==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-06 2IXB . COMPND 2 MOLECULE: ALPHA-N-ACETYLGALACTOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM MENINGOSEPTICUM; . AUTHOR G.SULZENBACHER,Q.P.LIU,Y.BOURNE,B.HENRISSAT,H.CLAUSEN . 426 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 9.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 1 1 0 0 4 2 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 0 1 1 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 . 1 2 1 2 0 1 1 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 1 0 0 1 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 19 A K 0 0 248 0, 0.0 2,-0.3 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -38.6 -11.6 60.7 -22.6 2 20 A K - 0 0 86 25,-0.0 2,-0.3 1,-0.0 25,-0.2 -0.777 360.0-106.1-109.8 151.3 -13.3 58.6 -19.9 3 21 A V E -a 27 0A 6 23,-2.4 25,-2.6 -2,-0.3 2,-0.8 -0.558 21.5-141.1 -84.4 130.0 -11.7 56.1 -17.5 4 22 A R E -a 28 0A 77 -2,-0.3 71,-2.7 69,-0.2 72,-1.8 -0.797 28.1-176.2 -94.0 109.9 -12.1 52.3 -18.1 5 23 A I E -ab 29 76A 0 23,-2.2 25,-2.0 -2,-0.8 26,-0.5 -0.847 10.5-176.0-113.4 140.4 -12.6 50.6 -14.7 6 24 A A E -ab 31 77A 0 70,-1.8 72,-2.0 -2,-0.4 2,-0.5 -0.827 18.1-130.1-127.2 169.8 -12.9 47.0 -13.7 7 25 A F E -ab 32 78A 0 24,-1.9 26,-2.4 -2,-0.3 2,-0.9 -0.969 6.8-160.0-132.3 116.2 -13.5 45.2 -10.4 8 26 A I E S+ab 33 79A 1 70,-2.5 72,-2.4 -2,-0.5 26,-0.2 -0.881 85.7 9.2 -90.2 105.8 -11.7 42.3 -8.7 9 27 A A - 0 0 12 24,-2.5 71,-0.2 -2,-0.9 -1,-0.2 0.660 60.6-161.9 89.0 114.8 -14.4 41.1 -6.3 10 28 A V + 0 0 0 4,-0.1 33,-0.2 26,-0.1 32,-0.1 -0.367 43.4 132.9-121.5 51.4 -18.0 42.4 -6.4 11 29 A G S > S- 0 0 15 69,-0.4 4,-2.8 31,-0.1 5,-0.2 0.125 82.1 -58.6 -75.2-157.6 -19.1 41.4 -2.9 12 30 A L H > S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.855 141.4 38.4 -64.8 -35.2 -20.9 43.8 -0.7 13 31 A R H > S+ 0 0 64 67,-0.2 4,-1.6 2,-0.2 3,-0.4 0.892 113.9 54.4 -81.6 -41.4 -18.1 46.4 -0.6 14 32 A G H > S+ 0 0 0 66,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.913 104.0 57.9 -52.7 -44.3 -17.2 45.9 -4.3 15 33 A Q H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.846 101.3 55.3 -54.5 -40.1 -20.9 46.6 -5.1 16 34 A T H X S+ 0 0 47 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.924 109.1 46.5 -59.8 -46.4 -20.6 50.1 -3.4 17 35 A H H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.854 109.0 56.0 -63.7 -36.9 -17.7 51.0 -5.6 18 36 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.935 108.0 48.1 -59.8 -47.7 -19.7 49.7 -8.6 19 37 A E H X S+ 0 0 36 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.889 109.8 51.9 -60.5 -42.9 -22.5 52.1 -7.7 20 38 A N H < S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.9 40.8 -60.8 -43.0 -20.2 55.1 -7.3 21 39 A M H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.851 