==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FAMILY 10 XYLANASE 15-DEC-98 1B3X . COMPND 2 MOLECULE: PROTEIN (XYLANASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM SIMPLICISSIMUM; . AUTHOR A.SCHMIDT,C.KRATKY . 302 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 2 0 1 2 0 0 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 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 X 0 0 85 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 134.7 63.6 62.8 22.7 2 2 A A - 0 0 12 34,-0.2 4,-0.0 1,-0.1 288,-0.0 -0.703 360.0-132.2 -84.0 137.1 61.6 62.3 25.9 3 3 A S S S+ 0 0 132 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.855 94.5 59.2 -55.7 -40.9 60.7 65.5 27.7 4 4 A V S S- 0 0 72 -3,-0.0 2,-0.6 4,-0.0 -2,-0.1 -0.843 82.8-141.2 -95.2 126.3 62.0 64.2 31.1 5 5 A S > - 0 0 22 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.766 9.8-164.3 -90.1 117.0 65.6 63.1 31.2 6 6 A I H > S+ 0 0 0 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.798 93.3 58.0 -69.1 -24.7 66.3 59.9 33.2 7 7 A D H > S+ 0 0 11 33,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.940 106.7 47.2 -66.9 -46.6 70.0 60.9 33.2 8 8 A A H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.927 114.6 46.7 -60.1 -44.2 69.2 64.2 34.9 9 9 A K H < S+ 0 0 67 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.833 113.2 48.7 -68.0 -34.0 66.9 62.5 37.4 10 10 A F H ><>S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 5,-1.3 0.921 110.4 50.9 -72.0 -42.9 69.5 59.8 38.1 11 11 A K H ><5S+ 0 0 86 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.846 99.1 66.6 -62.3 -32.8 72.2 62.4 38.6 12 12 A A T 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 95.7 57.6 -60.4 -23.9 70.0 64.2 41.0 13 13 A H T < 5S- 0 0 87 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.229 130.5 -94.5 -90.4 12.9 70.4 61.2 43.3 14 14 A G T < 5S+ 0 0 70 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.584 82.6 136.5 87.4 8.0 74.1 61.6 43.3 15 15 A K < - 0 0 22 -5,-1.3 -1,-0.3 1,-0.1 249,-0.2 -0.554 56.9-131.0 -85.5 157.4 74.9 59.2 40.5 16 16 A K S S- 0 0 73 247,-2.5 2,-0.3 1,-0.3 248,-0.2 0.878 71.7 -30.9 -77.5 -36.9 77.4 60.0 37.8 17 17 A Y E -a 264 0A 0 246,-1.0 248,-1.4 -7,-0.1 2,-0.4 -0.986 30.9-142.1-172.9 163.8 75.3 59.1 34.8 18 18 A L E +a 265 0A 3 -2,-0.3 24,-2.1 246,-0.2 25,-0.3 -0.960 51.4 165.0-134.3 103.3 72.5 57.0 33.1 19 19 A G E -a 266 0A 0 246,-3.3 248,-2.8 -2,-0.4 2,-0.2 -0.555 27.3-157.1-117.4-170.7 73.9 56.5 29.6 20 20 A T E -g 44 0B 0 23,-2.4 25,-1.3 246,-0.3 2,-0.2 -0.720 25.3 -92.3-148.7-165.8 73.7 54.5 26.4 21 21 A I E +g 45 0B 4 246,-0.4 2,-0.3 23,-0.2 249,-0.1 -0.728 37.1 154.2-119.6 170.5 75.7 53.5 23.4 22 22 A G E -g 46 0B 0 23,-1.7 25,-1.8 -2,-0.2 26,-0.3 -0.985 15.2-178.3-176.8 175.0 76.4 54.7 19.9 23 23 A D > - 0 0 23 -2,-0.3 4,-2.0 23,-0.2 5,-0.2 -0.903 58.5 -66.6-173.0 175.7 78.7 54.9 16.8 24 24 A Q H > S+ 0 0 83 -2,-0.3 4,-0.8 1,-0.2 5,-0.1 0.852 125.3 50.4 -47.0 -49.3 78.5 56.7 13.4 25 25 A Y H >> S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.951 115.0 38.3 -58.1 -59.5 75.5 54.7 12.0 26 26 A T H 34 S+ 0 0 13 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.775 113.7 57.9 -65.7 -25.0 73.0 55.0 14.9 27 27 A L H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.631 122.2 24.8 -78.4 -13.5 74.1 58.6 15.5 28 28 A T H << S+ 0 0 78 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.426 90.5 97.0-129.1 -1.1 73.2 59.5 11.9 29 29 A K S < S- 0 0 71 -4,-1.8 2,-0.3 -5,-0.1 -3,-0.1 0.702 103.2 -16.8 -64.4 -21.0 70.6 57.0 10.7 30 30 A N S S- 0 0 50 -4,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.925 70.2 -99.5-165.2-177.5 67.7 59.4 11.6 31 