29,-0.0 -19,-0.0 -2,-0.0 -0.865 57.5-117.1-100.7 117.1 -15.9 4.7 -17.7 37 37 A P - 0 0 66 0, 0.0 -31,-0.3 0, 0.0 -32,-0.1 -0.118 15.7-160.1 -55.7 141.0 -12.6 6.2 -18.8 38 38 A R S S- 0 0 135 -33,-3.1 2,-0.3 1,-0.3 -32,-0.2 0.754 70.3 -46.8 -89.0 -36.0 -9.2 4.3 -19.1 39 39 A G S S- 0 0 11 -34,-0.4 -32,-3.2 306,-0.1 2,-0.4 -0.924 72.3 -66.2-175.6-165.5 -7.0 7.4 -19.0 40 40 A V E -bE 7 344A 5 304,-2.9 304,-3.0 -2,-0.3 2,-0.5 -0.873 34.3-162.5-109.8 142.0 -6.8 10.9 -20.5 41 41 A L E +bE 8 343A 0 -34,-2.5 -32,-1.9 -2,-0.4 302,-0.2 -0.993 18.9 167.5-123.6 123.9 -6.0 11.5 -24.2 42 42 A X E - E 0 342A 0 300,-2.8 300,-2.8 -2,-0.5 -32,-0.1 -0.877 43.4 -82.8-131.9 165.3 -4.8 15.0 -25.2 43 43 A P E - 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