==== 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 03-SEP-13 4MJ2 . 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) . 45501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 818 68.1 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 . 218 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 . 107 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 0 2 2 2 0 2 4 0 0 0 0 2 4 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 8 6 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 . 9 10 6 3 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 2 0 2 0 0 2 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 2,-0.0 0.000 360.0 360.0 360.0 130.2 -97.5 301.4 18.8 2 29 A P - 0 0 68 0, 0.0 366,-0.6 0, 0.0 2,-0.5 -0.250 360.0-103.3 -76.4 163.5 -100.9 302.5 20.0 3 30 A H E -Ab 367 416A 19 412,-2.8 414,-3.0 364,-0.1 2,-0.5 -0.763 31.8-149.9 -87.2 127.9 -103.0 305.4 18.8 4 31 A L E -Ab 366 417A 44 362,-3.3 362,-2.3 -2,-0.5 2,-0.5 -0.874 13.6-174.9-102.6 126.5 -103.0 308.4 21.2 5 32 A V E -Ab 365 418A 0 412,-2.9 414,-3.3 -2,-0.5 2,-0.4 -0.966 2.4-174.4-124.5 112.4 -106.1 310.6 21.3 6 33 A Q E -Ab 364 419A 34 358,-2.5 358,-2.2 -2,-0.5 2,-0.4 -0.889 3.3-169.8-110.6 143.1 -106.0 313.8 23.4 7 34 A V E -Ab 363 420A 1 412,-1.8 414,-2.7 -2,-0.4 2,-0.8 -0.998 11.2-154.2-132.7 125.3 -109.0 316.1 24.0 8 35 A D E > -Ab 362 421A 43 354,-2.8 3,-1.3 -2,-0.4 354,-0.8 -0.869 9.8-177.2-104.5 102.2 -108.8 319.5 25.6 9 36 A A E 3 S+ 0 0 7 412,-2.8 413,-0.2 -2,-0.8 -1,-0.1 0.726 82.5 61.6 -70.0 -23.4 -112.2 320.3 27.2 10 37 A A E 3 S+ 0 0 76 411,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.492 92.4 75.1 -78.8 -5.0 -111.0 323.7 28.2 11 38 A R E < + 0 0 113 -3,-1.3 351,-1.5 351,-0.1 2,-1.1 -0.698 54.6 175.3-115.2 78.7 -110.5 324.6 24.6 12 39 A A E -A 361 0A 51 -2,-0.6 349,-0.2 349,-0.2 -3,-0.1 -0.733 11.7-179.8 -77.5 101.6 -113.8 325.3 22.8 13 40 A L E - 0 0 60 347,-2.0 -1,-0.2 -2,-1.1 348,-0.1 0.908 49.6 -30.6 -77.9 -47.2 -112.4 326.4 19.5 14 41 A W E S-A 360 0A 77 346,-0.8 346,-3.0 281,-0.0 -1,-0.2 -0.972 78.7 -60.4-164.7 165.9 -115.4 327.2 17.3 15 42 A P E -A 359 0A 76 0, 0.0 2,-0.5 0, 0.0 344,-0.3 -0.228 39.3-151.7 -55.8 146.6 -119.1 326.3 16.7 16 43 A L - 0 0 4 342,-2.1 2,-0.3 279,-0.0 274,-0.0 -0.951 12.4-160.6-123.7 107.3 -119.9 322.7 15.7 17 44 A R - 0 0 186 -2,-0.5 2,-1.9 1,-0.1 3,-0.1 -0.692 23.6-126.6 -91.4 139.0 -123.0 322.5 13.5 18 45 A R > + 0 0 56 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 -0.572 46.5 159.6 -81.5 78.5 -124.9 319.3 13.1 19 46 A F T 3 + 0 0 11 -2,-1.9 287,-2.5 1,-0.2 -1,-0.2 0.416 57.8 65.9 -83.9 0.1 -124.8 319.5 9.3 20 47 A W T 3 + 0 0 0 285,-0.2 2,-1.9 1,-0.1 288,-0.3 0.192 59.3 118.3-109.9 11.3 -125.4 315.8 8.7 21 48 A R < + 0 0 51 -3,-0.7 31,-2.4 30,-0.1 32,-1.6 -0.292 53.7 98.1 -86.8 57.1 -129.0 315.4 10.0 22 49 A S E +k 53 0B 1 -2,-1.9 286,-1.1 284,-0.4 2,-0.3 -0.990 38.7 170.7-143.0 144.1 -130.6 314.4 6.6 23 50 A T E -k 54 0B 1 30,-2.8 32,-3.1 -2,-0.3 2,-0.3 -0.799 11.3-177.0-134.7-176.7 -131.6 311.2 4.8 24 51 A G E -k 55 0B 0 284,-0.5 287,-2.7 30,-0.3 288,-0.4 -0.982 9.3-171.7-172.4 167.5 -133.6 310.6 1.6 25 52 A F E -k 56 0B 0 30,-2.0 32,-1.9 -2,-0.3 285,-0.1 -0.979 20.9-127.5-159.4 169.8 -135.2 308.1 -0.8 26 53 A C - 0 0 36 -2,-0.3 32,-0.1 30,-0.2 30,-0.1 -0.994 29.9-125.6-122.9 127.4 -136.9 307.6 -4.2 27 54 A P 0 0 28 0, 0.0 285,-0.0 0, 0.0 31,-0.0 -0.374 360.0 360.0 -66.3 153.1 -140.2 305.8 -4.5 28 55 A P 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.865 360.0 360.0 -80.8 360.0 -140.4 302.8 -6.9 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 92 0, 0.0 3,-1.1 0, 0.0 6,-0.5 0.000 360.0 360.0 360.0 -50.2 -145.7 303.2 -1.4 31 65 A V T 3 + 0 0 11 1,-0.3 0, 0.0 5,-0.1 0, 0.0 0.674 360.0 42.3 -66.5 -18.8 -145.1 306.4 0.6 32 66 A L T 3 S+ 0 0 65 4,-0.1 -1,-0.3 48,-0.0 5,-0.0 0.381 90.2 118.5-104.4 -0.3 -148.3 305.8 2.6 33 67 A S S <> S- 0 0 34 -3,-1.1 4,-1.9 1,-0.1 3,-0.2 -0.227 79.0-114.4 -62.2 155.8 -147.8 302.0 3.0 34 68 A W H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.835 117.5 61.6 -60.5 -33.6 -147.5 300.6 6.5 35 69 A D H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 107.3 43.3 -54.4 -50.2 -143.9 299.7 5.6 36 70 A Q H > S+ 0 0 0 -6,-0.5 4,-2.6 2,-0.2 5,-0.2 0.833 109.2 57.1 -68.2 -35.6 -143.1 303.4 5.1 37 71 A Q H X S+ 0 0 62 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.917 111.3 42.8 -63.2 -43.7 -145.0 304.5 8.2 38 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 111.8 56.3 -64.6 -42.1 -142.8 302.2 10.3 39 73 A N H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.936 109.3 44.0 -56.8 -50.2 -139.7 303.3 8.4 40 74 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.768 108.2 59.4 -70.4 -25.9 -140.3 307.0 9.2 41 75 A A H X S+ 0 0 0 -4,-1.3 4,-0.9 -5,-0.2 -1,-0.2 0.915 108.6 45.4 -62.9 -42.9 -141.1 306.1 12.8 42 76 A Y H < S+ 0 0 3 -4,-2.1 4,-0.3 2,-0.2 3,-0.3 0.913 113.8 48.7 -65.1 -43.1 -137.6 304.6 13.0 43 77 A V H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 8,-0.2 0.907 113.6 46.0 -64.7 -43.2 -136.0 307.6 11.3 44 78 A G H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 5,-0.2 0.646 100.5 70.8 -73.1 -16.1 -137.8 310.1 13.6 45 79 A A T 3< + 0 0 0 -4,-0.9 516,-2.3 -3,-0.3 -1,-0.2 0.536 65.7 115.2 -80.2 -8.6 -136.9 308.1 16.6 46 80 A V S X> S- 0 0 3 -3,-1.0 4,-0.6 -4,-0.3 3,-0.5 -0.479 79.0-105.0 -61.1 128.0 -133.2 309.0 16.4 47 81 A P G >4 S+ 0 0 3 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.127 90.4 12.0 -66.3 154.2 -132.7 311.0 19.6 48 82 A H G 34 S- 0 0 28 1,-0.3 -3,-0.1 2,-0.1 -2,-0.0 0.830 130.0 -60.0 54.8 45.1 -132.3 314.8 19.8 49 83 A R G <4 S+ 0 0 82 -3,-0.5 -1,-0.3 -5,-0.2 3,-0.1 0.811 82.3 163.2 55.0 37.1 -133.5 315.5 16.2 50 84 A G S << S+ 0 0 0 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.1 0.706 72.8 33.1 -62.2 -26.7 -130.6 313.4 14.9 51 85 A I + 0 0 4 -5,-0.4 -1,-0.2 -8,-0.2 -29,-0.2 -0.973 69.1 161.8-125.9 121.9 -132.3 313.1 11.6 52 86 A K + 0 0 63 -31,-2.4 35,-3.0 -2,-0.4 2,-0.4 0.751 55.9 50.1-107.0 -35.0 -134.3 316.2 10.7 53 87 A Q E -kl 22 87B 12 -32,-1.6 -30,-2.8 33,-0.2 2,-0.5 -0.903 50.9-164.9-118.7 138.0 -134.9 316.0 6.9 54 88 A V E -kl 23 88B 0 33,-2.6 35,-2.3 -2,-0.4 2,-0.8 -0.930 17.9-151.0-116.6 103.3 -136.1 313.3 4.5 55 89 A R E -kl 24 89B 0 -32,-3.1 -30,-2.0 -2,-0.5 2,-0.5 -0.655 22.6-170.3 -76.8 109.3 -135.2 314.3 0.9 56 90 A T E > -kl 25 90B 1 33,-1.5 