==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-11 2Y64 . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR L.VON SCHANTZ,M.HAKANSSON,D.T.LOGAN,B.WALSE,J.OSTERLIN, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 65.3 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 . 64 38.3 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 . 0 0.0 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 . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 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+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 2 1 2 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 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 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 0 190 0, 0.0 2,-0.5 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 153.1 21.9 -6.1 6.1 2 2 A L + 0 0 152 164,-0.1 2,-0.3 161,-0.0 164,-0.2 -0.985 360.0 165.4-121.9 123.7 21.2 -2.4 5.7 3 3 A V - 0 0 63 -2,-0.5 162,-0.2 2,-0.2 76,-0.1 -0.955 38.6-137.4-134.5 155.4 18.7 -1.2 3.0 4 4 A A S S+ 0 0 12 160,-2.9 75,-2.4 -2,-0.3 161,-0.1 0.741 85.0 66.6 -76.2 -29.1 16.9 2.1 2.3 5 5 A N S S- 0 0 7 159,-0.3 2,-0.4 73,-0.2 3,-0.2 -0.331 78.1-120.8 -96.9 175.1 13.6 0.4 1.5 6 6 A I S S- 0 0 60 21,-0.4 70,-0.2 71,-0.4 4,-0.1 -0.953 83.0 -2.9-123.9 134.8 11.1 -1.6 3.5 7 7 A N S > S+ 0 0 20 -2,-0.4 3,-1.5 1,-0.1 -1,-0.2 0.893 71.7 169.4 52.9 46.8 9.9 -5.2 3.0 8 8 A G T 3 S+ 0 0 12 1,-0.3 154,-2.7 -3,-0.2 -1,-0.1 0.624 74.8 42.4 -64.5 -17.4 12.0 -5.4 -0.2 9 9 A G T 3 S- 0 0 5 152,-0.3 46,-0.3 151,-0.2 -1,-0.3 0.213 107.0-120.0-116.1 11.1 11.4 -9.2 -0.4 10 10 A F S X S+ 0 0 0 -3,-1.5 3,-1.6 16,-0.2 46,-0.1 0.533 72.0 133.8 65.1 10.1 7.7 -9.2 0.5 11 11 A E T 3 + 0 0 59 1,-0.3 -1,-0.1 44,-0.1 -3,-0.0 0.724 64.9 59.0 -64.9 -20.3 8.5 -11.4 3.5 12 12 A S T 3 S+ 0 0 69 14,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.635 91.3 86.5 -76.0 -21.7 6.2 -9.2 5.7 13 13 A T S < S- 0 0 7 -3,-1.6 3,-0.1 13,-0.1 12,-0.1 -0.728 80.7-116.6 -97.8 132.8 3.1 -9.8 3.7 14 14 A P - 0 0 102 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.333 42.9-100.4 -57.9 140.3 0.6 -12.6 4.0 15 15 A A S S+ 0 0 46 28,-0.1 2,-0.2 3,-0.0 30,-0.2 -0.349 77.1 73.4 -60.3 140.4 0.4 -14.8 0.9 16 16 A G E S-A 44 0A 28 28,-2.4 28,-2.6 -3,-0.1 2,-0.1 -0.691 85.9 -42.8 142.0 171.3 -2.5 -14.1 -1.4 17 17 A V E -A 43 0A 80 26,-0.3 2,-0.6 -2,-0.2 26,-0.3 -0.457 55.4-130.9 -62.3 136.2 -3.9 -11.8 -4.0 18 18 A V + 0 0 15 24,-3.0 24,-0.5 1,-0.2 3,-0.1 -0.831 36.8 161.6 -93.2 121.0 -3.6 -8.1 -3.1 19 19 A T + 0 