==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-12 4FDI . COMPND 2 MOLECULE: N-ACETYLGALACTOSAMINE-6-SULFATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.RIVERA-COLON,S.C.GARMAN . 986 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 9.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 68 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 7 3 2 0 2 1 3 0 0 0 0 0 2 0 0 1 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 2 0 2 2 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 . 4 9 1 7 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 0 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 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 29 A Q 0 0 186 0, 0.0 195,-0.0 0, 0.0 102,-0.0 0.000 360.0 360.0 360.0 130.6 9.8 -11.2 37.3 2 30 A P - 0 0 31 0, 0.0 323,-0.1 0, 0.0 2,-0.1 -0.310 360.0 -94.2 -65.0 152.8 11.0 -10.0 33.8 3 31 A P - 0 0 12 0, 0.0 250,-0.2 0, 0.0 249,-0.0 -0.418 37.0-108.0 -72.5 144.0 10.0 -6.5 32.7 4 32 A N E -a 253 0A 7 248,-2.5 250,-3.1 245,-0.2 2,-0.5 -0.339 32.6-141.2 -59.8 148.5 6.9 -5.8 30.7 5 33 A I E -ab 254 199A 0 193,-3.0 195,-2.7 248,-0.2 2,-0.5 -0.979 17.3-174.6-123.1 124.3 7.6 -4.8 27.1 6 34 A L E -ab 255 200A 1 248,-3.2 250,-2.7 -2,-0.5 2,-0.6 -0.958 3.0-169.6-121.4 114.0 5.7 -2.1 25.2 7 35 A L E -ab 256 201A 3 193,-3.3 195,-3.1 -2,-0.5 2,-0.9 -0.901 3.3-166.5-107.7 113.7 6.4 -1.5 21.6 8 36 A L E -ab 257 202A 4 248,-3.2 250,-2.6 -2,-0.6 2,-0.6 -0.859 12.1-177.2 -99.1 101.0 4.8 1.6 20.0 9 37 A L E -a 258 0A 1 193,-1.7 195,-0.3 -2,-0.9 250,-0.2 -0.908 8.1-158.0-107.5 115.2 5.1 1.2 16.3 10 38 A M E -a 259 0A 0 248,-2.7 250,-1.8 -2,-0.6 2,-0.5 -0.383 14.2-125.0 -84.4 164.1 3.8 4.1 14.1 11 39 A D S S- 0 0 0 248,-0.2 196,-0.1 249,-0.1 3,-0.1 -0.962 81.6 -18.9-117.7 116.0 2.8 3.9 10.5 12 40 A D S S+ 0 0 2 -2,-0.5 252,-0.7 1,-0.2 261,-0.5 0.614 87.7 148.1 65.1 16.6 4.4 6.3 7.9 13 41 A M - 0 0 1 250,-0.2 248,-0.3 259,-0.1 -1,-0.2 -0.718 35.8-144.8 -81.4 129.1 5.7 8.7 10.6 14 42 A G > - 0 0 0 -2,-0.4 3,-1.6 248,-0.2 4,-0.2 -0.314 24.8 -99.7 -95.4 174.5 9.0 10.3 9.5 15 43 A W T 3 S+ 0 0 2 276,-0.5 3,-0.4 1,-0.3 260,-0.2 0.752 120.9 51.2 -63.9 -27.7 12.2 11.4 11.2 16 44 A G T 3 S+ 0 0 4 258,-1.6 -1,-0.3 1,-0.2 259,-0.2 0.297 84.9 91.1 -94.1 9.4 11.1 15.0 11.2 17 45 A D S < S+ 0 0 1 -3,-1.6 2,-0.3 257,-0.4 10,-0.2 0.651 70.2 75.8 -82.4 -18.2 7.7 14.4 