==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-APR-13 4KH2 . COMPND 2 MOLECULE: ALPHA-L-IDURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.BIE,J.YIN,X.HE,A.R.KERMODE,E.D.GODDARD-BORGER,S.G.WITHERS, . 1202 7 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 0.2 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 . 109 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 0 2 1 3 0 2 4 0 0 0 1 3 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 5 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 PARALLEL BRIDGES PER LADDER . 8 9 8 2 0 4 0 8 2 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 . 5 3 1 2 2 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 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 28 A A 0 0 97 0, 0.0 414,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 32.0 -76.4 3.2 2 29 A P - 0 0 70 0, 0.0 366,-0.7 0, 0.0 2,-0.5 -0.145 360.0-110.0 -70.6 159.2 28.7 -77.7 1.7 3 30 A H E -Ab 367 416A 19 412,-2.5 414,-2.8 364,-0.2 2,-0.6 -0.766 26.4-145.9 -86.8 130.3 26.7 -80.7 2.9 4 31 A L E -Ab 366 417A 45 362,-4.0 362,-2.1 -2,-0.5 2,-0.6 -0.884 13.4-170.9-100.1 116.6 26.7 -83.7 0.6 5 32 A V E -Ab 365 418A 0 412,-3.0 414,-2.8 -2,-0.6 2,-0.4 -0.942 7.4-172.0-109.0 117.3 23.4 -85.6 0.6 6 33 A Q E -Ab 364 419A 44 358,-2.6 358,-2.1 -2,-0.6 2,-0.4 -0.928 4.4-174.8-117.3 131.5 23.7 -88.9 -1.4 7 34 A V E -Ab 363 420A 2 412,-2.2 414,-2.2 -2,-0.4 2,-0.7 -0.993 13.1-156.7-131.0 129.6 20.8 -91.1 -2.2 8 35 A D E > -Ab 362 421A 41 354,-2.5 3,-1.2 -2,-0.4 354,-0.8 -0.882 6.3-175.0-108.7 103.4 20.8 -94.6 -3.9 9 36 A A E 3 S+ 0 0 5 412,-3.0 413,-0.2 -2,-0.7 3,-0.1 0.531 83.9 60.2 -74.0 -7.6 17.5 -95.4 -5.6 10 37 A A E 3 S+ 0 0 72 411,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.562 91.0 74.7 -93.3 -11.8 18.7 -98.9 -6.5 11 38 A R E < + 0 0 122 -3,-1.2 351,-1.2 351,-0.1 2,-1.1 -0.648 55.5 176.3-109.5 74.6 19.3 -99.8 -2.8 12 39 A A E +A 361 0A 49 -2,-0.8 349,-0.2 349,-0.2 348,-0.1 -0.680 12.6 178.9 -74.3 99.3 15.9 -100.5 -1.2 13 40 A L E - 0 0 59 347,-1.9 -1,-0.2 -2,-1.1 348,-0.1 0.991 48.5 -21.7 -73.7 -67.2 17.3 -101.6 2.2 14 41 A W E S-A 360 0A 72 346,-0.6 346,-2.6 1,-0.0 -1,-0.2 -0.871 81.5 -69.7-141.5 168.4 14.4 -102.4 4.6 15 42 A P E -A 359 0A 71 0, 0.0 2,-0.6 0, 0.0 344,-0.3 -0.346 39.4-144.9 -64.6 145.9 10.7 -101.5 4.9 16 43 A L - 0 0 5 342,-2.5 2,-0.4 368,-0.2 279,-0.0 -0.960 15.8-163.3-111.5 113.9 