==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYROLASE 05-OCT-01 1K45 . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR P.J.SIMPSON,S.J.JAMIESON,M.ABOU-HACHEM,E.NORDBERG-KARLSSON, . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 36.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 24 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.5 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 2 3 1 1 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 . 0 0 0 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 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 1 A M 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 -12.2 13.9 -8.7 2 2 A L + 0 0 162 4,-0.0 2,-0.3 1,-0.0 3,-0.1 0.070 360.0 178.2 -66.8-171.4 -8.4 14.2 -8.5 3 3 A V - 0 0 50 1,-0.2 162,-0.2 162,-0.0 77,-0.1 -0.982 41.5 -94.3-178.2 173.9 -6.6 13.4 -5.2 4 4 A A S S+ 0 0 2 160,-1.8 2,-0.3 -2,-0.3 -1,-0.2 0.991 108.1 54.1 -71.2 -60.7 -3.1 13.1 -3.6 5 5 A N S S- 0 0 5 159,-0.7 2,-0.5 73,-0.2 3,-0.2 -0.572 78.3-153.6 -75.8 131.7 -2.5 9.4 -4.1 6 6 A I S S- 0 0 60 71,-1.2 70,-0.3 -2,-0.3 4,-0.1 -0.911 73.6 -13.1-110.1 125.9 -2.9 8.4 -7.8 7 7 A N S > S+ 0 0 19 -2,-0.5 3,-1.7 1,-0.1 20,-0.3 0.845 81.8 152.3 57.8 30.1 -3.9 4.8 -8.7 8 8 A G T 3 S+ 0 0 4 1,-0.3 154,-0.9 -3,-0.2 153,-0.2 0.647 77.7 39.8 -67.2 -9.0 -3.1 3.9 -5.0 9 9 A G T 3 S- 0 0 5 151,-0.2 -1,-0.3 152,-0.2 46,-0.2 0.174 116.7-109.5-123.0 16.3 -5.7 1.1 -5.5 10 10 A F S X S+ 0 0 0 -3,-1.7 3,-1.2 -4,-0.1 46,-0.2 0.737 76.8 137.8 63.7 17.3 -4.8 0.0 -9.0 11 11 A E T 3 S+ 0 0 72 1,-0.3 -1,-0.1 44,-0.1 45,-0.1 0.964 76.0 37.4 -60.6 -49.8 -8.1 1.6 -10.1 12 12 A S T 3 S+ 0 0 99 43,-0.1 -1,-0.3 2,-0.1 14,-0.1 0.285 102.8 98.9 -85.2 14.7 -6.6 3.2 -13.2 13 13 A T S < S- 0 0 11 -3,-1.2 2,-0.3 12,-0.1 3,-0.1 -0.899 73.5-131.6-107.3 128.4 -4.4 0.1 -13.6 14 14 A P - 0 0 93 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.568 32.7-103.9 -77.0 130.8 -5.5 -2.6 -16.1 15 15 A A + 0 0 45 -2,-0.3 30,-0.2 28,-0.1 2,-0.1 0.112 68.3 115.3 -43.5 169.2 -5.5 -6.2 -14.8 16 16 A G E S-A 44 0A 41 28,-1.4 28,-1.4 -3,-0.1 29,-0.0 -0.146 72.5 -79.4 130.2 132.2 -2.6 -8.3 -15.9 17 17 A V E -A 43 0A 97 26,-0.2 26,-0.3 -2,-0.1 2,-0.2 -0.261 52.9-117.7 -56.8 142.4 0.4 -9.9 -14.1 18 18 A V - 0 0 26 24,-2.3 24,-0.2 1,-0.1 3,-0.2 -0.587 26.6-174.6 -84.8 146.9 3.2 -7.4 -13.5 19 19 A T S S+ 0 0 118 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.647 82.5 25.3-110.2 -25.5 6.6 -7.8 -15.1 20 20 A D > - 0 0 74 1,-0.1 3,-0.9 3,-0.1 -1,-0.2 -0.787 61.5-166.1-141.9 94.9 8.4 -4.9 -13.3 21 21 A L G > S+ 0 0 32 -2,-0.3 3,-1.0 1,-0.3 9,-0.6 0.867 94.0 58.5 -50.2 -34.4 6.9 -3.8 -10.0 22 22 A A G 3 S+ 0 0 49 1,-0.3 -1,-0.3 7,-0.2 9,-0.0 0.919 123.9 20.9 -64.3 -39.7 9.0 -0.7 -10.3 23 23 A E G < S+ 0 0 147 -3,-0.9 -1,-0.3 6,-0.0 -2,-0.2 -0.111 109.0 86.8-118.7 36.9 7.3 0.2 -13.6 24 24 A G S < S+ 0 0 33 -3,-1.0 2,-0.5 1,-0.3 -3,-0.2 0.840 91.2 23.0 -98.2 -76.7 4.1 -1.9 -13.2 25 25 A V - 0 0 5 3,-0.7 -1,-0.3 -4,-0.5 -12,-0.1 -0.797 63.1-154.4 -95.3 128.1 1.4 0.1 -11.3 26 26 A E S S+ 0 0 124 -2,-0.5 50,-0.2 1,-0.2 -1,-0.2 0.888 99.7 42.2 -68.0 -36.4 1.8 3.9 -11.5 27 27 A G S S+ 0 0 0 -20,-0.3 49,-1.3 1,-0.2 2,-0.4 0.658 123.9 39.6 -84.5 -13.9 -0.0 4.3 -8.2 28 28 A W E -F 75 0B 1 47,-0.3 -3,-0.7 -7,-0.1 2,-0.4 -0.971 64.8-176.4-139.0 126.4 1.8 1.4 -6.6 29 29 A D E -F 74 0B 22 45,-2.5 45,-2.3 -2,-0.4 2,-0.3 -0.922 10.8-156.3-118.9 144.1 5.5 0.4 -6.9 30 30 A L E -F 73 0B 4 -9,-0.6 2,-0.3 -2,-0.4 43,-0.2 -0.811 7.8-171.9-118.3 161.8 7.0 -2.7 -5.4 31 31 A N E -F 72 0B 87 41,-1.9 41,-1.1 -2,-0.3 2,-0.4 -0.910 5.4-162.0-154.3 123.3 10.6 -3.6 -4.4 32 32 A V E -F 71 0B 67 -2,-0.3 39,-0.2 39,-0.2 2,-0.2 -0.878 10.0-160.5-108.8 137.7 12.1 -6.9 -3.3 33 33 A G > - 0 0 39 37,-1.3 3,-1.8 -2,-0.4 -2,-0.0 -0.492 44.9 -85.4-105.6 179.6 15.5 -7.1 -1.5 34 34 A S T 3 S+ 0 0 132 1,-0.3 36,-0.1 -2,-0.2 -1,-0.1 0.721 121.2 77.3 -58.8 -14.9 17.8 -10.1 -1.0 35 35 A S T 3 S+ 0 0 8 34,-0.2 2,-1.5 35,-0.1 -1,-0.3 0.895 71.0 86.8 -63.7 -36.6 15.6 -10.8 2.0 36 36 A V < + 0 0 24 -3,-1.8 29,-0.1 34,-0.3 -1,-0.1 -0.443 52.0 171.0 -66.3 93.1 13.0 -12.3 -0.3 37 37 A T + 0 0 112 -2,-1.5 -1,-0.2 27,-0.3 27,-0.1 0.812 66.8 53.5 -74.7 -27.2 14.3 -15.9 -0.5 38 38 A N S S- 0 0 70 25,-0.8 24,-0.1 -3,-0.2 25,-0.1 -0.887 93.4-114.9-111.3 141.4 11.1 -16.9 -2.3 39 39 A P - 0 0 96 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.637 33.1-153.2 -77.0 111.8 9.8 -15.2 -5.5 40 40 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 21,-0.2 -0.266 16.7-113.3 -78.0 166.9 6.4 -13.6 -4.6 41 41 A V E - B 0 60A 58 19,-0.8 19,-1.4 2,-0.0 2,-0.6 -0.903 25.7-170.4-109.6 122.6 3.7 -13.0 -7.3 42 42 A F E + B 0 59A 22 -2,-0.6 -24,-2.3 -24,-0.2 2,-0.3 -0.911 26.8 140.5-111.0 112.8 2.8 -9.4 -8.2 43 43 A E E -AB 17 58A 47 15,-1.2 15,-1.8 -2,-0.6 2,-0.3 -0.997 44.4-125.4-151.5 145.8 -0.3 -9.2 -10.4 44 44 A V E -AB 16 57A 3 -28,-1.4 -28,-1.4 -2,-0.3 2,-0.3 -0.650 26.3-168.7 -91.0 148.6 -3.4 -6.9 -10.7 45 45 A L E - B 0 56A 47 11,-2.1 11,-1.9 -2,-0.3 2,-0.6 -0.986 16.2-140.9-137.1 147.7 -6.9 -8.4 -10.6 46 46 A E E + B 0 55A 109 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.904 33.7 156.1-112.0 112.0 -10.3 -6.9 -11.4 47 47 A T > - 0 0 42 -2,-0.6 3,-1.6 7,-0.6 -2,-0.1 -0.987 47.2-133.7-135.2 144.6 -13.1 -7.9 -9.0 48 48 A S T 3 S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 7,-0.1 0.737 106.6 67.4 -68.4 -18.1 -16.4 -6.3 -8.1 49 49 A D T 3 S+ 0 0 117 5,-0.1 -1,-0.3 3,-0.0 76,-0.1 0.644 73.9 128.1 -76.6 -10.7 -15.6 -7.0 -4.4 50 50 A A < - 0 0 13 -3,-1.6 3,-0.2 