==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-11 4AD3 . COMPND 2 MOLECULE: GLYCOSYL HYDROLASE FAMILY 71; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES XYLANISOLVENS; . AUTHOR A.J.THOMPSON,R.J.WILLIAMS,Z.HAKKI,D.S.ALONZI,T.WENNEKES,T.M. . 1377 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 949 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 167 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 115 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.4 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 0 4 0 3 5 4 1 6 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 17 3 4 4 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 . 16 1 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 0 0 0 4 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 35 A T 0 0 115 0, 0.0 82,-0.1 0, 0.0 334,-0.0 0.000 360.0 360.0 360.0 -46.9 -43.4 51.8 9.8 2 36 A E - 0 0 131 1,-0.1 2,-0.2 2,-0.0 83,-0.1 -0.178 360.0-122.6 -47.6 137.4 -46.2 50.5 7.7 3 37 A L - 0 0 13 81,-0.1 2,-0.7 82,-0.1 81,-0.2 -0.615 21.2-123.8 -76.7 144.5 -46.6 52.3 4.3 4 38 A D E > -a 84 0A 2 79,-3.0 81,-2.2 -2,-0.2 3,-1.1 -0.864 18.2-166.2 -94.7 118.8 -50.0 53.9 3.7 5 39 A Y E 3 S+ 0 0 74 -2,-0.7 -1,-0.1 1,-0.3 79,-0.1 0.300 85.7 58.6 -89.2 10.1 -51.5 52.7 0.4 6 40 A D E 3 S+ 0 0 21 146,-0.0 286,-2.2 285,-0.0 2,-0.5 0.052 87.8 89.8-116.4 23.0 -54.2 55.4 0.3 7 41 A T E < - b 0 292A 0 -3,-1.1 79,-1.5 284,-0.2 2,-0.5 -0.979 61.2-166.0-121.7 119.7 -51.6 58.1 0.3 8 42 A F E -ab 86 293A 2 284,-2.5 286,-3.2 -2,-0.5 2,-0.6 -0.912 4.8-162.4-115.6 121.9 -50.4 59.2 -3.2 9 43 A C E -ab 87 294A 0 77,-2.9 79,-2.6 -2,-0.5 2,-0.3 -0.892 23.2-124.3-108.9 122.6 -47.3 61.3 -3.7 10 44 A F E -a 88 0A 0 284,-2.5 287,-2.8 -2,-0.6 288,-0.9 -0.476 33.3-167.2 -70.4 123.9 -46.9 63.0 -7.1 11 45 A Y E -a 89 0A 0 77,-2.5 79,-2.6 -2,-0.3 2,-0.5 -0.913 13.4-153.0-122.9 137.7 -43.6 62.0 -8.7 12 46 A Y - 0 0 5 -2,-0.4 3,-0.2 77,-0.2 77,-0.1 -0.939 11.9-180.0-116.4 124.8 -41.7 63.5 -11.6 13 47 A D + 0 0 9 -2,-0.5 53,-0.1 1,-0.1 -1,-0.1 -0.021 57.8 98.4-110.4 25.5 -39.3 61.4 -13.7 14 48 A W + 0 0 37 51,-0.1 2,-0.3 52,-0.1 -1,-0.1 0.340 49.5 114.2-100.1 7.2 -38.2 64.1 -16.1 15 49 A Y - 0 0 4 -3,-0.2 51,-3.2 11,-0.1 52,-0.4 -0.595 43.4-171.5 -85.4 141.0 -34.9 65.2 -14.6 16 50 A G - 0 0 0 9,-2.2 2,-0.3 49,-0.3 11,-0.3 -0.902 14.8-152.8-129.9 156.6 -31.6 64.5 -16.5 17 51 A