==== 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 2Y6J . 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) . 7852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 62.3 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 . 63 37.7 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 . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.8 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 1 1 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 0 187 0, 0.0 2,-0.7 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 153.7 -1.4 -5.2 5.8 2 2 A L + 0 0 153 164,-0.1 164,-0.4 161,-0.0 2,-0.3 -0.950 360.0 174.0-107.0 107.2 -2.3 -1.5 5.8 3 3 A V - 0 0 69 -2,-0.7 162,-0.2 2,-0.1 76,-0.1 -0.921 33.5-146.5-117.3 149.3 -5.1 -0.9 3.2 4 4 A A S S+ 0 0 11 160,-3.0 75,-2.6 -2,-0.3 2,-0.1 0.769 80.7 66.4 -80.6 -29.2 -7.1 2.2 2.5 5 5 A N S S- 0 0 8 159,-0.3 2,-0.4 73,-0.2 3,-0.2 -0.428 78.0-123.9 -93.8 170.4 -10.3 0.4 1.6 6 6 A I S S- 0 0 57 71,-0.4 70,-0.2 21,-0.4 4,-0.1 -0.923 80.7 -2.1-120.5 137.4 -12.6 -1.6 3.7 7 7 A N S > S+ 0 0 21 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.880 70.9 167.7 55.1 43.5 -13.8 -5.2 3.3 8 8 A G T 3 S+ 0 0 10 1,-0.3 154,-2.3 -3,-0.2 153,-0.1 0.641 75.8 41.3 -66.7 -18.1 -11.8 -5.5 0.0 9 9 A G T 3 S- 0 0 9 152,-0.2 46,-0.4 151,-0.2 -1,-0.3 0.208 108.3-119.7-112.6 12.9 -12.4 -9.3 0.0 10 10 A F X + 0 0 1 -3,-1.6 3,-1.5 16,-0.2 -2,-0.1 0.558 68.0 138.7 65.5 15.4 -16.0 -9.4 1.1 11 11 A E T 3 + 0 0 66 1,-0.3 -1,-0.1 44,-0.1 45,-0.0 0.767 67.3 52.6 -66.1 -25.3 -15.1 -11.4 4.2 12 12 A S T 3 S+ 0 0 76 14,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.565 94.0 90.5 -83.2 -10.7 -17.5 -9.4 6.5 13 13 A T S < S- 0 0 7 -3,-1.5 12,-0.1 13,-0.1 3,-0.1 -0.749 80.1-118.6 -98.6 130.0 -20.5 -9.9 4.2 14 14 A P - 0 0 104 0, 0.0 30,-0.2 0, 0.0 -2,-0.1 -0.320 37.9-104.2 -56.1 139.5 -22.9 -12.8 4.5 15 15 A A S S+ 0 0 50 28,-0.1 2,-0.2 3,-0.0 30,-0.2 -0.376 76.9 76.7 -62.5 145.0 -23.1 -15.1 1.4 16 16 A G E S-A 44 0A 33 28,-2.7 28,-2.5 -3,-0.1 2,-0.1 -0.666 86.6 -41.1 137.6 171.2 -26.2 -14.5 -0.7 17 17 A V E -A 43 0A 82 26,-0.2 2,-0.7 -2,-0.2 26,-0.3 -0.390 55.9-126.7 -66.7 136.1 -27.7 -12.2 -3.3 18 18 A V + 0 0 15 24,-2.8 24,-0.4 1,-0.2 3,-0.1 -0.835 39.9 160.4 -89.2 113.0 -27.2 -8.5 -2.5 19 19 A T + 0 0 125 -2,-0.7 2,-1.1 1,-0.2 -1,-0.2 0.666 65.2 66.7-102.3 -28.6 -30.5 -6.7 -2.4 20 20 A D > + 0 0 74 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.802 66.2 177.8 -94.4 94.2 -29.5 -3.6 -0.4 21 21 A L