==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-03 1P49 . COMPND 2 MOLECULE: STERYL-SULFATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.G.HERNANDEZ-GUZMAN,T.HIGASHIYAMA,W.PANGBORN,Y.OSAWA,D.GHOS . 548 3 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.5 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 . 44 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 4 0 0 2 1 1 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 1 1 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 . 1 2 2 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 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 23 A A 0 0 83 0, 0.0 387,-0.2 0, 0.0 386,-0.1 0.000 360.0 360.0 360.0 98.8 71.7 28.6 20.2 2 24 A A + 0 0 68 385,-1.6 386,-0.2 384,-0.1 387,-0.1 0.714 360.0 136.2 59.1 19.8 68.2 29.2 21.5 3 25 A S - 0 0 42 384,-0.1 386,-0.2 385,-0.0 385,-0.1 0.893 50.7-151.7 -62.8 -43.9 67.3 28.0 18.0 4 26 A R + 0 0 97 384,-3.0 385,-0.2 383,-0.1 254,-0.1 0.870 31.2 162.5 72.6 40.7 64.5 25.8 19.4 5 27 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 308,-0.2 -0.279 47.5 -85.3 -83.2 175.2 64.5 23.1 16.6 6 28 A N E -a 313 0A 15 306,-1.9 308,-3.6 303,-0.2 2,-0.5 -0.628 42.1-150.7 -80.6 139.4 63.0 19.7 16.8 7 29 A I E -ab 314 259A 0 251,-2.6 253,-2.9 -2,-0.3 2,-0.6 -0.965 13.4-175.1-117.2 121.0 65.4 17.1 18.4 8 30 A I E -ab 315 260A 0 306,-3.2 308,-2.9 -2,-0.5 2,-0.7 -0.956 4.7-169.0-118.4 111.9 65.2 13.4 17.4 9 31 A L E -ab 316 261A 1 251,-3.3 253,-2.9 -2,-0.6 2,-0.6 -0.899 5.1-171.6-103.2 111.8 67.5 11.1 19.4 10 32 A V E -ab 317 262A 4 306,-2.5 308,-2.0 -2,-0.7 2,-0.5 -0.922 3.9-178.2-110.8 116.9 67.7 7.6 18.0 11 33 A M E -ab 318 263A 5 251,-2.6 253,-1.2 -2,-0.6 2,-0.3 -0.959 10.9-157.0-120.6 117.7 69.5 5.0 19.9 12 34 A A E -a 319 0A 0 306,-3.5 308,-1.5 -2,-0.5 2,-0.7 -0.687 26.4-114.8 -88.8 145.3 70.0 1.5 18.6 13 35 A D S S- 0 0 0 253,-3.5 306,-0.1 -2,-0.3 309,-0.0 -0.733 83.1 -25.7 -87.8 115.5 70.6 -1.3 21.2 14 36 A D S S+ 0 0 4 -2,-0.7 2,-0.3 1,-0.2 310,-0.2 0.465 82.3 162.4 64.3 7.7 74.0 -2.9 20.9 15 37 A L - 0 0 1 251,-0.2 -1,-0.2 308,-0.1 322,-0.1 -0.403 38.7-124.1 -60.9 116.6 74.5 -2.1 17.2 16 38 A G > - 0 0 0 -2,-0.3 3,-1.4 320,-0.2 323,-0.2 -0.218 9.1-123.4 -63.5 152.5 78.2 -2.5 16.5 17 39 A I T 3 S+ 0 0 11 1,-0.3 322,-0.2 335,-0.2 -1,-0.1 0.763 112.3 56.4 -67.1 -22.9 80.2 0.4 15.0 18 40 A G T 3 S+ 0 0 12 320,-1.2 -1,-0.3 1,-0.2 322,-0.3 0.001 92.9 72.7 -98.9 30.5 81.1 -2.0 12.2 19 41 A D S < S+ 0 0 4 -3,-1.4 9,-0.2 6,-0.1 -1,-0.2 0.747 72.2 82.1-112.6 -34.6 77.6 -2.9 11.1 20 42 A P S > >S- 0 0 0 0, 0.0 5,-0.9 0, 0.0 3,-0.8 -0.213 78.7-120.3 -69.6 166.9 76.0 0.1 9.3 21 43 A G G > 5S+ 0 0 24 9,-0.3 3,-1.9 1,-0.2 2,-1.4 0.987 108.9 59.6 -68.2 -57.8 76.7 0.9 5.6 22 44 A C G 3 5S+ 0 0 23 8,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.179 106.8 50.4 -59.5 21.8 78.2 4.3 6.2 23 45 A Y G < 5S- 0 0 44 -2,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.472 127.8 -69.4-138.1 -7.0 80.9 2.8 8.4 24 46 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.1 1,-0.5 -6,-0.1 -0.161 89.5 118.5 146.4 -47.7 82.5 -0.1 6.5 25 47 A N < - 0 0 23 -5,-0.9 -1,-0.5 1,-0.1 -2,-0.2 -0.152 34.3-177.6 -47.9 143.3 80.0 -2.9 6.3 26 48 A K S S+ 0 0 199 -3,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 0.515 73.4 50.8-122.6 -13.2 79.2 -3.8 2.7 27 49 A T S S+ 0 0 86 -8,-0.1 2,-0.2 2,-0.0 -6,-0.1 0.737 86.9 87.8 -99.0 -27.4 76.6 -6.5 3.1 28 50 A I S S- 0 0 14 -9,-0.2 2,-1.2 -8,-0.1 253,-0.1 -0.505 73.7-130.7 -77.1 141.1 74.1 -5.0 5.6 29 51 A R + 0 0 135 -2,-0.2 3,-0.2 258,-0.2 265,-0.1 -0.630 48.4 145.6 -93.9 80.4 71.2 -2.9 4.2 30 52 A T > + 0 0 3 -2,-1.2 4,-1.4 1,-0.2 -8,-0.3 -0.415 16.9 142.9-108.5 54.8 71.3 0.3 6.4 31 53 A P H >> + 0 0 66 0, 0.0 4,-2.8 0, 0.0 3,-1.0 0.967 65.9 49.6 -59.2 -62.3 70.2 2.7 3.7 32 54 A N H 34 S+ 0 0 30 1,-0.3 -2,-0.1 2,-0.2 263,-0.1 0.768 112.3 51.2 -51.3 -27.9 68.0 5.2 5.6 33 55 A I H 34 S+ 0 0 0 -3,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.817 110.5 46.1 -80.3 -32.1 70.8 5.5 8.2 34 56 A D H XX S+ 0 0 41 -4,-1.4 4,-2.3 -3,-1.0 2,-1.9 0.817 101.9 68.4 -74.3 -31.4 73.4 6.2 5.5 35 57 A R T 3< S+ 0 0 92 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 -0.279 104.1 44.9 -79.3 47.2 70.8 8.6 4.2 36 58 A L T 34 S+ 0 0 1 -2,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.211 108.0 53.1-162.9 -20.5 71.6 10.5 7.4 37 59 A A T X4 S+ 0 0 10 -3,-1.4 3,-0.6 -4,-0.3 332,-0.5 0.740 109.2 49.4 -93.7 -32.1 75.4 10.4 7.3 38 60 A S T 3< S+ 0 0 94 -4,-2.3 -3,-0.1 1,-0.2 -1,-0.1 0.671 110.8 53.2 -78.3 -18.8 75.5 11.8 3.8 39 61 A G T 3 S- 0 0 25 -5,-0.3 323,-0.3 329,-0.2 -1,-0.2 0.445 126.8 -15.5 -95.4 -0.8 73.2 14.5 4.9 40 62 A G S < S- 0 0 0 -3,-0.6 329,-0.7 328,-0.2 2,-0.3 -0.705 96.6 -22.6-164.1-144.5 75.3 15.5 7.9 41 63 A V E -C 360 0A 0 319,-2.2 319,-2.2 -2,-0.2 2,-0.6 -0.680 37.6-155.6 -94.2 145.4 78.2 14.6 10.2 42 64 A K E -Cd 359 371A 47 328,-0.7 330,-0.6 -2,-0.3 2,-0.4 -0.953 15.8-141.1-119.1 108.7 79.5 11.2 11.0 43 65 A L E -Cd 358 372A 0 315,-4.0 315,-0.8 -2,-0.6 3,-0.3 -0.568 17.0-174.6 -69.1 126.1 81.3 