109.8 58.7 -73.3 -35.9 -18.7 54.4 -10.8 22 40 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.749 101.7 56.3 -65.8 -25.4 -22.0 53.7 -12.4 23 41 A R T 3< S+ 0 0 104 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.3 0.510 94.3 86.5 -84.5 -5.3 -23.3 57.1 -11.3 24 42 A R < - 0 0 25 -3,-1.3 3,-0.4 -4,-0.2 -3,-0.0 -0.759 60.3-157.5-100.2 144.7 -20.4 58.9 -13.2 25 43 A D S S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.498 91.9 64.7 -91.1 -8.5 -20.4 59.9 -16.9 26 44 A D S S+ 0 0 35 -24,-0.1 -23,-2.4 -5,-0.1 2,-0.3 0.148 96.8 66.6 -99.5 18.3 -16.5 60.0 -16.9 27 45 A V E -a 3 0A 5 -3,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.991 59.9-158.3-139.5 142.9 -16.2 56.3 -16.3 28 46 A E E -a 4 0A 56 -25,-2.6 -23,-2.2 -2,-0.3 2,-0.9 -0.995 16.9-142.6-120.8 124.3 -17.0 53.1 -18.2 29 47 A I E +a 5 0A 10 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.753 27.3 171.8 -87.1 104.1 -17.4 49.9 -16.2 30 48 A V E - 0 0 24 -25,-2.0 26,-2.2 -2,-0.9 2,-0.3 0.942 49.6 -1.0 -83.7 -48.9 -15.8 47.2 -18.4 31 49 A A E -ac 6 56A 2 -26,-0.5 -24,-1.9 24,-0.3 2,-0.3 -0.969 44.9-147.0-150.7 154.6 -15.6 44.0 -16.4 32 50 A F E -ac 7 57A 0 24,-2.9 26,-2.6 -2,-0.3 2,-0.4 -0.953 7.5-163.7-118.2 143.5 -16.2 42.1 -13.1 33 51 A A E +ac 8 58A 8 -26,-2.4 -24,-2.5 -2,-0.3 26,-0.2 -0.920 35.8 129.5-127.0 106.0 -14.1 39.2 -11.7 34 52 A D - 0 0 17 24,-0.9 6,-0.1 -2,-0.4 27,-0.1 -0.922 47.7-149.3-157.7 126.2 -15.9 37.2 -8.9 35 53 A P S S+ 0 0 65 0, 0.0 26,-0.2 0, 0.0 24,-0.1 0.580 80.2 86.8 -74.2 -9.2 -16.5 33.4 -8.5 36 54 A D > - 0 0 37 1,-0.1 4,-1.9 25,-0.1 3,-0.2 -0.833 61.7-163.2 -96.0 109.7 -19.8 34.0 -6.7 37 55 A P H > S+ 0 0 109 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.805 87.9 57.4 -60.5 -33.5 -22.7 34.3 -9.2 38 56 A Y H > S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.913 108.0 46.4 -63.6 -44.6 -25.1 35.8 -6.7 39 57 A M H > S+ 0 0 12 -3,-0.2 4,-1.6 1,-0.2 3,-0.2 0.916 111.6 51.0 -64.3 -45.1 -22.7 38.7 -6.0 40 58 A V H X S+ 0 0 13 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.873 106.2 57.8 -58.3 -38.0 -22.1 39.3 -9.7 41 59 A G H X S+ 0 0 36 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.865 106.0 45.9 -62.8 -40.8 -25.9 39.4 -10.2 42 60 A R H X S+ 0 0 85 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.2 0.831 111.8 53.1 -72.9 -32.9 -26.5 42.3 -7.8 43 61 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.878 108.0 50.3 -66.0 -41.0 -23.6 44.2 -9.3 44 62 A Q H X S+ 0 0 44 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.785 107.3 55.1 -65.6 -29.5 -25.1 43.8 -12.8 45 63 A E H X S+ 0 0 109 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.780 102.5 56.3 -74.1 -27.9 -28.4 45.1 -11.4 46 64 A I H X S+ 0 0 12 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.874 