==== 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 HYDROLASE 05-OCT-01 1K42 . 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) . 8383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.1 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 . 66 39.3 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 . 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 . 27 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.0 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+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 . 2 2 0 0 2 1 3 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 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 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 0 207 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.3 -12.3 14.4 -7.8 2 2 A L - 0 0 178 2,-0.0 2,-0.1 4,-0.0 4,-0.1 -0.351 360.0-169.1 -57.1 101.3 -8.5 14.8 -8.2 3 3 A V - 0 0 43 -2,-0.8 162,-0.2 2,-0.2 -1,-0.0 -0.364 32.2-111.3 -88.0 173.5 -7.3 13.2 -4.9 4 4 A A S S+ 0 0 7 160,-1.8 2,-0.5 -2,-0.1 75,-0.4 0.947 104.0 62.1 -71.7 -46.6 -3.8 13.3 -3.6 5 5 A N S S- 0 0 5 159,-0.9 2,-0.5 73,-0.2 -2,-0.2 -0.672 73.4-163.0 -82.6 125.8 -3.1 9.6 -4.1 6 6 A I S S- 0 0 74 71,-1.0 70,-0.2 -2,-0.5 4,-0.1 -0.925 74.1 -8.8-112.2 123.4 -3.3 8.6 -7.8 7 7 A N S > S+ 0 0 12 -2,-0.5 3,-2.1 1,-0.1 20,-0.3 0.682 86.7 140.2 69.0 12.9 -3.7 4.9 -8.7 8 8 A G T 3 S+ 0 0 2 1,-0.3 154,-0.7 2,-0.1 153,-0.2 0.817 77.1 42.8 -59.1 -25.0 -3.1 4.2 -5.0 9 9 A G T 3 S- 0 0 4 152,-0.2 -1,-0.3 151,-0.2 46,-0.3 -0.112 123.2-103.8-111.0 36.6 -5.8 1.5 -5.4 10 10 A F S < S+ 0 0 0 -3,-2.1 44,-0.2 152,-0.1 -2,-0.1 0.931 72.8 147.5 43.6 53.2 -4.5 0.2 -8.8 11 11 A E S S+ 0 0 61 1,-0.1 -1,-0.1 42,-0.1 43,-0.1 0.930 72.8 33.0 -84.0 -49.6 -7.4 2.1 -10.5 12 12 A S S S+ 0 0 82 2,-0.1 -1,-0.1 43,-0.1 -2,-0.1 0.698 98.3 99.9 -79.6 -16.5 -5.7 2.9 -13.8 13 13 A T S S- 0 0 11 -6,-0.1 2,-0.2 42,-0.1 3,-0.1 -0.604 72.1-141.2 -74.5 114.7 -3.7 -0.3 -13.6 14 14 A P - 0 0 87 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.536 31.4 -90.6 -77.1 136.9 -5.5 -2.8 -15.9 15 15 A A S S+ 0 0 45 -2,-0.2 30,-0.2 28,-0.1 2,-0.1 0.056 76.9 111.0 -40.0 155.5 -5.7 -6.4 -14.7 16 16 A G E S-A 44 0A 40 28,-1.7 28,-1.4 -3,-0.1 29,-0.0 -0.265 74.3 -81.3 138.3 132.6 -2.7 -8.5 -15.9 17 17 A V E -A 43 0A 110 26,-0.2 2,-0.3 -2,-0.1 26,-0.3 -0.262 51.3-120.4 -56.7 142.5 0.3 -10.1 -14.2 18 18 A V - 0 0 29 24,-2.1 24,-0.3 1,-0.1 3,-0.2 -0.647 24.7-173.1 -88.4 144.1 3.1 -7.5 -13.6 19 19 A T S S+ 0 0 122 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.689 82.8 27.7-105.0 -26.7 6.5 -8.1 -15.2 20 20 A D > - 0 0 73 1,-0.1 3,-1.2 3,-0.1 -1,-0.3 -0.860 62.0-165.7-138.2 101.4 8.2 -5.2 -13.5 21 21 A L G > S+ 0 0 31 -2,-0.4 3,-1.5 1,-0.3 9,-0.7 0.875 91.6 62.9 -55.6 -34.9 6.9 -4.0 -10.1 22 22 A A G 3 S+ 0 0 51 1,-0.3 -1,-0.3 7,-0.2 9,-0.0 0.883 120.7 23.6 -59.7 -33.8 8.9 -0.8 -10.4 23 23 A E G < S+ 0 0 138 -3,-1.2 -1,-0.3 1,-0.0 -2,-0.2 -0.123 101.7 96.9-122.1 37.7 6.8 0.0 -13.5 24 24 A G S < S+ 0 0 25 -3,-1.5 2,-0.5 1,-0.3 5,-0.1 0.917 88.1 21.7 -89.2 -73.1 3.7 -2.1 -12.8 25 25 A V B > -F 28 0B 3 3,-1.3 3,-0.6 -4,-0.5 -1,-0.3 -0.837 67.7-144.8 -99.7 127.4 1.1 0.3 -11.2 26 26 A E T 3 S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 -20,-0.1 0.881 107.5 33.1 -56.8 -35.7 1.6 4.0 -11.8 27 27 A G T 3 S+ 0 0 0 -20,-0.3 49,-1.4 1,-0.2 2,-0.4 0.478 124.0 50.7 -99.1 -2.4 0.3 4.7 -8.3 28 28 A W E < +FG 25 75B 0 -3,-0.6 -3,-1.3 47,-0.3 2,-0.4 -0.960 61.0 176.2-138.8 123.2 1.8 1.5 -6.8 29 29 A D E - G 0 74B 25 45,-2.2 45,-2.1 -2,-0.4 2,-0.2 -0.947 13.4-153.3-123.5 144.2 5.4 0.3 -7.2 30 30 A L E - G 0 73B 3 -9,-0.7 2,-0.3 -2,-0.4 43,-0.2 -0.726 7.1-168.9-113.5 167.0 6.9 -2.8 -5.5 31 31 A N E - G 0 72B 92 41,-1.7 41,-1.0 -2,-0.2 2,-0.4 -0.901 5.9-159.6-157.0 124.7 10.5 -3.6 -4.5 32 32 A V E - G 0 71B 66 -2,-0.3 39,-0.2 39,-0.2 38,-0.1 -0.878 11.8-165.3-108.0 136.6 12.1 -6.9 -3.3 33 33 A G > - 0 0 40 37,-1.3 3,-1.3 -2,-0.4 34,-0.0 -0.363 47.7 -79.3-105.4-170.6 15.4 -6.9 -1.4 34 34 A S T 3 S+ 0 0 125 1,-0.3 36,-0.1 -2,-0.1 -1,-0.0 0.649 123.4 74.1 -66.7 -9.1 17.8 -9.8 -0.6 35 35 A S T 3 + 0 0 3 34,-0.3 2,-1.9 35,-0.1 -1,-0.3 0.852 69.5 92.0 -73.1 -31.4 15.3 -10.7 2.1 36 36 A V < + 0 0 26 -3,-1.3 -1,-0.1 34,-0.4 28,-0.1 -0.396 48.2 168.0 -64.6 87.9 12.9 -12.1 -0.5 37 37 A T + 0 0 111 -2,-1.9 -1,-0.2 26,-0.3 27,-0.1 0.835 67.6 47.4 -72.6 -29.0 14.2 -15.7 -0.4 38 38 A N S S- 0 0 65 25,-0.8 25,-0.1 -3,-0.2 24,-0.1 -0.893 95.6-110.4-114.6 145.0 11.1 -16.8 -2.3 39 39 A P - 0 0 95 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.634 35.2-152.5 -76.4 111.8 9.7 -15.1 -5.5 40 40 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 21,-0.2 -0.273 17.4-112.6 -77.6 166.1 6.4 -13.4 -4.6 41 41 A V E - B 0 60A 57 19,-0.8 19,-1.1 2,-0.0 2,-0.7 -0.892 26.6-171.1-108.2 121.6 3.7 -12.9 -7.2 42 42 A F E + B 0 59A 27 -2,-0.6 -24,-2.1 -24,-0.3 2,-0.3 -0.907 28.4 136.2-110.1 112.5 2.9 -9.3 -8.2 43 43 A E E -AB 17 58A 39 15,-1.3 15,-1.7 -2,-0.7 2,-0.3 -0.998 45.7-125.2-153.6 151.3 -0.2 -9.1 -10.4 44 44 A V E -AB 16 57A 1 -28,-1.4 -28,-1.7 -2,-0.3 2,-0.4 -0.731 23.4-164.0 -98.8 148.6 -3.4 -7.0 -10.8 45 45 A L E - B 0 56A 52 11,-2.1 11,-1.8 -2,-0.3 2,-0.6 -0.972 11.2-145.2-131.9 147.0 -6.9 -8.5 -10.7 46 46 A E E + B 0 55A 101 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.921 35.9 144.6-115.1 113.7 -10.2 -7.0 -11.8 47 47 A T > - 0 0 55 7,-0.6 3,-0.7 -2,-0.6 -2,-0.0 -0.938 57.8-116.7-141.5 164.7 -13.3 -8.0 -9.7 48 48 A S T 3 S+ 0 0 107 -2,-0.3 5,-0.1 1,-0.2 7,-0.1 0.267 107.0 71.1 -86.9 15.6 -16.5 -6.4 -8.5 49 49 A D T 3 + 0 0 103 5,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.641 68.2 111.9-102.9 -18.5 -15.4 -6.9 -4.9 50 50 A A < - 0 0 10 -3,-0.7 3,-0.2 