==== 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 24-JAN-11 2Y6L . 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) . 7724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 65.9 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 . 21 12.6 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 0 194 0, 0.0 2,-0.6 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 148.5 22.6 -5.3 5.9 2 2 A L + 0 0 152 164,-0.1 2,-0.4 161,-0.0 164,-0.3 -0.973 360.0 172.7-108.6 110.8 21.7 -1.7 5.9 3 3 A V - 0 0 70 -2,-0.6 162,-0.2 2,-0.1 76,-0.1 -0.938 33.5-144.8-124.0 149.7 19.0 -1.1 3.3 4 4 A A S S+ 0 0 10 160,-3.0 75,-2.5 -2,-0.4 2,-0.2 0.734 79.2 66.5 -80.2 -27.8 17.0 2.0 2.6 5 5 A N S S- 0 0 7 159,-0.3 2,-0.4 73,-0.2 3,-0.2 -0.472 76.9-122.6 -98.4 168.7 13.7 0.3 1.8 6 6 A I S S- 0 0 59 71,-0.4 70,-0.2 21,-0.4 4,-0.1 -0.918 82.6 -1.5-116.5 137.0 11.3 -1.8 3.8 7 7 A N S > S+ 0 0 22 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.902 71.1 169.0 54.6 44.2 10.1 -5.3 3.3 8 8 A G T 3 S+ 0 0 12 1,-0.3 154,-2.5 -3,-0.2 -1,-0.1 0.663 75.3 42.8 -63.2 -18.8 12.2 -5.6 0.1 9 9 A G T 3 S- 0 0 5 152,-0.3 46,-0.3 151,-0.2 -1,-0.3 0.227 107.6-120.0-112.5 10.0 11.6 -9.3 -0.1 10 10 A F S X S+ 0 0 0 -3,-1.6 3,-1.5 16,-0.2 46,-0.1 0.531 72.1 133.1 65.3 12.6 7.9 -9.4 0.8 11 11 A E T 3 + 0 0 53 1,-0.3 -1,-0.1 44,-0.1 -3,-0.0 0.709 64.1 60.2 -71.7 -17.5 8.6 -11.5 3.8 12 12 A S T 3 S+ 0 0 66 14,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.564 92.5 84.3 -75.3 -18.3 6.5 -9.3 6.1 13 13 A T S < S- 0 0 7 -3,-1.5 3,-0.1 13,-0.1 12,-0.1 -0.777 81.7-116.9-102.2 133.7 3.4 -9.9 4.0 14 14 A P - 0 0 102 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.341 41.7-100.1 -58.9 144.3 1.0 -12.8 4.3 15 15 A A S S+ 0 0 59 28,-0.1 2,-0.2 3,-0.0 30,-0.2 -0.363 78.1 77.0 -61.8 142.1 0.7 -15.0 1.2 16 16 A G E S-A 44 0A 27 28,-2.5 28,-2.4 -3,-0.1 2,-0.1 -0.678 85.3 -45.3 142.4 171.8 -2.2 -14.3 -1.0 17 17 A V E -A 43 0A 76 26,-0.2 2,-0.7 -2,-0.2 26,-0.3 -0.433 54.5-129.4 -66.5 137.5 -3.7 -11.9 -3.5 18 18 A V + 0 0 15 24,-2.9 24,-0.5 1,-0.2 3,-0.1 -0.816 38.4 160.2 -92.2 118.2 -3.2 -8.3 -2.6 19 19 A T + 0 0 128 -2,-0.7 2,-1.2 1,-0.1 -1,-0.2 0.666 64.6 70.7-107.9 -22.7 -6.4 -6.4 -2.9 20 20 A D > + 0 0 85 1,-0.2 4,-2.4 2,-0.1 5,-0.3 -0.754 66.0 179.4 -91.3 91.4 -5.5 -3.4 -0.7 21 21 A L T 4 S+ 0 0 49 -2,-1.2 9,-2.7 1,-0.2 4,-0.2 0.879 72.4 44.0 -66.4 -39.5 -3.0 -2.0 -3.2 22 22 A