108.7 47.0 -69.4 -40.2 -26.6 48.2 -10.1 47 65 A L H <>S+ 0 0 0 -4,-1.4 5,-2.5 2,-0.2 3,-0.4 0.921 112.5 48.9 -62.4 -47.9 -25.4 48.9 -13.7 48 66 A K H ><5S+ 0 0 155 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.869 108.4 54.8 -61.9 -39.1 -28.9 48.3 -15.1 49 67 A K H 3<5S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 110.4 46.2 -62.1 -32.9 -30.4 50.6 -12.5 50 68 A N T 3<5S- 0 0 48 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.298 117.1-110.0 -96.6 9.1 -28.0 53.4 -13.6 51 69 A G T < 5S+ 0 0 70 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.728 74.2 133.7 71.6 22.8 -28.6 53.0 -17.3 52 70 A K < - 0 0 59 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.786 59.4-106.6-103.4 150.3 -25.1 51.6 -18.0 53 71 A K - 0 0 115 -2,-0.3 -24,-0.1 1,-0.1 -1,-0.1 -0.351 47.2 -82.9 -74.1 155.8 -24.6 48.5 -20.1 54 72 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.007 40.8-120.4 -56.0 160.7 -23.6 45.1 -18.6 55 73 A A - 0 0 8 -24,-0.0 -24,-0.3 1,-0.0 2,-0.3 -0.748 26.9-104.8 -99.5 149.9 -20.0 44.1 -17.6 56 74 A K E -c 31 0A 142 -26,-2.2 -24,-2.9 -2,-0.3 2,-0.5 -0.587 42.3-137.6 -69.5 136.2 -18.0 41.2 -19.0 57 75 A V E -c 32 0A 63 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.875 22.3-170.7-109.4 128.6 -18.0 38.6 -16.2 58 76 A F E +c 33 0A 28 -26,-2.6 -24,-0.9 -2,-0.5 6,-0.1 -0.833 32.0 144.2-112.5 87.9 -14.9 36.5 -15.2 59 77 A G + 0 0 34 -2,-0.6 2,-1.5 -26,-0.2 -1,-0.1 0.204 24.2 117.2-114.5 13.8 -16.6 34.0 -12.8 60 78 A N S S- 0 0 135 -3,-0.1 3,-0.3 4,-0.1 4,-0.1 -0.621 85.8 -58.7 -88.8 79.9 -14.6 30.8 -13.5 61 79 A G S > S- 0 0 38 -2,-1.5 3,-0.8 -26,-0.2 4,-0.1 -0.085 78.3 -54.9 80.2-176.2 -12.9 30.1 -10.2 62 80 A N T 3 S+ 0 0 95 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.722 128.8 53.9 -72.5 -24.8 -10.6 32.1 -8.0 63 81 A D T > S+ 0 0 85 -3,-0.3 3,-1.5 1,-0.2 4,-0.4 0.348 74.3 99.9 -96.9 4.9 -7.9 32.7 -10.7 64 82 A D T X> + 0 0 20 -3,-0.8 4,-1.3 1,-0.3 3,-0.7 0.650 66.2 75.8 -71.2 -15.2 -10.1 34.2 -13.4 65 83 A Y H 3> S+ 0 0 8 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.811 85.7 66.1 -58.9 -31.2 -9.0 37.7 -12.5 66 84 A K H <4 S+ 0 0 106 -3,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.830 101.8 46.0 -59.8 -36.6 -5.8 36.8 -14.3 67 85 A N H X4 S+ 0 0 70 -3,-0.7 3,-0.6 -4,-0.4 -1,-0.2 0.820 109.6 54.1 -76.2 -33.9 -7.7 36.7 -17.6 68 86 A M H >< S+ 0 0 0 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.850 101.8 59.4 -65.5 -36.2 -9.5 39.9 -16.9 69 87 A L T 3< S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.633 90.8 70.4 -70.7 -14.2 -6.2 41.7 -16.4 70 88 A K T < S+ 0 0 149 -3,-0.6 2,-0.7 -4,-0.3 -1,-0.3 0.580 71.7 106.6 -75.3 -12.3 -5.1 40.8 -19.9 71 89 A D X - 0 0 50 -3,-1.5 3,-1.2 -4,-0.2 -3,-0.0 -0.617 58.1-161.0 -73.2 109.8 -7.6 