1,-0.1 6,-0.1 -0.244 63.1-142.8 -55.5 144.7 -12.6 -4.2 -5.0 51 51 A P S S+ 0 0 39 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.875 91.9 50.2 -78.3 -42.1 -13.4 -1.2 -2.8 52 52 A E S > S- 0 0 65 3,-0.2 3,-0.9 -43,-0.1 2,-0.7 -0.757 133.4 -56.7-101.4 92.8 -11.9 1.4 -5.1 53 53 A G T 3 S- 0 0 51 -2,-1.0 -42,-0.1 1,-0.2 -43,-0.1 -0.634 92.6 -61.1 77.9-116.0 -13.4 0.7 -8.6 54 54 A N T 3 S+ 0 0 61 -2,-0.7 -7,-0.6 -44,-0.2 2,-0.4 0.016 102.1 94.3-160.0 37.8 -12.6 -2.9 -9.5 55 55 A K E < +B 46 0A 44 -3,-0.9 2,-0.3 -46,-0.3 -9,-0.2 -0.994 38.1 155.1-138.5 134.2 -8.8 -3.2 -9.6 56 56 A V E -B 45 0A 1 -11,-1.8 -11,-2.1 -2,-0.4 2,-0.8 -0.906 44.7-102.1-146.5 174.6 -6.4 -4.4 -6.9 57 57 A L E -BC 44 159A 0 102,-2.3 102,-1.6 -2,-0.3 2,-0.6 -0.838 30.4-159.4-107.5 103.1 -2.9 -6.0 -6.6 58 58 A A E -BC 43 158A 5 -15,-1.7 -15,-1.3 -2,-0.8 2,-0.4 -0.674 15.0-171.2 -81.2 120.7 -3.2 -9.7 -5.8 59 59 A V E -BC 42 157A 2 98,-1.6 98,-1.3 -2,-0.6 2,-0.8 -0.897 20.0-146.1-115.8 144.9 0.1 -10.8 -4.2 60 60 A T E -BC 41 156A 41 -19,-1.1 -19,-0.8 -2,-0.4 2,-0.7 -0.809 18.9-174.2-109.0 92.7 1.2 -14.3 -3.5 61 61 A V E + C 0 155A 1 94,-1.3 94,-1.7 -2,-0.8 93,-0.3 -0.767 25.0 141.2 -90.5 115.7 3.3 -14.2 -0.3 62 62 A N + 0 0 62 -2,-0.7 91,-0.1 91,-0.3 -1,-0.1 -0.261 59.1 40.8-149.5 56.4 4.8 -17.7 0.4 63 63 A G - 0 0 19 86,-0.2 -25,-0.8 -25,-0.1 -26,-0.3 -0.072 60.6-168.8 160.9 90.1 8.4 -17.3 1.7 64 64 A V - 0 0 48 -27,-0.1 -27,-0.3 -28,-0.1 2,-0.2 -0.072 13.9-143.7 -80.1-171.3 9.6 -14.6 4.2 65 65 A G - 0 0 28 83,-0.5 -30,-0.1 2,-0.4 -29,-0.1 -0.718 33.6 -86.4-140.0-168.4 13.3 -13.9 5.0 66 66 A N S S+ 0 0 162 -2,-0.2 -31,-0.1 -31,-0.1 -30,-0.1 0.465 105.9 75.4 -86.2 1.4 15.5 -12.9 7.9 67 67 A N S S- 0 0 56 -32,-0.1 2,-0.9 81,-0.1 3,-0.5 -0.904 82.8-128.9-116.3 145.0 14.7 -9.2 7.2 68 68 A P S S+ 0 0 69 0, 0.0 81,-0.1 0, 0.0 79,-0.1 -0.114 100.6 56.9 -79.5 38.9 11.5 -7.3 8.0 69 69 A W + 0 0 137 -2,-0.9 -36,-0.4 79,-0.1 -34,-0.3 -0.074 55.8 131.6-162.6 50.0 11.3 -6.0 4.4 70 70 A D S S+ 0 0 0 -3,-0.5 -37,-1.3 78,-0.4 2,-0.5 0.995 81.7 21.6 -70.9 -64.6 11.3 -8.9 1.9 71 71 A I E S+GH 32 147B 3 76,-1.4 76,-1.6 -39,-0.2 2,-0.4 -0.888 73.9 173.7-106.4 128.7 8.3 -7.7 -0.2 72 72 A E E -GH 31 146B 48 -41,-1.0 -41,-1.7 -2,-0.5 2,-0.7 -0.957 14.0-170.8-138.3 122.7 7.3 -4.0 -0.1 73 73 A A E -GH 30 145B 2 72,-1.8 72,-1.5 -2,-0.4 -43,-0.3 -0.901 14.7-173.7-113.8 107.4 4.7 -2.3 -2.2 74 74 A T E -GH 29 144B 17 -45,-2.1 -45,-2.2 -2,-0.7 2,-0.4 -0.531 17.3-131.0 -94.4 165.4 4.8 1.5 -1.8 75 75 A A E -GH 28 143B 0 68,-1.5 68,-1.0 -47,-0.2 -47,-0.3 -0.944 34.8-141.7-119.1 137.8 2.3 4.0 -3.3 76 76 A F E + 0 0 56 -49,-1.4 2,-0.1 -2,-0.4 66,-0.1 -0.947 49.1 14.3-179.1 161.5 3.3 7.2 -5.2 77 77 A P E + 0 0 49 0, 0.0 -71,-1.0 0, 0.0 2,-0.3 0.577 65.3 178.6 -82.5 163.3 3.4 9.8 -6.2 78 78 A V E - 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