A T 4 S+ 0 0 50 7,-0.2 -1,-0.2 -3,-0.1 6,-0.1 0.850 134.8 10.0 -74.7 -36.1 -2.0 1.1 -1.1 23 23 A E T 4 S+ 0 0 152 6,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.405 98.5 94.2-128.9 1.9 -1.5 -0.5 2.2 24 24 A G S < S+ 0 0 33 -4,-2.4 2,-0.5 1,-0.2 -3,-0.1 0.726 87.7 50.0 -73.2 -20.9 -1.7 -4.4 1.8 25 25 A V S > S- 0 0 3 3,-0.4 3,-2.0 -5,-0.3 -1,-0.2 -0.954 89.0-127.1-122.3 110.7 2.1 -4.7 1.5 26 26 A E T 3 S+ 0 0 117 -2,-0.5 -16,-0.2 1,-0.3 -14,-0.1 -0.274 95.3 15.3 -53.1 136.3 4.3 -3.1 4.1 27 27 A G T 3 S+ 0 0 11 1,-0.2 49,-2.1 49,-0.1 -21,-0.4 0.466 116.1 82.8 77.1 5.8 6.9 -0.9 2.5 28 28 A W E < -F 75 0B 5 -3,-2.0 2,-0.4 47,-0.3 -3,-0.4 -0.968 56.3-156.8-139.9 152.5 5.2 -0.8 -0.9 29 29 A D E -F 74 0B 56 45,-2.7 45,-2.9 -2,-0.3 2,-0.3 -0.994 17.3-160.7-124.0 120.9 2.4 1.0 -2.8 30 30 A L E -F 73 0B 7 -9,-2.7 2,-0.4 -2,-0.4 43,-0.2 -0.741 9.5-168.4-103.2 151.1 0.9 -0.8 -5.7 31 31 A N E -F 72 0B 80 41,-2.6 41,-2.6 -2,-0.3 2,-0.4 -0.996 16.8-176.7-146.6 136.0 -1.1 1.0 -8.3 32 32 A V E -F 71 0B 37 -2,-0.4 39,-0.2 39,-0.2 38,-0.1 -0.989 24.0-138.1-131.0 118.2 -3.4 0.2 -11.2 33 33 A G > - 0 0 19 37,-2.6 3,-1.7 -2,-0.4 37,-0.0 -0.378 22.2-115.4 -72.9 153.9 -4.7 2.9 -13.5 34 34 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 36,-0.0 0.665 109.4 72.3 -67.7 -14.6 -8.3 3.0 -14.6 35 35 A S T 3 S+ 0 0 45 1,-0.1 2,-1.1 2,-0.0 -1,-0.3 0.662 78.9 85.7 -72.3 -13.8 -7.3 2.5 -18.3 36 36 A V < + 0 0 10 -3,-1.7 29,-0.2 1,-0.2 -1,-0.1 -0.757 58.8 178.9 -88.9 99.6 -6.4 -1.1 -17.4 37 37 A T S S+ 0 0 133 -2,-1.1 -1,-0.2 27,-0.5 28,-0.1 0.678 75.4 47.4 -80.6 -20.0 -9.8 -2.7 -17.8 38 38 A N S S- 0 0 83 26,-0.2 24,-0.4 -3,-0.1 -1,-0.2 -0.890 96.1-143.0-118.0 90.6 -8.6 -6.2 -16.9 39 39 A P - 0 0 72 0, 0.0 25,-0.1 0, 0.0 -2,-0.1 -0.164 13.9-110.7 -63.5 149.5 -6.7 -5.5 -13.7 40 40 A P - 0 0 13 0, 0.0 2,-0.6 0, 0.0 21,-0.2 -0.160 25.2-118.7 -67.7 166.4 -3.5 -7.3 -13.0 41 41 A V E - B 0 60A 53 19,-2.0 19,-2.9 2,-0.0 2,-0.5 -0.966 23.8-166.0-110.7 116.2 -3.3 -9.8 -10.2 42 42 A F E + B 0 59A 3 -2,-0.6 -24,-2.9 -24,-0.5 2,-0.4 -0.904 18.6 170.7 -96.6 126.7 -0.7 -8.9 -7.5 43 43 A E E -AB 17 58A 66 15,-2.5 15,-3.1 -2,-0.5 2,-0.6 -0.999 34.9-139.0-142.1 135.8 0.0 -11.9 -5.2 44 44 A V E -AB 16 57A 1 -28,-2.4 -28,-2.5 -2,-0.4 2,-0.4 -0.861 33.5-162.8 -89.9 121.5 2.6 -12.6 -2.5 45 45 A L E - B 0 56A 54 11,-2.6 11,-2.2 -2,-0.6 2,-0.6 -0.931 19.4-143.3-113.0 130.0 3.5 -16.2 -3.2 46 46 