S >> - 0 0 14 -2,-0.3 4,-3.1 7,-0.2 5,-1.0 -0.936 27.6-124.1-120.5 153.2 -27.9 64.7 -16.0 18 52 A E H >5S+ 0 0 124 -2,-0.3 4,-1.3 4,-0.3 -1,-0.1 0.935 112.2 55.4 -52.7 -47.4 -25.1 65.3 -18.5 19 53 A A H 45S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.823 125.3 18.1 -59.2 -38.2 -23.5 62.0 -17.4 20 54 A I H 45S+ 0 0 82 -3,-0.2 -2,-0.2 3,-0.1 -1,-0.2 0.818 138.8 26.7-104.7 -41.7 -26.6 59.8 -18.0 21 55 A D H <5S- 0 0 47 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.521 97.6-118.3-104.8 -7.3 -28.9 61.8 -20.3 22 56 A G S < - 0 0 53 -2,-0.3 4,-2.2 23,-0.2 -7,-0.2 -0.424 49.5-163.5 -80.6 65.6 -29.4 68.6 -17.5 25 59 A R B 4 -j 28 0B 93 -2,-2.2 -9,-2.2 1,-0.2 2,-1.5 -0.241 66.3 -1.1 -58.7 138.6 -33.0 68.1 -18.6 26 60 A H T 4 S+ 0 0 44 2,-0.8 -1,-0.2 -11,-0.2 28,-0.2 -0.159 118.1 77.4 67.3 -37.7 -35.6 70.0 -16.5 27 61 A W T 4 S+ 0 0 1 -2,-1.5 27,-1.7 -11,-0.3 21,-0.5 0.891 99.9 52.6 -58.4 -37.8 -32.9 71.6 -14.3 28 62 A A E < S+jK 25 47B 37 -4,-2.2 -2,-0.8 19,-0.3 2,-0.3 -0.851 86.8 160.8 -89.9 137.3 -32.5 73.6 -17.5 29 63 A H E - K 0 46B 55 17,-1.7 17,-2.9 -2,-0.4 2,-0.1 -0.989 42.4-101.7-162.5 143.9 -35.9 75.0 -18.4 30 64 A A E - K 0 45B 60 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.431 36.8-123.1 -66.3 139.0 -37.7 77.7 -20.4 31 65 A I - 0 0 34 13,-2.4 13,-0.2 -2,-0.1 230,-0.2 -0.748 34.3-116.8 -81.3 133.2 -38.9 80.8 -18.5 32 66 A A - 0 0 27 228,-3.1 231,-0.2 -2,-0.4 -1,-0.0 -0.491 21.2-118.3 -77.4 136.8 -42.6 81.2 -19.1 33 67 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.348 36.8 -99.8 -65.6 151.6 -44.0 84.3 -20.9 34 68 A D > - 0 0 54 1,-0.1 3,-1.3 2,-0.1 7,-0.1 -0.638 25.2-144.6 -70.6 123.8 -46.4 86.5 -18.8 35 69 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.809 104.1 39.1 -61.3 -30.2 -50.0 85.5 -19.9 36 70 A N T 3 S+ 0 0 154 -3,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.294 101.0 103.8 -99.9 7.6 -51.0 89.2 -19.5 37 71 A G S < S- 0 0 30 -3,-1.3 4,-0.0 1,-0.1 0, 0.0 -0.063 79.7 -73.8 -77.9-175.4 -47.7 90.5 -20.9 38 72 A G - 0 0 65 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.382 45.4 -99.6 -63.9-157.1 -47.2 91.9 -24.4 39 73 A S S S+ 0 0 133 1,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.790 109.4 43.4-102.8 -36.3 -47.0 90.1 -27.7 40 74 A G S S+ 0 0 79 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.316 76.3 164.3-111.7 49.3 -43.3 89.7 -28.5 41 75 A Q - 0 0 71 -3,-0.2 -4,-0.0 -2,-0.1 0, 0.0 -0.281 25.0-165.3 -66.9 148.8 -41.9 88.7 -25.1 42 76 A N + 0 0 155 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.640 17.5 166.4-132.1 75.8 -38.5 87.1 -24.8 43 77 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.785 32.0-150.5 -69.1 -29.1 -38.4 85.6 -21.3 44 78 A G - 0 0 36 -13,-0.2 -13,-2.4 2,-0.0 2,-0.3 -0.477 12.1 -83.0 93.0-166.9 -35.3 83.5 -21.8 45 79 A T E -K 30 0B 106 -15,-0.3 -15,-0.2 -2,-0.2 -17,-0.0 -0.930 20.6-121.1-139.2 162.6 -34.2 80.2 -20.3 46 80 A I E -K 29 0B 4 -17,-2.9 -17,-1.7 -2,-0.3 8,-0.1 -0.945 24.1-145.8-104.3 126.7 -32.5 78.8 -17.2 47 81 A P E -K 28 0B 76 0, 0.0 -19,-0.3 0, 0.0 -23,-0.2 0.632 22.3-128.7 -75.0 -14.2 -29.3 76.9 -18.2 48 82 A G + 0 0 1 4,-1.3 -20,-0.2 -21,-0.5 5,-0.2 0.834 55.2 148.7 66.6 30.4 -29.4 74.1 -15.5 49 83 A T - 0 0 46 3,-1.1 -1,-0.2 -22,-0.2 3,-0.1 -0.376 67.2 -97.9 -76.8 171.8 -25.8 74.8 -14.5 50 84 A Q S S+ 0 0 97 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.942 126.9 45.8 -55.6 -44.1 -24.8 74.1 -10.8 51 85 A E S S+ 0 0 77 1,-0.2 2,-0.4 265,-0.0 -1,-0.2 0.791 119.6 38.7 -69.3 -30.6 -25.3 77.9 -10.1 52 86 A S + 0 0 4 264,-0.1 -4,-1.3 -3,-0.1 -3,-1.1 -0.862 66.6 159.3-136.3 100.0 -28.6 78.2 -11.9 53 87 A I - 0 0 0 -2,-0.4 2,-1.9 2,-0.3 -25,-0.2 -0.773 51.6-102.1-115.6 164.3 -31.4 75.6 -11.9 54 88 A A S S+ 0 0 1 -27,-1.7 2,-0.3 -2,-0.3 206,-0.1 -0.366 92.1 79.6 -84.6 57.8 -35.1 75.9 -12.6 55 89 A S S S- 0 0 0 -2,-1.9 -2,-0.3 -28,-0.1 246,-0.2 -0.972 71.8-137.4-154.1 152.1 -36.2 75.8 -9.0 56 90 A N S S+ 0 0 5 244,-0.6 264,-3.1 200,-0.4 2,-0.2 0.574 97.9 49.3 -82.6 -12.9 -36.4 78.3 -6.1 57 91 A F S S- 0 0 6 243,-0.4 264,-0.1 262,-0.2 -4,-0.1 -0.595 83.0-128.6-114.0 176.2 -35.0 75.5 -3.9 58 92 A Y - 0 0 14 262,-0.4 252,-2.5 252,-0.3 2,-0.1 -0.985 20.8-121.9-133.6 125.6 -32.0 73.2 -4.4 59 93 A P B > -L 309 0C 2 0, 0.0 3,-1.8 0, 0.0 250,-0.3 -0.374 7.8-138.9 -68.5 137.8 -32.0 69.4 -4.1 60 94 A Q T 3 S+ 0 0 98 248,-2.2 249,-0.1 1,-0.3 3,-0.1 0.781 108.7 54.7 -57.0 -31.3 -29.7 67.7 -1.6 61 95 A L T 3 S- 0 0 39 247,-0.4 -1,-0.3 1,-0.3 248,-0.1 0.439 106.8-139.8 -84.9 0.3 -29.1 65.1 -4.4 62 96 A G < - 0 0 21 -3,-1.8 2,-2.0 1,-0.1 -1,-0.3 -0.293 58.2 -18.0 72.4-159.3 -28.0 67.9 -6.8 63 97 A R S S- 0 0 56 -3,-0.1 -1,-0.1 -5,-0.0 2,-0.0 -0.538 89.0-176.7 -84.5 78.9 -28.9 68.0 -10.5 64 98 A Y - 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