T 4 S+ 0 0 46 -2,-1.1 9,-2.7 1,-0.2 4,-0.2 0.883 72.4 43.8 -71.9 -38.5 -27.1 -2.2 -3.0 22 22 A A T 4 S+ 0 0 48 7,-0.2 -1,-0.2 -3,-0.2 6,-0.1 0.892 135.6 9.4 -73.0 -40.5 -26.1 1.0 -1.2 23 23 A E T 4 S+ 0 0 160 6,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.405 98.9 93.9-125.0 0.6 -25.6 -0.5 2.3 24 24 A G S < S+ 0 0 32 -4,-2.3 2,-0.5 1,-0.2 -3,-0.1 0.690 86.7 51.5 -72.4 -20.7 -25.7 -4.4 2.0 25 25 A V S > S- 0 0 3 3,-0.4 3,-1.8 -4,-0.2 -1,-0.2 -0.960 88.9-126.5-123.1 112.1 -21.9 -4.8 1.6 26 26 A E T 3 S+ 0 0 112 -2,-0.5 -16,-0.2 1,-0.2 -14,-0.1 -0.305 94.9 14.9 -51.8 133.0 -19.6 -3.1 4.2 27 27 A G T 3 S+ 0 0 9 1,-0.2 49,-1.8 49,-0.1 -21,-0.4 0.499 116.3 82.9 82.1 4.5 -17.0 -0.8 2.5 28 28 A W E < -F 75 0B 8 -3,-1.8 2,-0.4 47,-0.3 -3,-0.4 -0.977 57.0-156.2-142.0 150.6 -18.9 -0.8 -0.9 29 29 A D E -F 74 0B 51 45,-2.9 45,-2.8 -2,-0.3 2,-0.3 -0.990 17.2-162.0-126.8 117.7 -21.7 1.0 -2.7 30 30 A L E -F 73 0B 3 -9,-2.7 2,-0.4 -2,-0.4 43,-0.2 -0.776 11.1-173.4 -97.9 145.0 -23.4 -0.9 -5.6 31 31 A N E -F 72 0B 75 41,-2.6 41,-2.3 -2,-0.3 2,-0.4 -0.996 18.0-172.0-145.9 137.3 -25.5 0.9 -8.1 32 32 A V E -F 71 0B 37 -2,-0.4 39,-0.2 39,-0.2 38,-0.1 -0.979 24.6-134.5-124.2 122.9 -27.7 0.1 -11.1 33 33 A G > - 0 0 17 37,-2.6 3,-1.7 -2,-0.4 37,-0.0 -0.283 22.1-114.5 -71.1 156.0 -29.0 2.8 -13.3 34 34 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 3,-0.0 36,-0.0 0.693 110.9 69.3 -66.2 -17.3 -32.7 3.0 -14.4 35 35 A S T 3 S+ 0 0 51 1,-0.1 2,-1.1 2,-0.1 -1,-0.3 0.661 79.6 83.7 -76.2 -11.8 -31.7 2.4 -18.1 36 36 A V < + 0 0 9 -3,-1.7 29,-0.2 1,-0.2 -1,-0.1 -0.791 59.8 176.3 -87.5 97.8 -30.8 -1.2 -17.2 37 37 A T S S+ 0 0 131 -2,-1.1 -1,-0.2 27,-0.5 28,-0.1 0.661 72.6 50.1 -89.1 -13.4 -34.3 -2.6 -17.4 38 38 A N S S- 0 0 90 26,-0.1 25,-2.3 -3,-0.1 24,-0.4 -0.912 95.9-142.0-118.9 97.8 -33.2 -6.2 -16.7 39 39 A P - 0 0 73 0, 0.0 -2,-0.1 0, 0.0 24,-0.1 -0.132 9.5-114.3 -68.3 151.3 -31.1 -5.7 -13.6 40 40 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 21,-0.2 -0.261 24.4-119.6 -70.4 170.0 -27.9 -7.6 -12.8 41 41 A V E - B 0 60A 53 19,-2.1 19,-2.8 2,-0.0 2,-0.4 -0.962 23.2-166.3-114.5 115.5 -27.5 -10.1 -10.0 42 42 A F E + B 0 59A 4 -2,-0.6 -24,-2.8 -24,-0.4 2,-0.4 -0.858 17.8 171.7 -98.0 131.2 -24.9 -9.2 -7.4 43 43 A E E -AB 17 58A 63 15,-2.3 15,-3.1 -2,-0.4 2,-0.6 -0.999 34.3-138.7-145.9 134.1 -24.1 -12.1 -5.1 44 44 A V E -AB 16 57A 1 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.890 33.2-161.7 -91.6 121.0 -21.5 -12.8 -2.4 45 45 A L E - B 0 56A 