1,-0.1 6,-0.1 -0.070 61.9-136.5 -44.0 147.8 -12.7 -4.5 -4.7 51 51 A P S S+ 0 0 25 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.866 92.0 28.7 -78.2 -41.1 -12.7 -1.9 -2.0 52 52 A E S > S- 0 0 66 3,-0.2 3,-0.7 -43,-0.1 2,-0.6 -0.913 132.2 -39.0-126.3 108.2 -12.0 1.1 -4.2 53 53 A G T 3 S- 0 0 35 -2,-0.5 -42,-0.1 -3,-0.2 3,-0.1 -0.674 94.7 -69.4 81.9-121.6 -13.1 0.9 -7.9 54 54 A N T 3 S+ 0 0 80 -2,-0.6 -7,-0.6 -45,-0.1 2,-0.4 0.148 102.5 85.4-159.1 23.3 -12.6 -2.6 -9.2 55 55 A K E < +B 46 0A 43 -3,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.992 43.4 158.3-134.2 139.5 -8.8 -3.2 -9.5 56 56 A V E -B 45 0A 0 -11,-1.9 -11,-2.1 -2,-0.4 2,-0.9 -0.918 44.8-100.0-148.2 174.5 -6.3 -4.3 -6.8 57 57 A L E -BC 44 159A 0 102,-2.3 102,-1.4 -2,-0.3 2,-0.7 -0.811 32.6-162.1-104.8 99.2 -2.8 -5.9 -6.5 58 58 A A E -BC 43 158A 4 -15,-1.8 -15,-1.2 -2,-0.9 2,-0.4 -0.678 13.8-173.8 -81.7 114.1 -3.2 -9.6 -5.8 59 59 A V E -BC 42 157A 2 98,-2.1 98,-1.7 -2,-0.7 2,-0.8 -0.858 21.1-144.8-110.6 145.0 0.1 -10.8 -4.5 60 60 A T E -BC 41 156A 46 -19,-1.4 -19,-0.8 -2,-0.4 2,-0.4 -0.775 20.2-172.1-108.0 89.1 1.0 -14.4 -3.7 61 61 A V E + C 0 155A 2 94,-1.2 94,-1.7 -2,-0.8 93,-0.2 -0.672 22.9 145.7 -83.4 129.4 3.2 -14.4 -0.6 62 62 A N + 0 0 62 -2,-0.4 91,-0.1 1,-0.2 -1,-0.1 -0.239 57.8 35.1-160.1 61.6 4.7 -17.8 0.2 63 63 A G - 0 0 17 86,-0.2 -25,-0.8 -25,-0.1 -1,-0.2 0.035 61.2-160.5 150.1 94.9 8.2 -17.6 1.6 64 64 A V - 0 0 49 -27,-0.1 -27,-0.3 -28,-0.1 2,-0.2 -0.071 15.2-137.8 -79.9-171.3 9.6 -14.9 4.0 65 65 A G - 0 0 23 2,-0.6 -29,-0.1 83,-0.5 -30,-0.1 -0.578 36.6 -79.3-132.7-163.0 13.3 -14.2 4.5 66 66 A N S S+ 0 0 160 -31,-0.3 -30,-0.1 -2,-0.2 -31,-0.1 0.433 110.8 65.8 -85.1 4.1 15.7 -13.4 7.4 67 67 A N S S- 0 0 66 -32,-0.2 -2,-0.6 81,-0.1 3,-0.4 -0.949 80.4-131.2-127.9 149.3 14.4 -9.8 7.3 68 68 A P S S+ 0 0 62 0, 0.0 79,-0.1 0, 0.0 -1,-0.0 0.239 101.8 63.1 -78.6 13.4 11.1 -8.2 8.1 69 69 A W + 0 0 145 77,-0.1 -36,-0.3 1,-0.1 -34,-0.2 -0.338 58.7 124.4-135.3 56.9 11.3 -6.3 4.8 70 70 A D S S+ 0 0 0 -3,-0.4 -37,-1.3 78,-0.4 2,-0.5 0.973 78.4 26.5 -79.3 -67.5 11.3 -8.8 2.0 71 71 A I E S+FG 32 147B 3 76,-1.4 76,-1.5 -39,-0.2 2,-0.4 -0.828 72.9 177.4 -98.5 128.7 8.4 -7.7 -0.2 72 72 A E E -FG 31 146B 55 -41,-1.1 -41,-1.9 -2,-0.5 2,-0.6 -0.964 11.8-171.8-134.5 122.0 7.5 -4.0 0.0 73 73 A A E -FG 30 145B 0 72,-1.9 72,-1.3 -2,-0.4 -43,-0.3 -0.904 12.6-175.8-114.7 108.3 4.7 -2.3 -2.0 74 74 A T E -FG 29 144B 13 -45,-2.3 -45,-2.5 -2,-0.6 2,-0.4 -0.598 17.5-132.9 -97.9 163.1 4.7 1.5 -1.7 75 75 A A E -FG 28 143B 0 68,-1.7 68,-0.9 -47,-0.2 -47,-0.3 -0.934 36.5-127.7-118.3 139.7 2.2 3.9 -3.2 76 76 A F E + 0 0 61 -49,-1.3 2,-0.1 -2,-0.4 66,-0.1 -0.953 45.8 2.0 175.8 169.3 3.0 7.1 -5.1 77 77 A P E - 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