==== 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 4MJ4 . 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, . 603 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 55 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 0 1 1 1 1 0 2 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 3 0 1 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 . 3 4 4 2 0 2 0 5 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 . 3 1 0 1 0 0 0 1 0 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 27 A E 0 0 69 0, 0.0 419,-0.5 0, 0.0 417,-0.1 0.000 360.0 360.0 360.0 147.9 66.0 -38.5 103.8 2 28 A A - 0 0 46 1,-0.2 0, 0.0 417,-0.1 0, 0.0 -0.297 360.0 -60.8 -71.3 166.2 63.3 -39.4 106.4 3 29 A P - 0 0 83 0, 0.0 370,-0.5 0, 0.0 2,-0.4 -0.244 55.6-155.0 -55.4 135.3 59.8 -37.8 105.9 4 30 A H E -a 421 0A 11 416,-2.9 418,-2.6 368,-0.1 2,-0.5 -0.946 6.6-149.8-115.8 133.1 59.7 -34.0 105.9 5 31 A L E -aB 422 371A 42 366,-2.7 366,-2.6 -2,-0.4 2,-0.5 -0.897 11.5-169.4 -97.1 126.9 56.7 -31.9 106.7 6 32 A V E -aB 423 370A 0 416,-2.9 418,-3.1 -2,-0.5 2,-0.5 -0.976 5.8-171.4-115.5 115.7 56.6 -28.5 104.9 7 33 A Q E -aB 424 369A 42 362,-3.0 362,-2.7 -2,-0.5 2,-0.4 -0.926 4.0-174.5-109.8 129.8 54.0 -26.1 106.2 8 34 A V E -aB 425 368A 0 416,-2.6 418,-2.4 -2,-0.5 2,-0.7 -0.989 11.1-158.6-122.2 132.9 53.1 -22.8 104.5 9 35 A D E > -aB 426 367A 19 358,-2.6 3,-1.5 -2,-0.4 358,-0.7 -0.894 8.3-177.5-111.7 101.0 50.7 -20.3 105.9 10 36 A A E 3 S+ 0 0 7 416,-3.2 417,-0.2 -2,-0.7 3,-0.1 0.609 84.0 61.8 -73.6 -13.1 49.4 -18.1 103.1 11 37 A A E 3 S+ 0 0 76 415,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.465 95.1 71.4 -84.4 -3.7 47.5 -16.0 105.7 12 38 A R E < + 0 0 111 -3,-1.5 355,-2.5 355,-0.2 2,-0.3 -0.722 59.7 177.5-124.0 79.3 50.8 -15.1 107.4 13 39 A A E - B 0 366A 37 -2,-0.5 353,-0.2 353,-0.2 375,-0.1 -0.666 5.0-176.7 -77.9 136.2 52.9 -12.6 105.3 14 40 A L E - 0 0 62 351,-3.2 -1,-0.1 1,-0.4 352,-0.1 0.891 48.2 -39.8-103.5 -55.1 56.0 -11.7 107.3 15 41 A W E S- B 0 365A 74 350,-0.7 350,-3.0 285,-0.0 -1,-0.4 -0.910 77.9 -52.6-163.7 175.0 58.2 -9.1 105.5 16 42 A P E - B 0 364A 81 0, 0.0 2,-0.6 0, 0.0 348,-0.3 -0.311 36.7-148.4 -61.2 147.5 59.4 -8.2 102.0 17 43 A L - 0 0 6 346,-3.2 2,-0.2 345,-0.0 278,-0.0 -0.902 18.9-159.2-115.9 97.6 61.1 -10.7 99.8 18 44 A R - 0 0 191 -2,-0.6 2,-1.6 1,-0.1 3,-0.1 -0.535 20.3-128.4 -76.4 140.3 63.6 -8.8 97.7 19 45 A R > + 0 0 62 -2,-0.2 3,-0.7 1,-0.2 -1,-0.1 -0.563 48.2 155.0 -89.1 74.7 64.7 -10.4 94.4 