35,-0.7 -2,-0.8 3,-0.5 -0.900 12.7-143.4-116.2 122.9 -138.0 312.7 -1.1 57 91 A H T 3 S+ 0 0 12 -32,-1.9 83,-0.0 -2,-0.5 37,-0.0 -0.313 78.1 21.9 -73.8 161.6 -138.2 312.3 -5.0 58 92 A W T > + 0 0 31 1,-0.1 3,-1.8 2,-0.1 4,-0.3 0.713 66.5 151.1 56.1 31.0 -141.4 312.6 -7.0 59 93 A L G X S+ 0 0 0 -3,-0.5 3,-1.1 32,-0.4 35,-0.2 0.815 70.3 57.9 -58.9 -31.9 -143.4 314.5 -4.4 60 94 A L G 3 S+ 0 0 0 33,-2.2 36,-1.5 31,-0.3 37,-0.4 0.261 90.1 69.6 -90.2 12.5 -145.5 316.2 -7.2 61 95 A E G < S+ 0 0 62 -3,-1.8 -1,-0.3 32,-0.3 -2,-0.2 0.429 87.8 68.7 -92.7 -6.5 -146.6 312.8 -8.5 62 96 A L S < S+ 0 0 32 -3,-1.1 12,-1.1 -4,-0.3 2,-0.4 0.257 91.2 76.1 -88.6 8.6 -148.6 312.7 -5.3 63 97 A V - 0 0 0 -3,-0.2 2,-0.3 10,-0.2 8,-0.2 -0.979 66.6-163.2-118.4 136.3 -150.8 315.5 -6.8 64 98 A T B R 70 0C 56 6,-1.7 6,-2.9 -2,-0.4 33,-0.2 -0.828 360.0 360.0-115.5 157.8 -153.4 314.9 -9.4 65 99 A T 0 0 73 31,-0.4 4,-0.2 -2,-0.3 -2,-0.0 -0.879 360.0 360.0-110.6 360.0 -155.0 317.5 -11.7 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 0 134 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 115.8 -157.5 324.0 -13.5 68 108 A S - 0 0 96 2,-0.0 2,-0.3 0, 0.0 47,-0.0 -0.895 360.0-137.5-129.1 159.6 -157.5 322.6 -10.0 69 109 A Y - 0 0 40 -2,-0.3 2,-0.6 -4,-0.2 -4,-0.2 -0.890 6.2-141.8-121.7 145.7 -155.4 320.1 -8.0 70 110 A N B +R 64 0C 83 -6,-2.9 -6,-1.7 -2,-0.3 3,-0.2 -0.933 17.8 179.6-104.9 113.8 -156.1 317.3 -5.6 71 111 A F > + 0 0 21 -2,-0.6 4,-3.1 -8,-0.2 3,-0.4 0.336 43.0 116.5 -96.7 5.9 -153.4 317.3 -2.8 72 112 A T H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 78.3 41.3 -45.2 -55.6 -154.8 314.3 -0.9 73 113 A H H > S+ 0 0 103 -11,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.847 116.5 49.6 -68.8 -33.2 -151.8 311.9 -1.3 74 114 A L H > S+ 0 0 0 -12,-1.1 4,-2.5 -3,-0.4 5,-0.3 0.908 108.4 53.8 -68.9 -42.3 -149.3 314.8 -0.7 75 115 A D H X S+ 0 0 14 -4,-3.1 4,-2.4 -13,-0.2 -2,-0.2 0.904 108.1 51.9 -53.3 -46.1 -151.2 315.8 2.4 76 116 A G H X S+ 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.916 111.6 43.8 -59.8 -48.3 -150.9 312.3 3.7 77 117 A Y H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 115.3 47.5 -66.0 -45.3 -147.1 312.0 3.2 78 118 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.859 111.2 51.7 -67.1 -35.7 -146.3 315.4 4.7 79 119 A D H X S+ 0 0 58 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.880 107.6 54.5 -62.6 -38.5 -148.6 314.7 7.7 80 120 A L H X S+ 0 0 11 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.922 110.1 44.9 -61.6 -46.3 -146.7 311.5 8.1 81 121 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 3,-0.4 0.924 112.8 51.5 -60.6 -46.5 -143.3 313.4 8.3 82 122 A R H ><5S+ 0 0 88 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.888 105.5 55.3 -58.2 -43.2 -144.8 316.0 10.6 83 123 A E H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.5 46.2 -60.8 -31.9 -146.1 313.3 13.0 84 124 A N T 3<5S- 0 0 7 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.205 118.5-111.0 -95.3 15.1 -142.5 312.0 13.2 85 125 A Q T < 5S+ 0 0 22 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.868 75.1 135.1 55.6 41.8 -141.0 315.5 13.7 86 126 A L < - 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