A E E + B 0 55A 126 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.815 41.1 160.0 -88.1 124.4 5.3 -18.6 -0.8 47 47 A T > - 0 0 43 7,-2.5 3,-1.7 -2,-0.6 -2,-0.0 -0.997 53.1-132.5-152.0 143.2 7.6 -20.6 -3.1 48 48 A S T 3 S+ 0 0 137 -2,-0.3 7,-0.1 1,-0.3 -1,-0.1 0.654 107.5 65.2 -69.4 -16.0 10.7 -22.7 -2.7 49 49 A D T 3 + 0 0 70 5,-0.1 -1,-0.3 3,-0.0 6,-0.1 0.465 69.5 127.4 -84.4 -5.0 12.0 -20.8 -5.7 50 50 A A < - 0 0 15 -3,-1.7 6,-0.1 4,-0.2 3,-0.1 -0.323 53.8-148.5 -59.9 131.2 12.1 -17.4 -3.8 51 51 A P S S+ 0 0 44 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.777 88.0 32.3 -67.0 -24.1 15.6 -15.9 -4.1 52 52 A E S > S- 0 0 77 3,-0.3 3,-0.5 -43,-0.1 109,-0.1 -0.998 124.5 -35.5-135.9 126.9 15.2 -14.3 -0.7 53 53 A G T 3 S- 0 0 47 -2,-0.4 -3,-0.1 1,-0.2 -43,-0.1 -0.187 98.0 -54.1 60.0-142.9 13.2 -15.8 2.1 54 54 A N T 3 S+ 0 0 91 -45,-0.1 -7,-2.5 -5,-0.1 2,-0.3 0.476 110.0 62.7-112.4 -9.7 10.1 -17.7 1.4 55 55 A K E < -B 46 0A 28 -3,-0.5 -3,-0.3 -46,-0.3 2,-0.3 -0.880 46.5-177.6-131.1 155.5 8.1 -15.3 -0.7 56 56 A V E -B 45 0A 1 -11,-2.2 -11,-2.6 -2,-0.3 2,-0.5 -0.906 31.5-113.3-133.5 165.0 8.0 -13.3 -3.9 57 57 A L E -BC 44 159A 0 102,-2.3 102,-2.6 -2,-0.3 2,-0.4 -0.925 29.4-161.2-100.5 126.3 5.6 -10.8 -5.4 58 58 A A E -BC 43 158A 4 -15,-3.1 -15,-2.5 -2,-0.5 2,-0.5 -0.916 5.3-166.5-106.1 133.9 3.9 -12.0 -8.6 59 59 A V E -BC 42 157A 0 98,-2.8 98,-2.5 -2,-0.4 2,-0.6 -0.934 4.6-163.0-122.9 104.1 2.4 -9.6 -11.0 60 60 A T E -BC 41 156A 34 -19,-2.9 -19,-2.0 -2,-0.5 2,-0.7 -0.812 6.3-157.6 -91.3 119.0 0.1 -11.2 -13.5 61 61 A V E + C 0 155A 0 94,-2.4 93,-2.5 -2,-0.6 94,-0.7 -0.854 24.0 164.5 -99.6 109.3 -0.6 -8.9 -16.4 62 62 A N S S- 0 0 70 -2,-0.7 2,-0.3 -24,-0.4 -1,-0.1 0.306 71.7 -15.5-107.9 10.8 -3.8 -9.8 -18.2 63 63 A G - 0 0 12 86,-0.1 -1,-0.4 89,-0.1 2,-0.2 -0.893 65.4-128.9 160.9 169.7 -3.9 -6.5 -20.0 64 64 A V - 0 0 43 -2,-0.3 -27,-0.5 1,-0.2 -26,-0.2 -0.634 4.8-140.9-135.6 177.0 -2.6 -3.0 -20.1 65 65 A G - 0 0 24 83,-0.4 -1,-0.2 2,-0.3 -29,-0.0 0.204 53.0 -66.2-114.5-129.5 -3.5 0.7 -20.2 66 66 A N S S+ 0 0 125 1,-0.2 -2,-0.0 -2,-0.1 3,-0.0 0.567 110.8 28.4-111.2 -21.6 -2.0 3.6 -21.9 67 67 A N S > S- 0 0 75 1,-0.1 3,-2.1 82,-0.0 -2,-0.3 -0.975 78.9-115.0-142.8 150.8 1.4 4.0 -20.3 68 68 A P G > S+ 0 0 35 0, 0.0 80,-2.4 0, 0.0 3,-1.2 0.798 112.3 63.4 -63.0 -25.6 3.7 1.5 -18.6 69 69 A F G 3 S+ 0 0 94 1,-0.3 3,-0.1 77,-0.2 76,-0.1 0.509 76.2 89.7 -76.8 -0.4 3.3 3.2 -15.2 70 70 A N G < S+ 0 0 23 -3,-2.1 -37,-2.6 1,-0.2 2,-0.4 0.619 95.5 39.9 -71.5 -10.7 -0.5 2.3 -15.2 71 71 A I E < S+F 32 0B 0 -3,-1.2 76,-2.9 -39,-0.2 77,-0.8 -0.950 87.4 149.5-128.7 116.3 0.6 -1.0 -13.5 72 72 A Q E -FG 31 146B 25 -41,-2.6 -41,-2.6 -2,-0.4 2,-0.4 -0.997 39.5-155.4-149.1 152.5 3.3 -0.3 -10.9 73 73 A A E -FG 30 145B 0 72,-1.7 72,-2.5 -2,-0.3 2,-0.5 -0.998 25.4-168.2-120.9 122.5 4.7 -1.6 -7.6 74 74 A T E -FG 29 144B 2 -45,-2.9 -45,-2.7 -2,-0.4 2,-0.4 -0.952 18.8-136.3-120.5 124.7 6.6 1.2 -5.7 75 75 A A E -FG 28 143B 0 68,-1.8 68,-2.2 -2,-0.5 -47,-0.3 -0.622 35.4-156.8 -76.1 129.0 8.8 0.8 -2.7 76 76 A L E + 0 0 37 -49,-2.1 2,-0.1 -2,-0.4 66,-0.1 -0.913 60.4 29.6-160.8 138.0 8.0 3.5 -0.2 77 77 A P E + 0 0 47 0, 0.0 2,-0.5 0, 0.0 -71,-0.4 0.597 65.4 178.6 -76.2 155.3 9.3 4.9 2.1 78 78 A V E - G 0 141B 0 63,-1.7 63,-2.9 -3,-0.2 2,-0.6 -0.986 21.1-145.5-120.8 111.4 12.9 4.7 1.0 79 79 A N E + G 0 140B 86 -75,-2.5 2,-0.2 -2,-0.5 61,-0.2 -0.736 34.0 150.9 -90.9 118.6 15.1 6.4 3.5 80 80 A V - 0 0 10 59,-2.5 -2,-0.0 -2,-0.6 6,-0.0 -0.749 39.5-117.8-136.2 178.1 18.1 8.2 2.1 81 81 A R > - 0 0 138 -2,-0.2 3,-1.8 3,-0.0 53,-0.3 -0.978 39.0 -99.3-125.6 138.6 20.4 11.1 2.6 82 82 A P T 3 S+ 0 0 45 0, 0.0 53,-0.1 0, 0.0 55,-0.1 -0.211 105.4 13.7 -55.5 138.1 20.9 14.1 0.2 83 83 A G T 3 S+ 0 0 55 51,-2.7 2,-0.2 53,-0.5 52,-0.1 0.374 94.6 128.3 84.2 -7.1 23.9 13.8 -2.0 84 84 A V < - 0 0 24 -3,-1.8 50,-2.3 50,-0.1 2,-0.4 -0.570 53.6-134.7 -86.9 145.4 24.5 10.1 -1.4 85 85 A T E -D 133 0A 45 -2,-0.2 82,-2.5 48,-0.2 2,-0.3 -0.846 25.2-167.1 -98.3 132.1 24.9 7.5 -4.1 86 86 A Y E -DE 132 166A 5 46,-3.0 46,-2.1 -2,-0.4 2,-0.5 -0.884 19.0-133.2-117.5 152.7 23.0 4.2 -3.7 87 87 A T E -DE 131 165A 27 78,-2.8 78,-2.7 -2,-0.3 2,-0.5 -0.920 19.4-157.9-100.9 131.5 23.1 0.9 -5.4 88 88 A Y E +DE 130 164A 0 42,-3.3 42,-1.9 -2,-0.5 2,-0.3 -0.948 16.4 172.4-104.2 131.9 19.7 -0.5 -6.3 89 89 A T E +DE 129 163A 41 74,-1.9 74,-2.7 -2,-0.5 2,-0.3 -0.999 3.4 161.4-137.3 140.3 19.5 -4.3 -6.8 90 90 A I E -D 128 0A 1 38,-1.9 38,-2.8 -2,-0.3 2,-0.4 -0.967 29.8-129.3-147.2 159.4 16.4 -6.5 -7.4 91 91 A R E +DE 127 160A 106 69,-2.8 69,-2.1 -2,-0.3 2,-0.3 -0.899 31.4 171.1-108.9 143.3 15.8 -10.0 -8.7 92 92 A A E +DE 126 159A 0 34,-2.1 34,-1.5 -2,-0.4 30,-0.3 -0.995 10.9 160.7-151.6 150.4 13.2 -10.7 -11.4 93 93 A R E - 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