10.9 14.3 44 66 A T S S+ 0 0 34 328,-2.0 329,-0.2 -2,-0.4 -1,-0.2 0.545 82.3 34.8 -98.6 -12.3 84.3 8.6 13.7 45 67 A Q S S+ 0 0 4 329,-0.4 331,-2.5 327,-0.3 2,-0.7 -0.308 74.9 158.2-136.8 51.9 85.3 8.5 17.4 46 68 A H E -k 376 0B 0 310,-0.6 2,-0.6 -3,-0.3 331,-0.2 -0.704 25.0-158.2 -82.4 118.2 82.0 8.6 19.3 47 69 A L E -k 377 0B 2 329,-4.7 331,-2.4 -2,-0.7 332,-0.3 -0.861 8.2-144.9-106.6 116.3 82.6 7.2 22.8 48 70 A A - 0 0 1 306,-2.7 8,-0.1 -2,-0.6 274,-0.1 -0.516 24.1-124.1 -71.7 139.1 79.7 5.7 24.9 49 71 A A S S+ 0 0 7 7,-0.2 374,-0.5 -2,-0.2 -1,-0.1 0.494 88.3 12.7 -65.4 -2.4 80.3 6.5 28.7 50 72 A S - 0 0 0 270,-0.3 374,-0.1 303,-0.2 -1,-0.1 -0.974 64.7-124.8-169.3 155.9 80.0 2.7 29.4 51 73 A P 0 0 2 0, 0.0 296,-0.2 0, 0.0 297,-0.1 0.505 360.0 360.0 -83.2 -6.8 80.0 -0.8 27.9 52 74 A L 0 0 23 294,-0.1 4,-1.9 295,-0.1 5,-0.3 -0.801 360.0 360.0-111.6 360.0 76.7 -1.7 29.5 53 ! 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 54 76 A T > 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.0 72.0 0.9 32.0 55 77 A P H > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.921 360.0 51.0 -66.0 -39.4 75.0 3.0 32.8 56 78 A S H > S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -7,-0.2 0.961 113.8 44.3 -59.3 -52.6 75.5 4.2 29.2 57 79 A R H > S+ 0 0 5 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.899 111.1 55.5 -58.1 -39.8 71.9 5.2 29.0 58 80 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 6,-0.3 0.917 110.5 45.3 -58.8 -42.0 72.2 6.8 32.4 59 81 A A H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.4 0.852 110.9 52.9 -70.2 -37.3 75.1 8.9 31.1 60 82 A F H < S+ 0 0 2 -4,-2.4 -2,-0.2 2,-0.2 322,-0.2 0.978 110.8 46.3 -61.3 -56.1 73.3 9.8 27.9 61 83 A M H < S+ 0 0 9 -4,-2.7 35,-1.5 1,-0.2 36,-0.3 0.788 127.5 28.3 -57.6 -31.0 70.2 11.1 29.8 62 84 A T H < S- 0 0 0 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.665 88.4-134.0-108.7 -21.1 72.4 13.0 32.2 63 85 A G S < S+ 0 0 0 -4,-3.5 338,-2.2 1,-0.3 337,-1.5 0.732 74.1 109.7 70.7 20.3 75.6 14.0 30.5 64 86 A R S S- 0 0 19 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.930 80.7 -93.4-128.5 150.6 77.3 12.8 33.7 65 87 A Y >> - 0 0 7 -2,-0.3 3,-2.1 1,-0.1 4,-0.7 -0.373 39.5-113.8 -63.2 138.4 79.5 9.8 34.3 66 88 A P G >4>S+ 0 0 1 0, 0.0 5,-3.2 0, 0.0 3,-0.7 0.787 113.9 61.8 -42.5 -33.8 77.6 6.8 35.6 67 89 A V G >45S+ 0 0 22 3,-0.2 3,-0.7 1,-0.2 5,-0.1 0.800 91.1 63.9 -69.1 -28.1 79.5 7.1 39.0 68 90 A R G <45S+ 0 0 8 -3,-2.1 -1,-0.2 1,-0.3 -3,-0.0 0.819 114.0 33.7 -65.4 -29.2 78.2 10.6 39.8 69 91 A S G <<5S- 