==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-13 4KNV . COMPND 2 MOLECULE: N-ACYLNEURAMINATE-9-PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.E.KLEI . 475 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 24 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.2 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 2 0 2 0 0 4 2 0 0 1 1 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 6 A X 0 0 118 0, 0.0 2,-0.3 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 142.2 44.0 82.5 62.2 2 7 A R - 0 0 56 117,-0.4 119,-2.2 235,-0.1 2,-0.3 -0.915 360.0-165.1-127.9 156.1 45.8 80.0 60.0 3 8 A A E -ab 121 179A 0 175,-1.9 177,-1.7 -2,-0.3 2,-0.4 -0.988 7.7-155.9-139.1 148.1 44.7 78.1 56.9 4 9 A V E -ab 122 180A 0 117,-2.4 119,-2.2 -2,-0.3 2,-0.5 -0.994 9.6-155.9-125.0 123.7 46.1 75.2 54.9 5 10 A F E -ab 123 181A 0 175,-3.5 177,-2.4 -2,-0.4 2,-0.4 -0.860 12.0-156.0 -95.1 133.2 45.3 74.7 51.2 6 11 A F E -ab 124 182A 0 117,-3.3 119,-3.0 -2,-0.5 177,-0.2 -0.921 10.6-138.3-112.3 134.3 45.6 71.1 49.9 7 12 A D - 0 0 9 175,-2.4 119,-0.2 -2,-0.4 5,-0.1 -0.365 18.2-153.8 -68.3 161.5 46.1 70.0 46.3 8 13 A L >>> + 0 0 0 117,-0.3 4,-2.6 3,-0.1 5,-1.4 0.847 62.0 73.0-106.2 -66.4 43.9 67.0 45.3 9 14 A D B 345S-f 13 0B 27 1,-0.3 175,-0.3 2,-0.2 5,-0.1 -0.341 120.1 -10.0 -63.8 121.3 45.2 64.7 42.6 10 15 A N T 345S+ 0 0 65 3,-2.0 -1,-0.3 -2,-0.2 4,-0.1 0.365 128.8 72.2 72.4 -6.7 48.1 62.6 43.7 11 16 A T T <45S+ 0 0 14 -3,-1.1 214,-0.2 2,-0.1 -2,-0.2 0.815 119.7 5.7 -94.6 -52.1 48.5 64.5 46.9 12 17 A L T <5S+ 0 0 9 -4,-2.6 94,-0.4 1,-0.2 2,-0.3 0.683 135.6 34.1-106.9 -25.0 45.3 63.2 48.7 13 18 A I B + 0 0 77 90,-0.4 4,-2.1 -2,-0.3 5,-0.1 -0.559 48.1 160.4 -85.6 78.8 46.0 58.2 44.0 15 20 A T H > S+ 0 0 8 -2,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.920 71.3 46.9 -66.8 -46.2 44.8 59.7 40.7 16 21 A A H > S+ 0 0 38 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 114.3 47.3 -64.8 -43.1 47.5 58.3 38.5 17 22 A G H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 110.5 53.4 -62.1 -41.3 47.1 54.8 40.0 18 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.888 109.7 48.3 -58.5 -43.7 43.3 55.1 39.6 19 24 A S H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 109.9 51.0 -64.8 -45.8 43.9 55.9 35.9 20 25 A R H X S+ 0 0 150 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 109.1 52.3 -53.7 -46.2 46.3 53.0 35.4 21 26 A R H X S+ 0 0 85 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.914 107.0 53.4 -55.3 -43.9 43.6 50.8 37.0 22 27 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.904 110.1 46.3 -60.2 -45.0 41.1 52.1 34.5 23 28 A X H X S+ 0 0 21 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.894 108.3 56.6 -63.0 -42.3 43.4 51.2 31.6 24 29 A L H X S+ 0 0 94 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 109.3 46.9 -56.6 -40.1 44.0 47.8 33.0 25 30 A E H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 111.4 49.3 -72.2 -39.6 40.3 47.2 33.0 26 31 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.918 109.4 52.9 -62.6 -43.8 39.8 48.5 29.5 27 32 A I H X S+ 0 0 28 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.942 109.5 49.4 -55.6 -47.5 42.6 46.2 28.3 28 33 A K H X S+ 0 0 121 -4,-2.0 4,-3.2 -5,-0.2 5,-0.4 0.918 111.7 49.7 -56.7 -45.9 40.9 43.3 30.0 29 34 A L H X>S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 5,-1.0 0.961 113.5 42.9 -58.2 -57.7 37.6 44.3 28.2 30 35 A L H X5S+ 0 0 0 -4,-3.0 6,-2.4 1,-0.2 4,-0.6 0.883 119.7 45.0 -58.6 -39.9 39.0 44.6 24.7 31 36 A Q H <5S+ 0 0 63 -4,-2.7 4,-0.5 -5,-0.3 -2,-0.2 0.925 123.5 31.5 -72.5 -44.1 41.1 41.4 25.2 32 37 A S H <5S+ 0 0 84 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.908 129.7 31.8 -81.6 -47.0 38.4 39.2 26.8 33 38 A K H <5S+ 0 0 59 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.834 134.8 26.3 -82.0 -33.4 35.2 40.5 25.2 34 39 A Y S < - 0 0 142 3,-0.0 3,-1.5 0, 0.0 4,-0.3 0.237 64.8 -26.6-104.6-120.9 45.5 41.1 21.4 38 43 A E T 3> S+ 0 0 115 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.593 120.5 83.0 -77.3 -6.3 48.2 43.8 22.0 39 44 A E H 3> S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.799 80.8 70.8 -59.7 -26.6 46.2 46.4 20.1 40 45 A A H <> S+ 0 0 0 -3,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.971 102.1 38.7 -51.8 -56.9 44.5 46.7 23.5 41 46 A E H > S+ 0 0 55 -4,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.857 113.2 57.3 -66.2 -33.3 47.6 48.4 25.0 42 47 A I H X S+ 0 0 81 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.953 109.1 44.8 -61.4 -49.4 48.3 50.4 21.9 43 48 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 113.4 50.0 -58.8 -50.2 44.9 52.0 22.0 44 49 A C H X S+ 0 0 3 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.4 53.4 -58.1 -41.6 45.1 52.7 25.7 45 50 A D H X S+ 0 0 107 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.921 108.0 51.3 -57.8 -45.1 48.5 54.3 25.2 46 51 A K H X S+ 0 0 69 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 109.3 49.1 -58.6 -44.8 47.1 56.6 22.6 47 52 A V H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.934 107.4 55.0 -62.3 -45.9 44.2 57.7 24.8 48 53 A Q H X S+ 0 0 92 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 109.8 47.7 -53.0 -45.0 46.7 58.4 27.6 49 54 A V H X S+ 0 0 63 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.934 111.9 48.6 -62.3 -46.1 48.6 60.7 25.3 50 55 A K H >X S+ 0 0 37 -4,-2.4 4,-0.8 1,-0.2 3,-0.6 0.925 110.8 51.3 -61.2 -45.3 45.5 62.4 24.1 51 56 A L H >< S+ 0 0 23 -4,-3.4 3,-1.2 1,-0.2 -1,-0.2 0.943 108.8 51.9 -52.7 -49.9 44.4 63.0 27.7 52 57 A S H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.743 106.7 55.3 -61.5 -25.3 47.8 64.4 28.5 53 58 A K H << S+ 0 0 154 -4,-1.3 -1,-0.2 -3,-0.6 2,-0.2 0.566 76.5 109.8 -90.4 -10.5 47.5 66.9 25.6 54 59 A E << + 0 0 48 -3,-1.2 -3,-0.0 -4,-0.8 -4,-0.0 -0.490 33.2 149.3 -64.7 132.4 44.2 68.6 26.5 55 60 A C + 0 0 121 -2,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.663 47.7 45.5-126.6 -61.8 44.9 72.1 27.6 56 61 A F + 0 0 163 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.760 54.1 124.6 -63.6-127.6 42.2 74.8 27.0 57 62 A H > + 0 0 31 3,-0.1 3,-2.9 1,-0.0 -1,-0.1 -0.575 36.5 101.1 115.5 -65.8 38.4 74.2 27.7 58 63 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.577 72.9 71.1 -39.7 -33.3 36.8 76.8 30.0 59 64 A Y T 3 S- 0 0 224 1,-0.2 2,-0.1 0, 0.0 -3,-0.0 0.893 129.2 -52.0 -50.8 -42.0 35.1 78.9 27.2 60 65 A N < + 0 0 131 -3,-2.9 2,-0.3 2,-0.0 -1,-0.2 -0.446 68.5 166.0 166.1 131.0 32.9 75.8 27.0 61 66 A T - 0 0 56 -3,-0.2 2,-0.7 -2,-0.1 3,-0.1 -0.996 32.9-141.6-148.7 146.4 33.4 72.0 26.7 62 67 A C > - 0 0 67 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.946 23.1-167.6-100.6 104.9 31.4 68.8 27.1 63 68 A I H > S+ 0 0 2 -2,-0.7 4,-2.6 1,-0.2 5,-0.3 0.876 82.4 59.1 -66.8 -35.5 34.2 66.7 28.6 64 69 A T H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 109.0 43.6 -57.9 -42.4 32.2 63.5 28.1 65 70 A D H > S+ 0 0 89 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.927 113.9 51.0 -69.9 -44.6 32.1 64.0 24.3 66 71 A L H X S+ 0 0 57 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.892 114.9 40.8 -58.5 -46.5 35.7 65.1 24.1 67 72 A R H X S+ 0 0 29 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.791 111.2 55.9 -79.1 -30.2 37.1 62.1 26.0 68 73 A T H X S+ 0 0 3 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.904 106.6 53.6 -63.1 -40.2 34.8 59.7 24.3 69 74 A S H X S+ 0 0 32 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.843 99.6 60.3 -64.4 -33.0 36.3 61.1 21.1 70 75 A H H X S+ 0 0 13 -4,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.935 109.6 43.6 -57.6 -45.6 39.8 60.3 22.3 71 76 A W