==== 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 4KGL . 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, . 1207 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 18.0 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 2 0 0 2 2 2 1 1 4 0 0 0 0 1 5 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 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 7 7 3 1 4 0 9 1 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 2 1 2 1 0 0 1 1 1 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 0 100 0, 0.0 414,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.4 309.5 -65.9 0.3 2 29 A P - 0 0 69 0, 0.0 366,-0.7 0, 0.0 2,-0.4 -0.028 360.0-115.7 -63.9 158.8 312.4 -63.8 1.7 3 30 A H E -Ab 367 416A 16 412,-2.3 414,-2.4 364,-0.2 2,-0.5 -0.828 29.4-145.3 -88.9 135.1 316.0 -63.5 0.3 4 31 A L E -Ab 366 417A 47 362,-4.0 362,-2.4 -2,-0.4 2,-0.5 -0.909 12.1-167.5-107.3 125.3 318.6 -64.8 2.8 5 32 A V E -Ab 365 418A 0 412,-2.6 414,-3.6 -2,-0.5 2,-0.4 -0.963 6.7-169.9-114.5 120.5 322.0 -63.2 3.0 6 33 A Q E -Ab 364 419A 37 358,-2.3 358,-2.0 -2,-0.5 2,-0.4 -0.934 4.2-174.4-114.4 130.9 324.7 -65.0 4.9 7 34 A V E -Ab 363 420A 0 412,-2.4 414,-2.6 -2,-0.4 2,-0.7 -0.990 11.7-161.6-128.3 127.9 328.0 -63.6 5.9 8 35 A D E > -Ab 362 421A 45 354,-2.1 354,-1.0 -2,-0.4 3,-0.5 -0.902 6.0-175.5-108.1 102.5 330.9 -65.5 7.5 9 36 A A E 3 S+ 0 0 5 412,-3.1 413,-0.2 -2,-0.7 -1,-0.1 0.676 82.3 57.5 -73.8 -19.7 333.3 -62.9 9.1 10 37 A A E 3 S+ 0 0 74 411,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.754 91.6 75.8 -79.4 -27.2 335.8 -65.6 10.1 11 38 A R E < + 0 0 128 -3,-0.5 2,-1.2 351,-0.1 351,-1.1 -0.565 61.3 178.8 -89.5 73.0 336.2 -66.8 6.5 12 39 A A E -A 361 0A 44 -2,-1.4 349,-0.2 349,-0.2 -3,-0.1 -0.637 10.5-177.1 -73.9 97.2 338.4 -64.1 5.0 13 40 A L E - 0 0 59 347,-1.5 -1,-0.2 -2,-1.2 348,-0.1 0.992 42.8 -27.5 -67.5 -77.2 338.7 -65.6 1.5 14 41 A W E S- 0 0 71 346,-0.4 346,-2.6 347,-0.0 -1,-0.2 -0.859 78.8 -63.6-138.6 169.0 340.9 -63.6 -0.8 15 42 A P E -A 359 0A 75 0, 0.0 2,-0.6 0, 0.0 344,-0.3 -0.327 42.0-152.1 -55.4 134.1 342.1 -60.0 -1.4 16 43 A L - 0 0 4 342,-2.5 2,-0.4 341,-0.1 279,-0.0 -0.971 14.0-160.2-107.8 116.3 339.4 -57.6 -2.4 17 44 A R - 0 0 175 -2,-0.6 2,-2.4 1,-0.0 3,-0.1 -0.835 23.2-127.1-102.9 133.5 340.7 -54.8 -4.5 18 45 A R > + 0 0 65 -2,-0.4 3,-0.7 1,-0.2 340,-0.0 -0.421 47.1 158.1 -75.4 72.9 339.0 -51.4 -5.0 19 46 A F T 3 + 0 0 12 -2,-2.4 287,-2.1 1,-0.2 -1,-0.2 0.411 56.0 64.9 -81.3 -1.3 339.1 -51.7 -8.8 20 47 A W T 3 + 0 0 0 285,-0.2 2,-1.9 1,-0.1 288,-0.3 0.157 58.8 119.9-110.4 15.3 336.3 -49.3 -9.6 21 48 A R < + 0 0 47 -3,-0.7 31,-2.5 30,-0.1 32,-1.6 -0.324 52.1 98.5 -90.1 60.7 337.6 -45.9 -8.3 22 49 A S E +k 53 0B 1 -2,-1.9 286,-1.4 284,-0.5 2,-0.2 -0.985 39.5 174.7-146.6 148.9 337.5 -44.0 -11.6 23 50 A T E -kl 54 308B 0 30,-3.3 32,-3.2 -2,-0.3 2,-0.3 -0.782 8.9-174.7-138.2-175.9 335.4 -41.6 -13.6 24 51 A G E -k 55 0B 0 284,-0.6 287,-2.9 30,-0.3 288,-0.4 -0.993 9.5-175.4-170.6 172.1 335.6 -39.5 -16.8 25 52 A F E -k 56 0B 0 30,-1.8 32,-2.0 -2,-0.3 285,-0.1 -0.974 22.3-126.0-166.2 167.0 334.3 -37.0 -19.2 26 53 A C - 0 0 41 -2,-0.3 32,-0.1 30,-0.2 