20 46 A F T 3 + 0 0 13 -2,-1.6 291,-2.9 1,-0.2 -1,-0.2 0.411 57.0 65.5 -84.5 -0.1 68.4 -9.9 95.2 21 47 A W T 3 + 0 0 0 289,-0.2 2,-2.1 1,-0.1 292,-0.4 0.277 59.1 116.8-109.2 6.9 69.8 -12.7 93.1 22 48 A R < + 0 0 43 -3,-0.7 32,-3.2 31,-0.1 33,-2.1 -0.210 54.5 100.7 -83.3 52.4 68.9 -11.5 89.5 23 49 A S E +kl 55 312B 2 -2,-2.1 290,-1.2 288,-0.5 2,-0.3 -0.963 38.6 171.2-137.1 148.2 72.5 -11.3 88.3 24 50 A T E -k 56 0B 0 31,-2.5 33,-3.0 -2,-0.3 2,-0.3 -0.815 10.8-168.8-137.5-177.5 75.0 -13.2 86.2 25 51 A G E -k 57 0B 0 288,-0.4 291,-2.8 31,-0.3 292,-0.5 -0.987 8.1-175.4-167.6 164.7 78.4 -12.5 84.8 26 52 A F E -k 58 0B 0 31,-2.2 33,-1.8 -2,-0.3 289,-0.1 -0.983 20.3-131.8-161.5 165.0 81.2 -13.6 82.4 27 53 A C 0 0 42 -2,-0.3 33,-0.1 31,-0.2 31,-0.1 -0.992 360.0 360.0-125.6 121.7 84.8 -12.8 81.3 28 54 A P 0 0 68 0, 0.0 289,-0.0 0, 0.0 32,-0.0 -0.246 360.0 360.0 -59.5 360.0 85.6 -12.6 77.5 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 62 A D 0 0 165 0, 0.0 5,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 113.5 85.3 -8.7 65.8 31 63 A P > - 0 0 31 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.173 360.0-111.7 -66.4 160.6 85.3 -9.1 69.6 32 64 A Y G > S+ 0 0 79 1,-0.2 3,-0.9 2,-0.2 6,-0.4 0.810 115.0 59.2 -58.5 -35.5 84.1 -12.1 71.6 33 65 A V G 3 S+ 0 0 5 1,-0.2 -1,-0.2 5,-0.1 0, 0.0 0.630 104.7 49.2 -74.4 -15.1 81.1 -10.2 73.0 34 66 A L G < S+ 0 0 34 -3,-1.2 -1,-0.2 4,-0.1 -2,-0.2 0.366 85.7 117.3-104.6 1.8 79.7 -9.3 69.5 35 67 A S S <> S- 0 0 26 -3,-0.9 4,-2.0 -4,-0.3 5,-0.2 -0.253 79.6-113.0 -67.2 156.8 79.9 -12.9 68.2 36 68 A W H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.824 118.5 59.7 -59.8 -32.2 76.7 -14.8 67.1 37 69 A D H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.947 107.4 43.6 -57.5 -52.4 77.4 -17.1 70.1 38 70 A Q H > S+ 0 0 0 -6,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.826 110.3 56.3 -67.0 -33.2 77.2 -14.2 72.6 39 71 A Q H X S+ 0 0 60 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.861 111.8 42.7 -66.2 -37.2 74.1 -12.8 70.8 40 72 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.889 111.7 56.2 -71.1 -41.3 72.3 -16.1 71.3 41 73 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 109.0 44.8 -57.8 -44.8 73.6 -16.4 74.9 42 74 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.779 108.0 57.5 -77.4 -27.0 72.2 -13.0 75.9 43 75 A A H < S+ 0 0 0 -4,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.889 110.2 46.0 -62.5 -40.5 68.8 -13.8 74.2 44 76 A Y H >< S+ 