9.8 -98.0 5.9 17 44 A R - 0 0 169 -2,-0.6 2,-1.7 273,-0.0 3,-0.1 -0.806 23.3-128.2 -99.6 136.9 6.7 -97.7 8.1 18 45 A R > + 0 0 53 -2,-0.4 3,-0.6 1,-0.2 340,-0.0 -0.609 44.0 159.2 -82.0 83.9 4.8 -94.5 8.7 19 46 A F T 3 + 0 0 11 -2,-1.7 287,-3.2 1,-0.2 -1,-0.2 0.330 59.7 66.2 -91.1 4.6 4.9 -94.7 12.5 20 47 A W T 3 + 0 0 0 285,-0.2 2,-2.0 1,-0.1 288,-0.3 0.240 59.6 116.8-111.8 8.2 4.3 -91.0 13.0 21 48 A R < + 0 0 51 -3,-0.6 31,-2.7 30,-0.1 32,-1.5 -0.246 56.0 96.7 -82.4 52.5 0.7 -90.7 11.7 22 49 A S E +k 53 0B 2 -2,-2.0 286,-0.9 284,-0.5 2,-0.2 -0.974 40.3 170.9-140.0 149.4 -0.9 -89.7 15.0 23 50 A T E -k 54 0B 0 30,-2.9 32,-3.1 -2,-0.3 2,-0.3 -0.810 10.4-172.2-138.7-175.8 -1.9 -86.5 16.9 24 51 A G E -k 55 0B 0 284,-0.4 287,-3.1 30,-0.3 288,-0.4 -0.988 8.3-175.6-168.8 170.4 -3.8 -85.8 20.1 25 52 A F E -k 56 0B 0 30,-1.8 32,-2.0 -2,-0.3 285,-0.1 -0.979 19.0-128.7-164.0 172.7 -5.5 -83.3 22.4 26 53 A C - 0 0 37 -2,-0.3 32,-0.1 30,-0.2 30,-0.1 -0.996 24.8-123.7-130.4 133.0 -7.3 -82.7 25.8 27 54 A P 0 0 29 0, 0.0 31,-0.0 0, 0.0 285,-0.0 -0.369 360.0 360.0 -67.9 157.2 -10.6 -80.8 26.4 28 55 A P 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.232 360.0 360.0 -90.2 360.0 -10.6 -77.9 28.8 29 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 64 A Y > 0 0 97 0, 0.0 3,-1.2 0, 0.0 6,-0.5 0.000 360.0 360.0 360.0 -46.4 -16.1 -78.5 23.4 31 65 A V T 3 + 0 0 8 1,-0.2 0, 0.0 5,-0.1 0, 0.0 0.605 360.0 47.6 -67.4 -12.6 -15.3 -81.6 21.2 32 66 A L T 3 S+ 0 0 65 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.438 85.7 113.7-108.1 -2.3 -18.6 -81.0 19.3 33 67 A S S <> S- 0 0 43 -3,-1.2 4,-1.9 1,-0.1 3,-0.2 -0.191 83.1-106.8 -67.0 161.5 -18.3 -77.3 18.6 34 68 A W H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.776 119.2 62.7 -60.4 -26.0 -17.9 -75.9 15.1 35 69 A D H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.957 105.1 42.5 -62.4 -54.3 -14.3 -75.2 16.0 36 70 A Q H > S+ 0 0 0 -6,-0.5 4,-2.5 1,-0.2 5,-0.3 0.842 109.8 59.0 -62.8 -35.7 -13.4 -78.8 16.6 37 71 A Q H X S+ 0 0 64 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.892 110.5 42.5 -60.2 -39.6 -15.3 -79.8 13.5 38 72 A L H X S+ 0 0 2 -4,-1.7 4,-1.7 -3,-0.2 -2,-0.2 0.889 112.0 55.2 -72.1 -41.0 -13.1 -77.5 11.5 39 73 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 109.3 44.2 -58.3 -47.7 -9.9 -78.7 13.3 40 74 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.676 108.4 59.2 -77.2 -18.3 -10.5 -82.4 12.6 41 75 A A H X S+ 0 0 0 -4,-0.7 4,-0.9 -5,-0.3 -1,-0.2 0.866 108.8 45.1 -72.9 -36.9 -11.3 -81.5 9.0 42 76 A Y H >< S+ 0 0 2 -4,-1.7 3,-0.5 2,-0.2 4,-0.4 0.941 114.7 47.6 -67.7 -50.3 -7.9 -79.9 8.7 43 77 A V H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 8,-0.3 0.928 113.9 47.9 -53.5 -49.5 -6.3 -82.9 10.5 44 78 A G H 3< S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 5,-0.2 0.712 100.8 67.7 -65.1 -21.0 -8.2 -85.3 8.2 45 79 A A T << + 0 0 0 -4,-0.9 516,-2.5 -3,-0.5 -1,-0.2 0.518 65.8 115.0 -82.9 -7.4 -7.1 -83.3 5.1 46 80 A V S <> S- 0 0 3 -3,-1.3 4,-0.7 -4,-0.4 5,-0.5 -0.542 78.3-110.1 -61.5 120.4 -3.5 -84.3 5.4 47 81 A P T >4 S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.077 87.3 16.1 -65.9 156.5 -3.1 -86.3 2.2 48 82 A H T 34 S- 0 0 26 1,-0.3 -3,-0.1 2,-0.1 -2,-0.0 0.865 132.3 -58.5 54.2 46.7 -2.6 -90.1 1.9 49 83 A R T 34 S+ 0 0 79 -3,-0.4 -1,-0.3 -5,-0.2 3,-0.1 0.778 83.6 164.3 55.2 34.2 -3.7 -90.8 5.5 50 84 A G S << S+ 0 0 0 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.1 0.747 71.9 29.7 -53.4 -35.0 -0.9 -88.5 6.7 51 85 A I + 0 0 4 -5,-0.5 -29,-0.2 -8,-0.3 -1,-0.2 -0.980 69.6 164.5-126.1 121.2 -2.5 -88.3 10.2 52 86 A K + 0 0 59 -31,-2.7 35,-2.9 -2,-0.4 2,-0.4 0.786 54.9 48.1-105.7 -34.7 -4.5 -91.4 11.1 53 87 A Q E -kl 22 87B 15 -32,-1.5 -30,-2.9 33,-0.2 2,-0.6 -0.916 52.2-161.0-123.7 137.4 -5.2 -91.3 14.9 54 88 A V E -kl 23 88B 0 33,-2.7 35,-1.9 -2,-0.4 2,-1.1 -0.889 15.6-151.3-116.7 99.5 -6.4 -88.6 17.3 55 89 A R E -kl 24 89B 0 -32,-3.1 -30,-1.8 -2,-0.6 2,-0.5 -0.574 24.4-171.0 -75.3 100.5 -5.5 -89.5 20.9 56 90 A T E > -kl 25 90B 1 -2,-1.1 35,-0.7 33,-0.9 3,-0.5 -0.835 12.9-140.9-108.8 122.6 -8.3 -87.8 22.8 57 91 A H T 3 S+ 0 0 12 -32,-2.0 83,-0.0 -2,-0.5 37,-0.0 -0.245 77.4 19.2 -70.1 162.7 -8.5 -87.4 26.6 58 92 A W T > + 0 0 32 1,-0.1 3,-1.5 2,-0.1 4,-0.3 0.708 66.0 152.8 51.1 34.8 -11.7 -87.7 28.7 59 93 A L G X + 0 0 1 -3,-0.5 3,-0.8 32,-0.4 35,-0.2 0.732 68.4 61.7 -64.3 -22.3 -13.7 -89.7 26.2 60 94 A L G 3 S+ 0 0 1 33,-2.6 36,-2.1 1,-0.2 37,-0.5 0.093 88.2 68.2 -97.0 24.4 -15.7 -91.3 29.0 61 95 A E G < S+ 0 0 59 -3,-1.5 -1,-0.2 32,-0.2 -2,-0.2 0.372 85.9 72.5-105.3 -7.4 -17.1 -88.0 30.2 62 96 A L S < S+ 0 0 32 -3,-0.8 12,-1.7 -4,-0.3 2,-0.4 0.131 90.8 72.8 -87.4 15.8 -19.0 -88.0 26.9 63 97 A V - 0 0 0 10,-0.2 2,-0.3 11,-0.1 8,-0.2 -0.998 67.7-161.8-135.3 129.7 -21.2 -90.7 28.5 64 98 A T