50 11,-2.6 11,-2.1 -2,-0.6 2,-0.5 -0.919 18.8-141.7-113.3 129.3 -20.4 -16.4 -3.0 46 46 A E E + B 0 55A 128 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.775 41.5 159.5 -84.2 126.8 -18.7 -18.7 -0.7 47 47 A T > - 0 0 55 7,-2.8 3,-1.3 -2,-0.5 -2,-0.0 -0.989 51.4-136.2-157.8 137.5 -16.3 -20.6 -2.9 48 48 A S T 3 S+ 0 0 141 -2,-0.3 7,-0.1 1,-0.3 -1,-0.1 0.620 107.2 62.9 -72.5 -13.7 -13.0 -22.6 -2.4 49 49 A D T 3 S+ 0 0 87 5,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.285 71.7 127.3 -94.1 6.4 -11.7 -20.8 -5.5 50 50 A A < - 0 0 15 -3,-1.3 6,-0.1 4,-0.2 5,-0.1 -0.509 57.3-144.1 -64.0 126.8 -11.9 -17.3 -3.8 51 51 A P S S+ 0 0 57 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.808 88.6 31.9 -60.8 -29.9 -8.4 -15.6 -4.1 52 52 A E S S- 0 0 54 3,-0.3 3,-0.5 -43,-0.1 109,-0.1 -0.990 124.3 -35.3-133.8 134.8 -8.9 -14.1 -0.7 53 53 A G S S- 0 0 48 -2,-0.4 -3,-0.1 1,-0.2 -43,-0.1 -0.061 97.5 -55.4 45.6-144.5 -10.8 -15.6 2.2 54 54 A N S S+ 0 0 103 -5,-0.1 -7,-2.8 -45,-0.1 2,-0.3 0.568 110.0 68.0-104.2 -12.7 -13.8 -17.7 1.5 55 55 A K E -B 46 0A 29 -3,-0.5 2,-0.3 -46,-0.4 -3,-0.3 -0.847 47.1-177.5-125.9 148.9 -15.9 -15.2 -0.5 56 56 A V E -B 45 0A 2 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.6 -0.922 30.5-116.9-129.9 161.0 -16.1 -13.4 -3.8 57 57 A L E -BC 44 159A 0 102,-2.4 102,-2.6 -2,-0.3 2,-0.4 -0.894 30.5-164.3 -97.7 125.1 -18.4 -10.8 -5.3 58 58 A A E -BC 43 158A 4 -15,-3.1 -15,-2.3 -2,-0.6 2,-0.5 -0.912 6.0-167.1-109.1 134.3 -20.2 -12.1 -8.4 59 59 A V E -BC 42 157A 0 98,-2.6 98,-2.6 -2,-0.4 2,-0.6 -0.949 3.2-163.6-122.2 110.2 -21.9 -9.8 -10.9 60 60 A T E -BC 41 156A 41 -19,-2.8 -19,-2.1 -2,-0.5 2,-0.6 -0.859 12.7-150.0 -95.3 120.5 -24.2 -11.4 -13.5 61 61 A V + 0 0 0 94,-2.4 93,-2.7 -2,-0.6 94,-0.2 -0.809 31.0 155.2 -95.0 119.4 -25.0 -9.0 -16.3 62 62 A N + 0 0 56 -2,-0.6 -1,-0.2 1,-0.4 92,-0.1 0.696 66.6 15.0-103.5 -84.8 -28.3 -9.4 -17.9 63 63 A G - 0 0 18 -25,-2.3 -1,-0.4 90,-0.1 2,-0.3 -0.413 68.8-151.2 -82.6 163.9 -29.4 -6.1 -19.5 64 64 A V - 0 0 44 -29,-0.2 -27,-0.5 1,-0.1 -26,-0.1 -0.827 5.1-150.0-126.8 169.5 -27.2 -3.1 -20.0 65 65 A G - 0 0 25 83,-0.4 -1,-0.1 2,-0.3 -29,-0.0 0.227 44.8 -67.8-109.7-131.9 -28.0 0.6 -20.1 66 66 A N S S+ 0 0 126 1,-0.2 3,-0.0 -2,-0.0 -2,-0.0 0.599 112.4 28.7-105.1 -19.4 -26.5 3.7 -22.0 67 67 A N S > S- 0 0 75 1,-0.1 3,-2.2 82,-0.0 -2,-0.3 -0.988 78.7-118.3-143.8 146.1 -23.1 3.9 -20.3 68 68 A P G > S+ 0 0 38 0, 0.0 80,-2.4 0, 0.0 3,-1.2 0.783 111.1 65.3 -60.9 -23.6 -20.8 1.2 -18.7 69 