30,-0.1 -0.992 26.3-132.2-119.6 122.6 334.7 -35.2 -22.6 27 54 A P 0 0 27 0, 0.0 285,-0.0 0, 0.0 -2,-0.0 -0.367 360.0 360.0 -58.0 152.0 334.9 -31.5 -22.9 28 55 A P 0 0 147 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.337 360.0 360.0 -80.1 360.0 332.6 -29.9 -25.6 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 0 110 0, 0.0 3,-1.2 0, 0.0 6,-0.4 0.000 360.0 360.0 360.0 -48.2 336.2 -25.0 -20.2 31 65 A V T 3 + 0 0 7 1,-0.2 0, 0.0 5,-0.1 0, 0.0 0.584 360.0 55.3 -69.5 -9.6 337.8 -27.4 -17.7 32 66 A L T 3 S+ 0 0 66 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.549 83.3 115.7 -98.2 -12.1 339.1 -24.4 -15.7 33 67 A S S <> S- 0 0 39 -3,-1.2 4,-1.8 1,-0.1 5,-0.1 -0.083 80.3-111.5 -55.8 156.3 335.6 -22.8 -15.3 34 68 A W H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.860 117.2 59.2 -60.2 -38.1 334.1 -22.5 -11.8 35 69 A D H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.970 108.9 43.4 -51.5 -57.6 331.5 -25.2 -12.7 36 70 A Q H > S+ 0 0 0 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.782 109.5 58.2 -61.9 -31.4 334.2 -27.7 -13.3 37 71 A Q H X S+ 0 0 71 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.914 109.7 42.9 -66.3 -42.1 336.1 -26.6 -10.2 38 72 A L H X S+ 0 0 2 -4,-2.4 4,-1.8 -3,-0.3 3,-0.3 0.897 108.5 60.9 -68.9 -40.4 333.2 -27.4 -8.0 39 73 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.924 107.6 42.2 -50.4 -53.6 332.5 -30.7 -9.9 40 74 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.693 107.7 61.2 -72.6 -19.9 335.9 -32.1 -9.0 41 75 A A H < S+ 0 0 1 -4,-0.9 4,-0.4 -3,-0.3 -1,-0.3 0.860 108.0 45.8 -70.1 -33.6 335.6 -30.8 -5.5 42 76 A Y H >< S+ 0 0 5 -4,-1.8 3,-0.7 -3,-0.4 4,-0.3 0.918 113.4 48.5 -71.7 -44.9 332.6 -33.1 -5.3 43 77 A V H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.948 112.0 48.0 -59.3 -52.8 334.4 -36.0 -6.9 44 78 A G T 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.609 100.1 70.5 -63.3 -11.9 337.4 -35.7 -4.6 45 79 A A T < + 0 0 0 -3,-0.7 516,-2.7 -4,-0.4 -1,-0.3 0.553 64.2 114.2 -87.6 -9.9 335.1 -35.5 -1.6 46 80 A V S <> S- 0 0 4 -3,-1.6 4,-0.9 -4,-0.3 5,-0.5 -0.527 79.2-109.2 -60.8 118.3 334.1 -39.2 -1.9 47 81 A P T >4 S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.004 88.4 17.7 -62.7 157.5 335.6 -40.4 1.4 48 82 A H T 34 S- 0 0 24 1,-0.3 -3,-0.1 2,-0.1 -2,-0.0 0.858 131.9 -59.2 53.4 46.4 338.6 -42.7 1.8 49 83 A R T 34 S+ 0 0 74 -3,-0.3 -1,-0.3 -5,-0.2 -4,-0.1 0.781 83.3 164.4 56.6 33.8 340.0 -42.1 -1.7 50 84 A G << + 0 0 0 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.1 0.641 67.6 32.9 -59.5 -23.2 336.7 -43.4 -3.1 51 85 A I + 0 0 4 -5,-0.5 -29,-0.2 -8,-0.2 -1,-0.2 -0.949 65.6 163.8-134.8 120.8 337.3 -42.0 -6.6 52 86 A K + 0 0 61 -31,-2.5 35,-2.5 -2,-0.4 2,-0.4 0.840 54.3 50.2-102.4 -42.4 341.0 -41.8 -7.7 53 87 A Q E -km 22 87B 11 -32,-1.6 -30,-3.3 33,-0.2 2,-0.7 -0.874 49.9-163.6-118.3 130.1 341.1 -41.2 -11.5 54 88 A V E -km 23 88B 0 33,-2.6 35,-1.3 -2,-0.4 2,-1.0 -0.838 18.4-150.2-110.2 95.0 339.4 -38.7 -13.8 55 89 A R E -km 24 89B 0 -32,-3.2 -30,-1.8 -2,-0.7 2,-0.5 -0.499 23.1-168.0 -68.6 100.6 339.8 -40.0 -17.4 56 90 A T E > -km 25 90B 1 33,-1.1 35,-0.7 -2,-1.0 3,-0.6 -0.814 11.1-144.0-105.9 120.2 339.9 -36.7 -19.4 57 91 A H T 3 S+ 0 0 9 -32,-2.0 83,-0.0 -2,-0.5 35,-0.0 -0.330 77.7 18.5 -73.2 158.7 339.6 -36.4 -23.2 58 92 A W T > + 0 0 31 1,-0.1 3,-1.7 2,-0.1 4,-0.4 0.716 68.3 153.5 56.8 31.5 341.4 -33.8 -25.3 59 93 A L G X + 0 0 0 -3,-0.6 3,-0.7 32,-0.4 35,-0.2 0.747 68.7 58.6 -61.7 -25.5 344.1 -33.0 -22.7 60 94 A L G 3 S+ 0 0 1 33,-2.9 36,-1.8 31,-0.3 37,-0.5 0.105 90.1 68.7 -97.5 21.6 346.6 -32.0 -25.4 61 95 A E G < S+ 0 0 53 -3,-1.7 -1,-0.2 32,-0.2 -2,-0.2 0.468 86.3 71.1-100.1 -13.5 344.3 -29.3 -26.7 62 96 A L S < S+ 0 0 37 -3,-0.7 12,-1.5 -4,-0.4 2,-0.4 0.114 92.0 74.0 -80.7 19.4 345.1 -27.6 -23.4 63 97 A V - 0 0 1 10,-0.2 2,-0.2 -3,-0.1 8,-0.2 -0.987 69.0-156.0-140.0 125.8 348.6 -27.0 -24.8 64 98 A T B S 70 0C 57 6,-1.2 6,-2.0 -2,-0.4 33,-0.2 -0.614 360.0 360.0-102.0 160.4 349.6 -24.5 -27.5 65 99 A T 0 0 81 31,-0.3 3,-0.3 32,-0.3 -1,-0.1 0.600 360.0 360.0-121.5 360.0 352.5 -24.2 -30.0 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 0 142 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 122.6 359.6 -25.5 -31.3 68 108 A S - 0 0 95 -3,-0.3 2,-0.3 2,-0.0 47,-0.0 -0.871 360.0-128.9-138.7 175.0 358.1 -25.1 -27.8 69 109 A Y - 0 0 40 -2,-0.3 2,-0.8 46,-0.0 -4,-0.2 -0.888 12.6-130.2-130.7 150.1 354.8 -25.3 -25.9 70 110 A N B +S 64 0C 85 -6,-2.0 -6,-1.2 -2,-0.3 3,-0.4 -0.881 24.6 177.3 -97.9 103.2 352.5 -23.3 -23.6 71 111 A F > + 0 0 17 -2,-0.8 4,-2.2 1,-0.2 5,-0.1 0.051 47.7 110.2 -92.2 24.2 351.6 -25.8 -20.8 72 112 A T H > S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 78.5 41.5 -67.5 -51.7 349.7 -23.1 -18.9 73 113 A H H > S+ 0 0 108 -3,-0.4 4,-1.9 -11,-0.3 3,-0.2 0.924 117.7 47.1 -65.0 -45.1 346.2 -24.5 -19.4 74 114 A L H > S+ 0 0 0 -12,-1.5 4,-2.3 -4,-0.3 5,-0.3 0.901 109.0 56.2 -59.7 -43.1 347.3 -28.1 -18.8 75 115 A D H X S+ 0 0 14 -4,-2.2 4,-2.1 -13,-0.2 -1,-0.2 0.845 108.0 49.8 -51.0 -40.5 349.2 -27.0 -15.7 76 116 A G H X S+ 0 0 27 -4,-1.5 4,-2.1 -3,-0.2 -2,-0.2 0.923 111.1 44.9 -72.6 -48.3 345.9 -25.5 -14.4 77 117 A Y H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 116.6 46.5 -60.7 -42.9 343.7 -28.5 -14.9 78 118 A L H X S+ 0 0 4 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.876 111.6 50.3 -71.6 -39.6 346.3 -30.9 -13.4 79 119 A D H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.894 110.6 52.2 -60.4 -40.1 347.0 -28.6 -10.5 80 120 A L H X S+ 0 0 13 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.943 110.3 46.6 -61.2 -50.9 343.2 -28.6 -10.0 81 121 A L H ><>S+ 0 0 1 -4,-2.6 5,-1.6 1,-0.2 3,-1.1 0.945 112.1 52.1 -51.1 -52.7 343.1 -32.4 -10.1 82 122 A R H ><5S+ 0 0 95 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.851 103.6 56.2 -54.8 -42.3 346.0 -32.5 -7.6 83 123 A E H 3<5S+ 0 0 101 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 109.6 46.9 -66.8 -22.9 344.3 -30.2 -5.1 84 124 A N T <<5S- 0 0 10 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.096 119.8-108.9-103.2 18.9 341.3 -32.6 -5.0 85 125 A Q T < 5S+ 0 0 24 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.928 75.7 131.2 52.8 52.7 343.6 -35.7 -4.5 86 126 A L < - 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