12.8 18 46 A L S > >S- 0 0 0 -3,-0.4 5,-2.1 -4,-0.2 3,-0.6 -0.765 75.6-132.9 -98.4 143.7 8.5 14.9 16.5 19 47 A G G > 5S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.925 111.2 51.4 -51.9 -50.5 9.1 18.2 18.2 20 48 A V G 3 5S+ 0 0 37 8,-0.3 -1,-0.2 1,-0.3 497,-0.1 0.748 106.0 56.4 -61.3 -24.9 12.3 16.8 19.9 21 49 A Y G < 5S- 0 0 4 -3,-0.6 -1,-0.3 495,-0.1 -2,-0.2 0.548 133.4 -89.2 -83.8 -6.7 13.4 15.7 16.4 22 50 A G T < 5 + 0 0 7 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.2 0.528 66.6 161.0 112.0 11.0 13.1 19.3 15.1 23 51 A E > < - 0 0 6 -5,-2.1 3,-1.3 1,-0.1 -1,-0.3 -0.493 38.2-138.8 -59.4 123.2 9.5 19.6 13.9 24 52 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 888,-0.1 0.795 96.7 55.3 -63.6 -30.9 9.0 23.4 13.9 25 53 A S T 3 S- 0 0 11 887,-0.2 -6,-0.1 512,-0.0 197,-0.1 0.655 92.3-146.2 -77.5 -15.9 5.4 23.4 15.3 26 54 A R < + 0 0 38 -3,-1.3 -8,-0.1 1,-0.1 776,-0.1 0.944 41.2 152.5 52.3 61.9 6.5 21.4 18.4 27 55 A E + 0 0 24 -10,-0.2 3,-0.1 1,-0.2 207,-0.1 0.161 46.6 78.7-112.6 14.9 3.2 19.5 18.7 28 56 A T > + 0 0 2 1,-0.1 4,-2.4 -5,-0.1 -8,-0.3 -0.521 45.2 153.7-119.0 64.9 4.5 16.3 20.4 29 57 A P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.843 74.4 50.1 -64.2 -33.7 4.9 17.3 24.1 30 58 A N H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.896 113.0 43.9 -71.7 -43.1 4.3 13.8 25.4 31 59 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.868 112.0 54.8 -67.4 -36.3 6.9 12.1 23.1 32 60 A D H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.892 109.1 47.8 -62.5 -38.3 9.3 15.0 23.8 33 61 A R H X S+ 0 0 129 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.818 108.4 54.5 -70.3 -32.9 8.8 14.2 27.5 34 62 A M H < S+ 0 0 1 -4,-1.6 3,-0.3 2,-0.2 271,-0.2 0.940 110.7 46.3 -62.2 -48.2 9.4 10.5 26.8 35 63 A A H >< S+ 0 0 7 -4,-2.6 3,-1.9 1,-0.2 270,-0.7 0.941 110.9 51.4 -56.8 -50.8 12.7 11.5 25.1 36 64 A A H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 114.3 45.1 -59.2 -26.7 13.6 13.8 28.0 37 65 A E T 3< S+ 0 0 66 -4,-1.3 261,-0.4 -3,-0.3 -1,-0.3 0.317 126.4 14.0 -97.9 4.8 13.0 10.9 30.4 38 66 A G S < S- 0 0 0 -3,-1.9 268,-2.1 -4,-0.2 267,-0.5 -0.521 94.6 -52.1-149.2-147.9 14.9 8.3 28.2 39 67 A L E -Cd 296 306A 9 257,-2.5 257,-2.5 266,-0.2 2,-0.4 -0.924 38.0-153.8-115.8 136.3 17.3 7.7 25.4 40 68 A L E -Cd 295 307A 5 266,-2.2 268,-2.5 -2,-0.4 255,-0.2 -0.920 2.5-153.3-112.9 