69 A F G 3 S+ 0 0 101 1,-0.2 76,-0.1 77,-0.2 3,-0.1 0.508 74.4 88.9 -75.8 -3.4 -21.1 3.1 -15.3 70 70 A N G < S+ 0 0 22 -3,-2.2 -37,-2.6 1,-0.2 2,-0.4 0.558 93.9 44.6 -70.1 -9.0 -24.8 2.3 -15.2 71 71 A I E < S+F 32 0B 0 -3,-1.2 76,-2.7 -39,-0.2 77,-0.8 -0.943 86.3 149.1-130.0 113.7 -23.7 -1.0 -13.4 72 72 A Q E -FG 31 146B 24 -41,-2.3 -41,-2.6 -2,-0.4 2,-0.4 -0.982 41.2-156.2-148.1 156.2 -21.1 -0.4 -10.8 73 73 A A E -FG 30 145B 0 72,-1.8 72,-2.3 -2,-0.3 2,-0.5 -0.991 25.1-168.2-125.2 121.0 -19.5 -1.5 -7.5 74 74 A T E -FG 29 144B 0 -45,-2.8 -45,-2.9 -2,-0.4 2,-0.4 -0.961 17.1-138.3-118.1 122.2 -17.7 1.3 -5.8 75 75 A A E -FG 28 143B 0 68,-1.9 68,-2.3 -2,-0.5 -47,-0.3 -0.667 36.7-157.9 -73.3 127.7 -15.4 0.8 -2.8 76 76 A L E + 0 0 60 -49,-1.8 2,-0.1 -2,-0.4 -49,-0.1 -0.894 57.1 29.5-167.5 145.5 -16.0 3.6 -0.2 77 77 A P E + 0 0 46 0, 0.0 2,-0.5 0, 0.0 -71,-0.4 0.593 66.1 179.7 -75.5 154.5 -14.9 5.1 2.0 78 78 A V E - G 0 141B 0 63,-1.6 63,-2.8 -3,-0.2 2,-0.6 -0.989 20.2-144.6-119.2 115.7 -11.3 4.8 0.9 79 79 A N E + G 0 140B 87 -75,-2.6 2,-0.2 -2,-0.5 61,-0.2 -0.734 34.2 149.6 -94.5 118.9 -9.1 6.6 3.4 80 80 A V - 0 0 9 59,-2.6 -2,-0.0 -2,-0.6 6,-0.0 -0.752 39.0-118.3-135.0 177.5 -6.0 8.3 1.9 81 81 A R > - 0 0 145 -2,-0.2 3,-1.7 59,-0.0 53,-0.3 -0.977 39.3 -96.0-125.2 143.3 -3.7 11.3 2.5 82 82 A P T 3 S+ 0 0 47 0, 0.0 53,-0.2 0, 0.0 55,-0.1 -0.247 106.0 13.0 -56.0 134.3 -3.2 14.3 0.1 83 83 A G T 3 S+ 0 0 54 51,-2.8 2,-0.2 53,-0.5 52,-0.1 0.324 92.9 129.8 85.1 -7.3 -0.2 13.9 -2.2 84 84 A V < - 0 0 18 -3,-1.7 50,-2.5 50,-0.1 2,-0.4 -0.547 53.2-135.3 -84.1 142.9 0.5 10.2 -1.5 85 85 A T E -D 133 0A 43 48,-0.2 82,-2.5 -2,-0.2 2,-0.3 -0.859 25.9-167.0 -95.9 131.8 0.9 7.7 -4.3 86 86 A Y E -DE 132 166A 11 46,-3.1 46,-2.1 -2,-0.4 2,-0.5 -0.879 18.5-134.2-118.7 151.5 -1.0 4.4 -3.9 87 87 A T E -DE 131 165A 30 78,-2.8 78,-2.4 -2,-0.3 2,-0.5 -0.927 19.2-156.9-101.7 130.5 -1.0 1.0 -5.6 88 88 A Y E +DE 130 164A 0 42,-3.4 42,-1.9 -2,-0.5 2,-0.4 -0.941 16.5 173.6-104.7 129.3 -4.4 -0.5 -6.5 89 89 A T E +DE 129 163A 32 74,-1.8 74,-2.8 -2,-0.5 2,-0.3 -0.997 4.3 161.7-136.0 140.6 -4.6 -4.2 -6.9 90 90 A I E -D 128 0A 1 38,-1.7 38,-2.8 -2,-0.4 2,-0.4 -0.971 28.9-132.5-148.0 156.5 -7.7 -6.4 -7.5 91 91 A R E +DE 127 160A 99 69,-2.6 69,-2.0 -2,-0.3 2,-0.3 -0.912 30.7 172.2-112.6 141.6 -8.3 -9.9 -8.8 92 92 A A E +DE 126 159A 0 34,-2.1 34,-1.4 -2,-0.4 30,-0.3 -0.998 11.2 163.1-148.8 148.9 -10.9 -10.7 -11.4 93 93 A R E - 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