H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.934 111.3 52.8 -64.2 -48.8 38.8 56.6 22.5 72 77 A E H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 12,-0.3 0.943 114.4 43.2 -51.8 -52.2 37.0 56.7 19.1 73 78 A E H X S+ 0 0 79 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.921 111.9 52.5 -58.2 -50.5 40.1 58.1 17.5 74 79 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.3 5,-0.3 0.894 110.4 48.9 -58.8 -41.3 42.5 55.8 19.3 75 80 A I H >X S+ 0 0 10 -4,-2.8 4,-3.2 1,-0.2 3,-0.6 0.956 116.1 42.3 -61.0 -49.0 40.5 52.8 18.2 76 81 A Q H 3X S+ 0 0 85 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.853 111.7 54.4 -68.8 -36.3 40.4 53.9 14.6 77 82 A E H 3< S+ 0 0 96 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.698 120.4 32.9 -70.2 -19.4 44.1 55.1 14.5 78 83 A T H << S+ 0 0 38 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.845 134.4 22.1-100.7 -52.5 45.1 51.6 15.7 79 84 A K H < S- 0 0 93 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.442 90.5-152.1 -99.4 -1.7 42.6 49.2 14.2 80 85 A G < + 0 0 36 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 -0.339 45.3 113.8 62.4-144.8 41.4 51.3 11.3 81 86 A G S S- 0 0 67 -4,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.173 80.1 -38.1 74.8-174.8 37.9 50.6 10.1 82 87 A A S S- 0 0 89 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.543 79.8 -84.4 -78.4 151.4 35.0 53.0 10.4 83 88 A A - 0 0 51 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.281 41.1-153.2 -57.2 138.7 34.8 55.1 13.5 84 89 A N > + 0 0 73 -12,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.790 20.8 172.3-122.4 88.8 33.0 53.2 16.3 85 90 A R H > S+ 0 0 65 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.849 78.4 56.8 -66.9 -35.3 31.3 55.5 18.8 86 91 A K H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.3 42.9 -63.0 -46.2 29.6 52.7 20.7 87 92 A L H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 111.3 56.8 -66.5 -37.0 32.8 50.9 21.5 88 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.925 109.3 46.0 -57.5 -46.2 34.4 54.3 22.3 89 94 A E H X S+ 0 0 43 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.905 108.9 54.7 -63.2 -43.8 31.7 54.8 24.9 90 95 A E H X S+ 0 0 19 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.923 114.2 41.3 -59.2 -42.3 32.1 51.3 26.3 91 96 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.949 114.4 51.1 -68.0 -51.2 35.8 51.9 26.9 92 97 A Y H X S+ 0 0 2 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.928 112.0 44.6 -53.0 -53.8 35.4 55.5 28.2 93 98 A F H X S+ 0 0 20 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.778 113.1 51.6 -70.9 -23.9 32.8 54.8 30.8 94 99 A L H X S+ 0 0 40 -4,-1.1 4,-2.3 -5,-0.3 5,-0.2 0.933 112.9 45.4 -73.1 -46.2 34.6 51.6 31.9 95 100 A W H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.942 116.6 46.7 -57.3 -48.4 37.9 53.7 32.3 96 101 A K H X S+ 0 0 23 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.939 114.9 43.0 -63.1 -50.1 36.0 56.5 34.1 97 102 A S H X S+ 0 0 21 -4,-2.1 4,-2.2 310,-0.3 -1,-0.2 0.907 114.0 52.4 -67.3 -39.5 34.0 54.4 36.5 98 103 A T H X S+ 0 0 15 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.928 111.9 45.9 -58.9 -45.0 37.0 52.2 37.3 99 104 A R H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.2 3,-0.4 0.948 111.9 49.5 -68.4 -45.4 39.1 55.2 38.1 100 105 A L H < S+ 0 0 32 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.867 109.6 53.2 -61.9 -37.2 36.5 56.9 40.3 101 106 A Q H < S+ 0 0 132 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.853 107.2 52.5 -61.7 -37.8 36.0 53.7 42.2 102 107 A H H < S+ 0 0 74 -4,-1.5 2,-0.7 -3,-0.4 -88,-0.2 0.699 88.3 94.7 -74.0 -20.7 39.8 53.6 42.9 103 108 A X < + 0 0 1 -4,-1.2 2,-0.3 -3,-0.3 -90,-0.1 -0.627 51.6 141.7 -82.0 114.5 39.9 57.1 44.3 104 109 A T - 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