135.5 17.0 9.1 21.8 41 69 A F + 0 0 0 253,-2.3 3,-0.4 -2,-0.4 253,-0.3 -0.928 14.3 177.8-108.0 109.6 18.4 7.5 18.7 42 70 A P S S+ 0 0 0 0, 0.0 267,-0.1 0, 0.0 -1,-0.1 0.550 83.5 50.3 -82.2 -7.9 19.3 9.9 15.8 43 71 A N S S+ 0 0 16 265,-0.5 269,-2.2 267,-0.3 2,-0.4 -0.433 78.9 134.4-127.9 53.9 20.7 7.1 13.7 44 72 A F E -j 312 0B 0 248,-0.5 248,-2.5 -3,-0.4 2,-0.4 -0.872 32.2-163.8-114.2 141.9 17.9 4.5 13.8 45 73 A Y E -jK 313 291B 1 267,-2.0 269,-2.2 -2,-0.4 246,-0.2 -0.934 16.9-139.9-131.3 143.6 16.5 2.5 10.8 46 74 A S - 0 0 2 244,-2.8 215,-0.1 -2,-0.4 214,-0.1 -0.254 32.8-115.6 -80.2-176.7 13.5 0.4 9.7 47 75 A A S S+ 0 0 2 213,-0.3 310,-0.4 1,-0.1 214,-0.1 0.404 86.2 12.6-108.5 0.9 14.1 -2.7 7.6 48 76 A N S S- 0 0 3 212,-0.3 -1,-0.1 241,-0.1 310,-0.1 -0.963 77.3-104.6-167.0 162.4 12.4 -1.8 4.3 49 77 A P S S+ 0 0 0 0, 0.0 234,-2.4 0, 0.0 2,-0.3 0.380 97.8 39.3 -82.1 7.5 10.8 1.3 2.6 50 78 A L S > S- 0 0 9 232,-0.2 4,-1.1 210,-0.2 5,-0.1 -0.889 88.4 -88.7-148.3-179.6 7.2 0.2 3.3 51 79 A X H > S+ 0 0 3 -2,-0.3 4,-2.1 2,-0.2 3,-0.4 0.945 102.3 41.8 -59.8 -74.5 4.8 -1.4 5.9 52 80 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 114.0 48.3 -53.5 -50.4 4.5 -5.2 5.7 53 81 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.890 113.9 48.4 -60.4 -38.3 8.2 -6.2 5.2 54 82 A S H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.845 111.4 49.1 -66.9 -38.7 9.3 -3.9 8.1 55 83 A R H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 112.3 48.3 -68.2 -38.2 6.6 -5.2 10.4 56 84 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.2 6,-0.3 0.852 110.7 52.4 -67.3 -35.3 7.7 -8.8 9.6 57 85 A A H X>S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 5,-0.6 0.881 108.2 50.2 -67.8 -41.3 11.3 -7.8 10.2 58 86 A L H <5S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.920 113.6 44.8 -58.5 -47.6 10.4 -6.4 13.6 59 87 A L H <5S+ 0 0 0 -4,-1.8 37,-1.9 1,-0.2 -1,-0.2 0.588 123.7 33.5 -80.8 -13.1 8.6 -9.5 14.7 60 88 A T H <5S- 0 0 1 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.538 94.6-130.2-113.4 -16.9 11.2 -12.0 13.4 61 89 A G T <5S+ 0 0 0 -4,-1.9 276,-2.3 1,-0.2 275,-1.7 0.681 75.5 111.4 68.5 21.4 14.4 -10.0 14.0 62 90 A R S > - 0 0 2 -2,-0.3 3,-2.1 1,-0.1 4,-2.1 -0.247 37.6-112.2 -59.1 146.3 15.4 -9.1 7.0 64 92 A P H 3>>S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 5,-0.9 0.778 118.2 62.6 -52.2 -29.7 12.5 -9.5 4.6 65 93 A I H 345S+ 0 0 11 1,-0.2 389,-2.6 2,-0.2 5,-0.1 0.731 110.4 40.0 -69.4 -21.6 14.7 -11.5 2.3 66 94 A R H <45S+ 0 0 28 -3,-2.1 -1,-0.2 387,-0.2 389,-0.1 0.806 118.5 44.5 -88.7 -39.4 15.1 -14.0 5.1 67 95 A N H <5S- 0 0 1 -4,-2.1 -2,-0.2 387,-0.1 26,-0.1 0.495 112.7-111.8 -90.5 -3.1 11.5 -14.0 6.3 68 96 A G T <5S+ 0 0 0 -4,-1.3 389,-3.2 -5,-0.3 2,-1.8 0.394 72.8 134.1 94.9 0.6 9.9 -14.1 2.8 69 97 A F < + 0 0 0 -5,-0.9 2,-0.3 387,-0.2 10,-0.2 -0.348 51.1 75.3 -89.0 60.8 8.4 -10.6 2.8 70 98 A Y S S- 0 0 13 -2,-1.8 388,-1.7 -6,-0.1 387,-0.4 -0.940 70.5-118.8-152.9 169.7 9.5 -9.5 -0.7 71 99 A T - 0 0 0 6,-0.5 289,-0.5 -2,-0.3 6,-0.3 -0.874 11.2-170.0-116.1 153.3 8.7 -10.1 -4.3 72 100 A T + 0 0 62 -2,-0.3 3,-0.1 287,-0.1 387,-0.1 0.231 62.5 106.6-115.8 6.5 10.8 -11.5 -7.2 73 101 A N S S- 0 0 43 1,-0.2 2,-0.3 385,-0.2 -1,-0.1 0.799 100.2 -7.4 -58.8 -31.8 8.2 -10.5 -9.9 74 102 A A S > S- 0 0 29 3,-0.1 3,-0.8 -3,-0.0 286,-0.4 -0.949 93.4 -81.9-156.2 161.4 10.6 -7.8 -11.0 75 103 A H T 3 S+ 0 0 126 -2,-0.3 284,-0.1 1,-0.2 -3,-0.1 -0.418 103.8 1.1 -74.8 142.6 13.9 -6.4 -9.5 76 104 A A T 3 S+ 0 0 0 282,-0.3 2,-0.5 1,-0.2 283,-0.3 0.836 88.6 156.3 52.8 42.9 13.9 -3.9 -6.6 77 105 A R < - 0 0 81 -3,-0.8 -6,-0.5 -6,-0.3 2,-0.3 -0.856 42.3-128.8-103.0 130.9 10.1 -3.8 -6.3 78 106 A N + 0 0 11 -2,-0.5 2,-0.3 280,-0.1 415,-0.3 -0.578 35.4 174.4 -69.2 131.5 8.3 -2.8 -3.2 79 107 A A + 0 0 3 -2,-0.3 2,-0.2 -10,-0.2 280,-0.1 -0.943 8.0 165.8-135.4 159.1 5.7 -5.3 -2.2 80 108 A Y - 0 0 82 -2,-0.3 35,-0.1 -28,-0.1 -10,-0.0 -0.812 47.5 -75.7-151.6-168.1 3.4 -5.7 0.8 81 109 A T + 0 0 0 -2,-0.2 35,-0.2 33,-0.2 33,-0.1 -0.718 50.5 173.0-104.7 81.6 0.3 -7.6 1.9 82 110 A P > - 0 0 9 0, 0.0 3,-1.8 0, 0.0 35,-0.2 -0.279 53.2 -87.5 -73.5 176.3 -2.8 -6.2 0.2 83 111 A Q T 3 S+ 0 0 5 1,-0.3 34,-0.0 33,-0.1 -2,-0.0 0.675 126.5 52.6 -54.3 -26.9 -6.2 -7.9 0.5 84 112 A E T 3 S+ 0 0 40 382,-0.1 378,-2.8 383,-0.1 -1,-0.3 0.416 77.7 125.3 -95.4 0.5 -5.5 -10.1 -2.5 85 113 A I B < -L 461 0C 0 -3,-1.8 376,-0.2 376,-0.2 32,-0.2 -0.379 45.3-161.0 -66.7 133.4 -2.2 -11.5 -1.4 86 114 A V S S+ 0 0 36 374,-2.6 -1,-0.1 371,-0.1 375,-0.1 0.871 70.4 53.7 -81.8 -38.7 -2.0 -15.3 -1.3 87 115 A G + 0 0 7 370,-0.7 2,-0.3 373,-0.6 30,-0.3 -0.018 55.8 150.8 -88.3-168.3 1.0 -15.6 1.0 88 116 A G - 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