0 0 3 -4,-2.0 3,-0.5 2,-0.2 4,-0.4 0.895 112.4 49.5 -66.9 -44.3 68.7 -16.9 76.4 45 77 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 8,-0.3 0.908 113.4 46.8 -60.7 -44.0 69.7 -14.9 79.5 46 78 A G T 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.594 98.8 72.3 -73.6 -10.7 67.0 -12.3 78.7 47 79 A A T < + 0 0 0 -3,-0.5 521,-2.9 -4,-0.5 -1,-0.2 0.585 64.2 111.6 -86.7 -10.1 64.4 -15.0 78.1 48 80 A V S <> S- 0 0 4 -3,-0.9 4,-0.7 -4,-0.4 3,-0.4 -0.520 79.6-111.4 -57.7 121.0 64.1 -15.8 81.8 49 81 A P T >4 S+ 0 0 5 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.107 89.1 17.3 -60.5 155.8 60.5 -14.6 82.5 50 82 A H T 34 S- 0 0 27 1,-0.3 -3,-0.1 2,-0.1 -2,-0.0 0.854 131.4 -60.8 52.3 47.6 59.7 -11.6 84.7 51 83 A R T 34 S+ 0 0 122 -3,-0.4 -1,-0.3 -5,-0.2 -4,-0.1 0.836 79.4 167.4 50.2 41.7 63.2 -10.1 84.6 52 84 A G S << S+ 0 0 0 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.1 0.785 72.9 29.6 -56.8 -34.7 64.6 -13.2 86.2 53 85 A I + 0 0 5 -5,-0.4 -30,-0.2 -8,-0.3 -1,-0.2 -0.997 68.0 161.0-125.0 127.2 68.1 -12.1 85.4 54 86 A K + 0 0 60 -32,-3.2 38,-3.1 -2,-0.4 2,-0.4 0.755 56.2 56.2-111.2 -44.4 68.6 -8.3 85.2 55 87 A Q E -km 23 92B 11 -33,-2.1 -31,-2.5 36,-0.2 2,-0.5 -0.791 51.6-168.7-103.6 137.4 72.4 -7.7 85.5 56 88 A V E -km 24 93B 0 36,-3.1 38,-2.6 -2,-0.4 2,-0.7 -0.937 16.9-151.3-119.5 103.8 75.2 -9.1 83.4 57 89 A R E -km 25 94B 0 -33,-3.0 -31,-2.2 -2,-0.5 2,-0.5 -0.670 21.2-167.4 -77.9 114.3 78.6 -8.4 85.1 58 90 A T E > -km 26 95B 0 36,-1.4 38,-0.7 -2,-0.7 3,-0.5 -0.912 11.6-144.4-119.5 126.2 81.1 -8.1 82.2 59 91 A H T 3 S+ 0 0 12 -33,-1.8 86,-0.0 -2,-0.5 38,-0.0 -0.450 77.5 17.6 -80.0 154.7 84.9 -8.0 82.4 60 92 A W T > + 0 0 39 -2,-0.1 3,-1.7 1,-0.1 4,-0.3 0.725 67.2 152.4 62.2 29.9 87.1 -6.0 80.1 61 93 A L G X S+ 0 0 1 -3,-0.5 3,-1.0 35,-0.4 38,-0.2 0.808 70.8 56.3 -60.2 -30.1 84.5 -3.6 78.8 62 94 A L G > S+ 0 0 0 36,-2.5 39,-0.8 1,-0.3 3,-0.6 0.448 89.5 71.6 -87.9 -0.0 87.1 -0.9 78.2 63 95 A E G < S+ 0 0 59 -3,-1.7 -1,-0.3 35,-0.5 -2,-0.2 0.534 88.4 67.4 -80.5 -9.6 89.1 -3.2 76.0 64 96 A L G < S+ 0 0 16 -3,-1.0 15,-0.6 -4,-0.3 14,-0.6 0.450 90.1 80.5 -83.1 -4.3 86.1 -2.5 73.6 65 97 A V < - 0 0 0 -3,-0.6 2,-0.3 13,-0.2 11,-0.2 -0.885 64.9-161.3-106.6 134.7 87.3 1.1 73.4 66 98 A T E -S 75 0C 52 9,-1.7 9,-2.8 -2,-0.4 2,-0.3 -0.826 13.0-131.8-110.3 156.3 90.1 2.3 71.1 67 99 A T E -S 74 0C 35 34,-0.4 2,-0.4 -2,-0.3 7,-0.2 -0.814 11.0-158.6-111.1 145.2 92.1 5.5 71.4 68 100 A R E -S 73 0C 126 5,-2.6 5,-1.8 -2,-0.3 2,-0.0 -0.963 60.1 -7.8-120.7 143.9 93.0 8.2 68.8 69 101 A G 0 0 71 -2,-0.4 -2,-0.0 3,-0.2 0, 0.0 -0.292 360.0 360.0 70.6-160.0 95.8 10.7 69.1 70 102 A S 0 0 126 -2,-0.0 -1,-0.1 -3,-0.0 -3,-0.0 0.328 360.0 360.0-149.8 360.0 97.8 11.1 72.3 71 ! 