0 0 0 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.284 113.6-118.4-105.8 6.3 74.6 9.2 40.0 70 92 A G T < 5 + 0 0 8 -3,-0.7 452,-1.8 -5,-0.2 2,-0.3 0.892 68.0 142.1 58.6 40.2 75.8 5.9 41.4 71 93 A M < + 0 0 0 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.438 44.8 76.9-111.1 57.8 74.4 4.1 38.4 72 94 A A S S- 0 0 4 -2,-0.3 451,-0.3 -5,-0.1 2,-0.2 -0.913 73.2-128.9-161.1 135.3 77.2 1.5 37.9 73 95 A S - 0 0 0 -2,-0.3 353,-1.9 2,-0.1 354,-0.4 -0.526 13.6-153.4 -96.7 160.5 77.7 -1.6 40.0 74 96 A W S S+ 0 0 132 -2,-0.2 -1,-0.1 351,-0.2 390,-0.1 0.515 82.0 73.7-100.0 -11.1 80.7 -3.2 41.9 75 97 A S S S- 0 0 18 2,-0.3 351,-0.1 448,-0.2 -2,-0.1 -0.300 104.4 -92.2 -93.7-178.8 79.1 -6.6 41.4 76 98 A R S S+ 0 0 111 -2,-0.1 2,-0.8 1,-0.1 -1,-0.0 0.591 106.6 85.5 -71.6 -9.8 78.9 -8.8 38.4 77 99 A T + 0 0 29 1,-0.1 -2,-0.3 446,-0.1 -1,-0.1 -0.838 47.4 165.5 -96.2 106.4 75.4 -7.3 37.6 78 100 A G + 0 0 7 -2,-0.8 2,-0.3 -6,-0.1 -1,-0.1 0.400 62.2 41.0-101.3 1.1 75.9 -4.1 35.6 79 101 A V S S- 0 0 30 -25,-0.1 2,-0.1 -7,-0.1 36,-0.1 -0.985 91.5 -93.7-145.3 154.0 72.4 -3.6 34.5 80 102 A F + 0 0 2 -2,-0.3 3,-0.1 34,-0.3 448,-0.1 -0.462 34.7 175.5 -69.2 138.6 68.9 -4.0 36.0 81 103 A L + 0 0 24 447,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.422 61.8 63.0-121.0 -6.2 67.3 -7.4 35.3 82 104 A F > - 0 0 28 446,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.968 59.8-156.4-128.6 122.4 64.1 -7.0 37.3 83 105 A T T 3 S+ 0 0 13 -2,-0.5 2,-0.5 1,-0.3 35,-0.4 0.840 97.0 60.6 -59.9 -30.9 61.4 -4.5 36.6 84 106 A A T 3 S+ 0 0 0 134,-0.1 447,-2.7 33,-0.1 2,-0.3 -0.231 81.9 106.0 -93.5 46.2 60.4 -4.8 40.3 85 107 A S < - 0 0 3 -3,-0.9 32,-0.5 -2,-0.5 33,-0.4 -0.856 69.5-130.9-118.0 159.6 63.7 -3.7 41.8 86 108 A S + 0 0 5 440,-0.4 2,-0.2 -2,-0.3 442,-0.2 0.475 70.0 107.9 -92.6 -0.8 64.2 -0.3 43.4 87 109 A G + 0 0 0 440,-2.1 2,-0.3 437,-0.1 30,-0.3 -0.532 43.7 129.9 -76.9 138.7 67.4 0.8 41.7 88 110 A G - 0 0 0 -2,-0.2 28,-0.3 28,-0.2 3,-0.1 -0.994 63.2 -48.3-172.2 173.7 67.1 3.6 39.1 89 111 A L S S- 0 0 0 26,-2.6 4,-0.1 -2,-0.3 -19,-0.1 -0.399 80.7 -96.1 -55.7 117.5 68.2 6.9 37.7 90 112 A P > - 0 0 11 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.021 20.5-128.5 -42.6 134.2 68.3 9.0 40.9 91 113 A T T 3 S+ 0 0 108 1,-0.3 -2,-0.1 -3,-0.1 36,-0.0 0.765 110.1 54.2 -55.0 -27.9 65.3 11.1 41.7 92 114 A D T 3 S+ 0 0 100 -23,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.362 86.4 100.1 -90.7 -0.6 67.7 14.1 42.1 93 115 A E < - 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