B M 70 0C 59 6,-1.4 6,-2.6 -2,-0.4 33,-0.2 -0.779 360.0 360.0-112.4 155.2 -23.8 -90.2 31.2 65 99 A T 0 0 83 31,-0.5 3,-0.3 -2,-0.3 -1,-0.1 0.637 360.0 360.0-114.9 360.0 -25.6 -92.5 33.7 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 107 A L 0 0 132 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 114.6 -27.7 -99.2 35.2 68 108 A S - 0 0 92 -3,-0.3 2,-0.4 2,-0.0 47,-0.0 -0.792 360.0-129.8-131.5 172.7 -27.7 -97.8 31.6 69 109 A Y - 0 0 36 -2,-0.2 2,-0.7 46,-0.0 -4,-0.2 -0.979 5.8-142.1-135.6 134.4 -25.7 -95.3 29.6 70 110 A N B +M 64 0C 86 -6,-2.6 -6,-1.4 -2,-0.4 4,-0.2 -0.854 21.0 176.4 -92.5 115.1 -26.4 -92.3 27.3 71 111 A F > + 0 0 24 -2,-0.7 4,-3.0 -8,-0.2 5,-0.3 0.340 42.3 113.8 -99.9 5.0 -23.9 -92.5 24.4 72 112 A T H > S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.846 80.9 39.8 -48.6 -51.3 -25.2 -89.5 22.4 73 113 A H H > S+ 0 0 114 -11,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 115.8 49.6 -69.3 -45.9 -22.1 -87.2 22.8 74 114 A L H > S+ 0 0 0 -12,-1.7 4,-2.4 1,-0.2 5,-0.2 0.905 109.7 53.5 -56.4 -43.8 -19.5 -90.0 22.5 75 115 A D H X S+ 0 0 11 -4,-3.0 4,-2.1 -13,-0.2 -1,-0.2 0.859 107.4 54.9 -54.5 -39.2 -21.4 -91.0 19.3 76 116 A G H X S+ 0 0 23 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.963 109.7 41.6 -61.2 -57.5 -21.0 -87.4 18.2 77 117 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 115.7 49.9 -59.7 -44.8 -17.2 -87.2 18.5 78 118 A L H X S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.871 108.9 51.3 -65.5 -38.8 -16.6 -90.6 17.0 79 119 A D H X S+ 0 0 62 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.887 109.2 52.9 -62.2 -39.0 -18.8 -89.9 14.0 80 120 A L H X S+ 0 0 12 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.911 112.4 43.7 -62.4 -44.9 -16.8 -86.7 13.5 81 121 A L H ><>S+ 0 0 1 -4,-2.2 5,-1.9 1,-0.2 3,-1.0 0.964 113.7 50.8 -60.9 -52.9 -13.6 -88.7 13.6 82 122 A R H ><5S+ 0 0 79 -4,-3.3 3,-1.0 1,-0.3 -2,-0.2 0.816 108.0 53.1 -56.5 -35.1 -15.1 -91.4 11.3 83 123 A E H 3<5S+ 0 0 94 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.766 108.4 50.2 -73.7 -25.6 -16.2 -88.7 8.8 84 124 A N T <<5S- 0 0 9 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.222 119.7-108.0 -94.9 14.8 -12.7 -87.2 8.6 85 125 A Q T < 5S+ 0 0 17 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.937 77.8 133.9 55.6 51.0 -11.1 -90.7 8.0 86 126 A L < - 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