0 128 -2,-0.6 2,-1.4 1,-0.2 3,-0.2 0.722 66.6 71.1-107.8 -31.1 -6.8 -6.1 -3.4 20 20 A D > + 0 0 78 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.693 65.5 176.2 -81.4 88.4 -5.7 -3.2 -1.2 21 21 A L T 4 S+ 0 0 47 -2,-1.4 9,-2.6 1,-0.2 4,-0.3 0.888 70.0 46.6 -68.8 -41.5 -3.1 -1.8 -3.6 22 22 A A T 4 S+ 0 0 53 7,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.866 134.7 7.6 -72.3 -33.8 -2.1 1.3 -1.7 23 23 A E T 4 S+ 0 0 160 6,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.419 98.6 94.7-133.8 2.6 -1.6 -0.3 1.7 24 24 A G S < S+ 0 0 31 -4,-2.4 2,-0.5 1,-0.2 -3,-0.1 0.667 87.3 52.1 -75.1 -17.1 -1.9 -4.0 1.4 25 25 A V S > S- 0 0 1 3,-0.4 3,-2.0 -4,-0.3 -1,-0.2 -0.938 89.4-130.1-123.0 107.5 1.9 -4.5 1.0 26 26 A E T 3 S+ 0 0 121 -2,-0.5 -16,-0.2 1,-0.3 -14,-0.1 -0.253 94.0 19.1 -52.8 132.8 4.0 -2.9 3.7 27 27 A G T 3 S+ 0 0 11 1,-0.2 49,-2.2 49,-0.1 -21,-0.4 0.427 116.2 81.5 92.0 -5.5 6.8 -0.8 2.1 28 28 A W E < -F 75 0B 6 -3,-2.0 2,-0.4 47,-0.3 -3,-0.4 -0.934 58.6-152.7-138.2 150.4 5.1 -0.6 -1.2 29 29 A D E -F 74 0B 40 45,-2.5 45,-2.8 -2,-0.3 2,-0.4 -0.993 18.0-162.2-120.6 117.2 2.4 1.3 -3.2 30 30 A L E -F 73 0B 3 -9,-2.6 2,-0.4 -2,-0.4 43,-0.2 -0.790 12.9-173.8 -97.0 144.5 0.8 -0.8 -6.0 31 31 A N E -F 72 0B 70 41,-2.5 41,-2.6 -2,-0.4 2,-0.4 -0.987 19.8-176.6-147.6 130.6 -1.1 1.2 -8.6 32 32 A V E -F 71 0B 37 -2,-0.4 39,-0.2 39,-0.2 38,-0.1 -0.996 26.5-136.3-122.2 118.8 -3.3 0.5 -11.6 33 33 A G > - 0 0 16 37,-2.6 3,-1.8 -2,-0.4 37,-0.0 -0.386 21.0-116.5 -71.0 154.0 -4.5 3.4 -13.6 34 34 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 36,-0.0 0.651 110.9 72.2 -66.3 -14.7 -8.1 3.6 -14.8 35 35 A S T 3 S+ 0 0 51 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 0.670 76.6 87.9 -73.6 -15.5 -6.9 3.4 -18.4 36 36 A V < + 0 0 9 -3,-1.8 29,-0.2 34,-0.2 -1,-0.1 -0.689 57.2 175.6 -82.0 92.4 -6.1 -0.2 -17.7 37 37 A T S S+ 0 0 117 -2,-1.3 -1,-0.2 27,-0.6 28,-0.1 0.724 73.8 49.6 -82.3 -20.7 -9.5 -1.7 -18.6 38 38 A N S S- 0 0 92 26,-0.2 24,-0.5 -3,-0.1 -1,-0.2 -0.867 95.8-147.0-107.0 95.3 -8.4 -5.3 -18.1 39 39 A P - 0 0 80 0, 0.0 -2,-0.1 0, 0.0 25,-0.1 -0.172 6.5-120.8 -68.0 154.9 -6.8 -5.0 -14.7 40 40 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.240 19.8-117.0 -79.8 173.4 -3.8 -7.0 -13.6 41 41 A V E - B 0 60A 54 19,-2.0 19,-3.0 -2,-0.0 2,-0.5 -0.986 20.2-161.5-114.3 124.4 -3.5 -9.4 -10.7 42 42 A F E + B 0 59A 4 -2,-0.5 -24,-3.0 -24,-0.5 2,-0.4 -0.915 19.4 172.9-100.5 128.9 -1.0 -8.6 -7.9 43 43 A E E -AB 17 58A 66 15,-2.6 15,-3.1 -2,-0.5 2,-0.6 -0.995 32.1-143.1-140.3 133.2 -0.2 -11.6 -5.7 44 44 A V E -AB 16 57A 1 -28,-2.6 -28,-2.4 -2,-0.4 2,-0.4 -0.863 31.6-159.4 -89.9 122.0 2.2 -12.4 -2.9 45 45 A L E - B 0 56A 51 11,-2.8 11,-2.1 -2,-0.6 2,-0.6 -0.894 16.8-144.5-110.0 133.2 3.3 -16.0 -3.5 46 46 A E E + B 0 55A 132 -2,-0.4 2,-0.3 9,-0.2 9,-0.3 -0.850 42.8 155.1 -87.1 117.9 4.8 -18.4 -0.9 47 47 A T > - 0 0 52 7,-3.3 3,-1.4 -2,-0.6 -2,-0.0 -0.997 56.8-137.3-154.3 145.0 7.3 -20.5 -2.9 48 48 A S T 3 S+ 0 0 133 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.670 105.5 68.6 -70.4 -15.4 10.5 -22.5 -2.7 49 49 A D T 3 S+ 0 0 73 5,-0.1 -1,-0.3 -3,-0.0 6,-0.1 0.456 71.7 127.4 -80.9 -2.8 11.6 -20.8 -5.9 50 50 A A < - 0 0 15 -3,-1.4 3,-0.1 1,-0.2 6,-0.1 -0.363 54.6-151.4 -62.1 124.0 11.9 -17.5 -4.0 51 51 A P S S+ 0 0 42 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.833 87.9 28.7 -60.0 -32.4 15.4 -16.0 -4.4 52 52 A E S > S- 0 0 76 3,-0.3 3,-0.6 -43,-0.1 109,-0.1 -0.999 125.9 -31.7-133.3 130.5 15.0 -14.4 -1.0 53 53 A G T 3 S- 0 0 44 -2,-0.4 -3,-0.1 1,-0.2 -43,-0.1 -0.332 97.7 -60.5 63.5-144.1 13.0 -15.7 1.9 54 54 A N T 3 S+ 0 0 106 -45,-0.1 -7,-3.3 -5,-0.1 2,-0.3 0.310 108.9 70.0-119.2 -0.9 9.9 -17.7 1.1 55 55 A K E < +B 46 0A 32 -3,-0.6 -3,-0.3 -46,-0.3 2,-0.3 -0.917 46.3 178.1-131.2 150.0 7.9 -15.1 -0.8 56 56 A V E -B 45 0A 2 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.5 -0.908 30.8-114.7-132.7 165.1 7.8 -13.2 -4.1 57 57 A L E -BC 44 159A 0 102,-2.4 102,-2.4 -2,-0.3 2,-0.4 -0.912 28.0-161.3-100.8 132.8 5.5 -10.7 -5.7 58 58 A A E -BC 43 158A 2 -15,-3.1 -15,-2.6 -2,-0.5 2,-0.5 -0.935 6.1-166.9-113.8 135.5 3.7 -11.8 -8.9 59 59 A V E -BC 42 157A 0 98,-2.5 98,-2.6 -2,-0.4 2,-0.6 -0.951 5.1-163.2-124.7 106.8 2.1 -9.4 -11.4 60 60 A T E -BC 41 156A 37 -19,-3.0 -19,-2.0 -2,-0.5 2,-0.5 -0.854 9.9-154.0 -95.4 119.1 -0.2 -10.9 -14.0 61 61 A V E + C 0 155A 0 94,-2.6 93,-2.7 -2,-0.6 94,-0.6 -0.840 26.4 164.0-100.8 123.7 -0.8 -8.6 -16.9 62 62 A N S S- 0 0 69 -2,-0.5 2,-0.3 -24,-0.5 -1,-0.1 0.261 71.7 -18.5-118.8 6.9 -4.1 -9.0 -18.8 63 63 A G - 0 0 6 86,-0.1 -1,-0.4 89,-0.0 2,-0.2 -0.903 64.3-127.7 163.5 171.0 -4.0 -5.7 -20.6 64 64 A V - 0 0 41 -2,-0.3 -27,-0.6 1,-0.2 -26,-0.2 -0.732 6.9-141.4-136.9 179.0 -2.4 -2.2 -20.5 65 65 A G - 0 0 24 83,-0.3 -1,-0.2 2,-0.3 -29,-0.1 0.200 51.8 -64.8-114.5-125.0 -3.2 1.5 -20.4 66 66 A N S S+ 0 0 126 1,-0.2 3,-0.0 -2,-0.0 -2,-0.0 0.591 111.9 32.5-109.0 -23.6 -1.6 4.5 -22.0 67 67 A N S > S- 0 0 79 1,-0.1 3,-2.5 82,-0.0 -2,-0.3 -0.985 79.5-116.6-140.6 143.4 1.8 4.6 -20.2 68 68 A P G > S+ 0 0 41 0, 0.0 80,-2.2 0, 0.0 3,-1.2 