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 72 107 A L 0 0 70 0, 0.0 2,-0.2 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 106.3 92.9 12.5 72.7 73 108 A S E -S 68 0C 66 -5,-1.8 -5,-2.6 2,-0.0 2,-0.4 -0.735 360.0-131.7-121.9 169.3 89.6 10.9 71.6 74 109 A Y E -S 67 0C 20 -2,-0.2 2,-0.6 -7,-0.2 -7,-0.2 -0.961 4.5-143.1-129.0 139.7 87.9 7.5 71.9 75 110 A N E +S 66 0C 64 -9,-2.8 -9,-1.7 -2,-0.4 3,-0.2 -0.909 18.0 178.9 -99.7 119.5 86.1 5.2 69.5 76 111 A F >> + 0 0 20 -2,-0.6 4,-3.4 -11,-0.2 3,-0.6 0.338 42.6 115.7-103.4 4.0 83.2 3.5 71.2 77 112 A T H 3> S+ 0 0 86 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.829 80.7 42.3 -45.1 -50.4 81.8 1.4 68.3 78 113 A H H 3> S+ 0 0 77 -14,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.818 116.1 48.7 -72.0 -32.0 82.5 -2.0 69.9 79 114 A L H <> S+ 0 0 0 -15,-0.6 4,-2.6 -3,-0.6 5,-0.3 0.898 109.2 53.9 -70.9 -42.2 81.2 -0.9 73.3 80 115 A D H X S+ 0 0 16 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.941 108.1 51.5 -50.6 -52.4 78.1 0.6 71.6 81 116 A G H X S+ 0 0 24 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.896 112.2 43.9 -54.2 -48.1 77.5 -2.9 70.0 82 117 A Y H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.935 115.9 45.7 -67.9 -46.6 77.7 -4.8 73.3 83 118 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.828 111.5 52.8 -67.8 -33.1 75.6 -2.4 75.3 84 119 A D H X S+ 0 0 60 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.883 107.8 53.3 -64.7 -39.3 73.0 -2.2 72.5 85 120 A L H X S+ 0 0 9 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.899 110.9 44.9 -60.6 -44.7 73.0 -6.0 72.6 86 121 A L H <>S+ 0 0 1 -4,-2.0 5,-2.8 2,-0.2 3,-0.5 0.944 113.0 51.1 -63.4 -48.1 72.3 -5.9 76.4 87 122 A R H ><5S+ 0 0 79 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.873 105.9 55.0 -56.6 -43.9 69.6 -3.2 75.9 88 123 A E H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.9 45.5 -59.5 -35.6 67.9 -5.2 73.2 89 124 A N T 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.265 117.6-115.3 -90.9 10.3 67.6 -8.2 75.6 90 125 A Q T < 5S+ 0 0 41 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.841 71.0 138.0 54.4 39.9 66.4 -5.8 78.4 91 126 A L < - 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