43.3 -21.3 72 90 A K T 3 S+ 0 0 195 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.0 0.654 84.0 69.7 -66.1 -18.5 -5.6 46.2 -22.6 73 91 A N T 3 S+ 0 0 114 2,-0.0 2,-0.2 -68,-0.0 -1,-0.2 0.796 76.1 96.5 -67.7 -31.2 -8.7 48.5 -22.5 74 92 A I < + 0 0 4 -3,-1.2 -69,-0.2 -6,-0.2 3,-0.1 -0.461 46.7 179.5 -69.2 125.0 -8.8 48.5 -18.6 75 93 A D + 0 0 68 -71,-2.7 24,-2.0 1,-0.3 2,-0.3 0.854 66.0 1.5 -89.4 -44.8 -7.1 51.6 -17.1 76 94 A A E -bd 5 99A 0 -72,-1.8 -70,-1.8 22,-0.2 2,-0.3 -0.942 60.6-150.2-143.9 158.1 -7.7 50.9 -13.4 77 95 A V E -bd 6 100A 0 22,-2.8 24,-2.6 -2,-0.3 2,-0.5 -0.981 12.1-137.8-132.4 149.0 -9.2 48.3 -11.1 78 96 A F E -bd 7 101A 0 -72,-2.0 -70,-2.5 -2,-0.3 2,-0.6 -0.912 16.9-153.5 -97.0 130.2 -10.9 48.3 -7.6 79 97 A V E +bd 8 102A 0 22,-3.0 24,-2.1 -2,-0.5 -70,-0.2 -0.931 29.3 156.0-107.9 112.5 -9.8 45.4 -5.4 80 98 A S + 0 0 16 -72,-2.4 -66,-0.4 -2,-0.6 -69,-0.4 -0.253 31.0 129.6-130.3 41.0 -12.5 44.5 -2.8 81 99 A S - 0 0 8 1,-0.2 5,-0.1 -73,-0.1 -2,-0.0 -0.314 67.5 -69.2 -90.8 171.9 -11.6 40.9 -2.1 82 100 A P >> - 0 0 33 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.254 53.8-103.6 -56.6 155.8 -11.1 39.1 1.3 83 101 A W G >4 S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.842 120.9 54.8 -52.9 -46.1 -8.0 40.1 3.3 84 102 A E G 34 S+ 0 0 78 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.631 109.5 50.3 -64.1 -16.1 -6.0 37.0 2.4 85 103 A W G <> S+ 0 0 55 -3,-2.0 4,-2.0 2,-0.1 5,-0.3 0.480 85.1 89.6 -99.0 -5.7 -6.6 37.8 -1.3 86 104 A H H S+ 0 0 45 -4,-0.5 4,-2.4 2,-0.2 5,-0.4 0.924 113.8 47.8 -61.1 -50.4 -1.8 41.0 -2.0 88 106 A E H > S+ 0 0 81 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.916 117.8 42.0 -60.3 -44.2 -2.2 38.5 -4.9 89 107 A H H X S+ 0 0 14 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.899 115.7 49.2 -70.6 -41.9 -4.9 40.6 -6.6 90 108 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.903 114.1 41.8 -65.8 -46.6 -3.1 44.0 -6.0 91 109 A V H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.856 112.6 54.1 -73.5 -35.2 0.4 43.0 -7.3 92 110 A A H X S+ 0 0 26 -4,-1.4 4,-1.4 -5,-0.4 -1,-0.2 0.866 109.3 50.9 -63.0 -36.3 -1.0 41.1 -10.3 93 111 A A H <>S+ 0 0 0 -4,-1.5 5,-2.7 2,-0.2 -2,-0.2 0.929 110.9 46.0 -65.9 -49.2 -3.0 44.2 -11.2 94 112 A M H ><5S+ 0 0 1 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.849 111.7 52.6 -63.1 -36.7 0.1 46.5 -11.1 95 113 A K H 3<5S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.4 52.9 -69.2 -32.3 2.2 44.0 -13.0 96 114 A A T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.438 125.7-106.9 -78.5 -1.5 -0.5 43.9 -15.7 97 115 A G T < 5S+ 0 0 45 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.768 72.2 142.2 82.9 29.5 -0.2 47.7 -15.8 98 116 A K < - 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