0.810 113.0 60.6 -51.8 -31.1 4.0 1.9 -18.7 69 69 A F G 3 S+ 0 0 94 1,-0.3 3,-0.1 77,-0.2 76,-0.1 0.538 74.9 91.8 -79.9 -0.1 3.5 3.2 -15.2 70 70 A N G < S+ 0 0 21 -3,-2.5 -37,-2.6 1,-0.3 2,-0.4 0.640 96.0 41.1 -71.1 -9.8 -0.2 2.6 -15.4 71 71 A I E < S+F 32 0B 0 -3,-1.2 76,-3.0 -39,-0.2 77,-0.9 -0.912 91.5 146.0-126.0 111.3 0.7 -0.7 -13.9 72 72 A Q E -FG 31 146B 19 -41,-2.6 -41,-2.5 -2,-0.4 2,-0.4 -0.975 43.2-152.7-146.3 154.2 3.3 -0.2 -11.2 73 73 A A E -FG 30 145B 0 72,-1.9 72,-2.5 -2,-0.3 2,-0.5 -0.989 25.6-169.1-123.0 119.6 4.8 -1.4 -7.9 74 74 A T E -FG 29 144B 1 -45,-2.8 -45,-2.5 -2,-0.4 2,-0.4 -0.943 18.2-137.9-117.9 121.0 6.6 1.4 -6.1 75 75 A A E -FG 28 143B 0 68,-1.8 68,-2.1 -2,-0.5 -47,-0.3 -0.633 35.2-157.8 -74.2 129.2 8.8 0.9 -3.0 76 76 A L E + 0 0 56 -49,-2.2 2,-0.1 -2,-0.4 -49,-0.1 -0.918 60.2 31.0-163.6 139.1 8.0 3.8 -0.5 77 77 A P E + 0 0 50 0, 0.0 2,-0.5 0, 0.0 -71,-0.4 0.628 66.0 179.5 -75.9 157.2 9.2 5.1 1.7 78 78 A V E - G 0 141B 0 63,-1.6 63,-3.0 -3,-0.2 2,-0.6 -0.984 20.6-145.5-120.3 111.6 12.9 4.8 0.6 79 79 A N E + G 0 140B 88 -75,-2.4 2,-0.2 -2,-0.5 61,-0.2 -0.740 34.2 150.5 -92.0 116.3 15.0 6.5 3.2 80 80 A V - 0 0 10 59,-2.5 -2,-0.0 -2,-0.6 86,-0.0 -0.723 38.9-119.4-136.7 175.6 18.1 8.2 1.8 81 81 A R > - 0 0 142 -2,-0.2 3,-1.7 3,-0.0 53,-0.3 -0.975 37.8 -99.4-124.7 138.7 20.5 11.1 2.3 82 82 A P T 3 S+ 0 0 47 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.292 105.3 13.6 -55.5 135.3 21.2 14.0 -0.1 83 83 A G T 3 S+ 0 0 53 51,-3.0 2,-0.2 53,-0.4 52,-0.1 0.217 95.0 127.8 91.0 -13.4 24.3 13.5 -2.2 84 84 A V < - 0 0 20 -3,-1.7 50,-2.6 50,-0.1 2,-0.4 -0.496 53.6-133.9 -82.8 145.9 24.8 9.9 -1.4 85 85 A T E -D 133 0A 44 48,-0.2 82,-1.7 -2,-0.2 2,-0.3 -0.846 24.5-166.6 -99.5 135.1 25.2 7.2 -4.1 86 86 A Y E -DE 132 166A 9 46,-3.2 46,-2.1 -2,-0.4 2,-0.5 -0.862 18.6-134.2-121.8 149.7 23.2 4.0 -3.9 87 87 A T E -DE 131 165A 30 78,-3.0 78,-2.7 -2,-0.3 2,-0.5 -0.928 18.8-156.7 -99.8 131.7 23.2 0.6 -5.5 88 88 A Y E +DE 130 164A 0 42,-3.4 42,-1.9 -2,-0.5 2,-0.4 -0.937 17.1 172.5-101.7 129.3 19.9 -0.8 -6.6 89 89 A T E +DE 129 163A 41 74,-1.9 74,-2.7 -2,-0.5 2,-0.3 -0.999 3.7 158.6-136.5 138.4 19.5 -4.5 -6.9 90 90 A I E -D 128 0A 1 38,-1.9 38,-2.8 -2,-0.4 2,-0.4 -0.976 29.7-130.9-146.0 160.2 16.4 -6.6 -7.6 91 91 A R E +DE 127 160A 102 69,-2.6 69,-1.9 -2,-0.3 2,-0.3 -0.921 30.3 169.4-111.9 144.0 15.6 -10.1 -9.0 92 92 A A E +DE 126 159A 0 34,-2.2 34,-1.6 -2,-0.4 30,-0.3 -0.998 10.3 159.3-149.6 150.9 13.1 -10.7 -11.6 93 93 A R E - 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