31 A T S > S+ 0 0 122 -2,-0.3 4,-1.2 2,-0.1 5,-0.1 0.792 108.9 58.6 -88.2 -32.0 67.0 62.6 13.6 32 32 A K H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 97.3 59.0 -68.0 -39.6 65.4 61.1 16.7 33 33 A N H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.955 110.7 37.7 -59.5 -56.8 68.3 58.8 17.8 34 34 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.866 116.9 55.1 -64.1 -30.4 71.0 61.5 18.3 35 35 A A H X S+ 0 0 29 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.856 108.0 48.0 -67.7 -37.1 68.3 63.8 19.6 36 36 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.925 110.9 51.8 -68.2 -44.2 67.3 61.2 22.2 37 37 A I H X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.913 112.1 45.6 -58.8 -44.1 71.0 60.7 23.2 38 38 A K H < S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.855 120.6 38.1 -70.0 -34.6 71.6 64.4 23.7 39 39 A A H < S+ 0 0 47 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.884 127.0 24.2 -86.5 -38.9 68.4 65.0 25.7 40 40 A D H < S+ 0 0 1 -4,-2.9 -33,-1.3 -5,-0.2 2,-0.3 0.531 110.1 58.0-110.2 -7.0 68.0 61.9 27.9 41 41 A F < - 0 0 2 -4,-1.2 -22,-0.3 -5,-0.5 3,-0.1 -0.911 49.1-165.0-125.6 152.7 71.4 60.2 28.5 42 42 A G + 0 0 1 -24,-2.1 38,-2.3 -2,-0.3 2,-0.3 0.351 69.9 43.8-120.0 9.9 74.6 61.5 29.9 43 43 A Q E - h 0 80B 0 -25,-0.3 -23,-2.4 36,-0.3 2,-0.4 -0.981 59.8-155.3-152.0 153.2 77.3 59.0 28.9 44 44 A L E -gh 20 81B 0 36,-2.6 38,-1.9 -2,-0.3 -23,-0.2 -0.997 4.0-167.2-136.9 138.0 78.2 57.1 25.7 45 45 A T E -g 21 0B 0 -25,-1.3 -23,-1.7 -2,-0.4 2,-0.4 -0.982 34.3-115.5-120.0 131.7 80.0 53.8 25.2 46 46 A P E -g 22 0B 0 0, 0.0 -23,-0.2 0, 0.0 4,-0.2 -0.582 19.5-147.8 -69.3 126.3 81.1 53.0 21.6 47 47 A E S S- 0 0 28 -25,-1.8 -24,-0.1 -2,-0.4 -26,-0.0 0.852 81.7 -21.5 -63.1 -34.0 79.2 49.9 20.5 48 48 A N S > S+ 0 0 61 -26,-0.3 3,-1.6 3,-0.1 6,-0.3 0.530 110.5 92.4-149.2 -22.7 82.0 48.6 18.3 49 49 A S T 3 S+ 0 0 11 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.595 90.0 47.7 -61.0 -18.2 84.5 51.3 17.2 50 50 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 35,-0.1 0.426 85.5 112.1-104.3 3.2 87.0 50.8 20.1 51 51 A K S <> S- 0 0 13 -3,-1.6 4,-1.3 33,-0.1 3,-0.5 -0.244 82.3-105.4 -71.9 161.1 87.3 47.0 19.9 52 52 A W H > S+ 0 0 7 33,-0.4 4,-2.8 1,-0.2 3,-0.5 0.894 118.7 53.3 -55.8 -43.9 90.5 45.3 18.8 53 53 A D H 4 S+ 0 0 60 38,-1.8 -1,-0.2 1,-0.2 39,-0.1 0.847 114.9 42.1 -62.1 -31.9 89.2 44.3 15.4 54 54 A A H 4 S+ 0 0 36 -3,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 0.613 122.4 37.4 -91.1 -13.8 88.2 47.9 14.7 55 55 A T H < S+ 0 0 0 -4,-1.3 8,-1.9 -3,-0.5 -2,-0.2 0.728 128.8 21.4-109.1 -32.3 91.3 49.6 16.1 56 56 A E < + 0 0 2 -4,-2.8 6,-0.2 -5,-0.2 -2,-0.1 -0.477 62.3 161.1-138.6 69.1 94.2 47.4 15.2 57 57 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.744 75.8 30.2 -58.1 -29.2 93.2 45.2 12.2 58 58 A N B > S-I 61 0C 91 3,-1.0 3,-2.6 -3,-0.1 2,-0.1 -0.974 109.5 -77.7-133.3 148.5 96.8 44.5 11.4 59 59 A R T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.206 113.9 -7.7 -50.0 111.9 99.8 44.3 13.7 60 60 A G T 3 S+ 0 0 43 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.520 107.8 110.6 78.3 6.5 100.9 47.9 14.6 61 61 A Q B < -I 58 0C 123 -3,-2.6 -3,-1.0 2,-0.0 2,-0.3 -0.953 52.3-160.5-120.1 111.9 98.5 49.6 12.1 62 62 A F - 0 0 49 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.693 14.5-163.7 -98.0 145.5 95.7 51.4 13.7 63 63 A T + 0 0 70 -8,-1.9 4,-0.2 -2,-0.3 3,-0.1 -0.929 17.8 163.9-128.2 103.2 92.4 52.6 12.3 64 64 A F > + 0 0 20 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 0.140 38.1 109.8-110.2 22.7 90.7 55.2 14.5 65 65 A S H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.968 85.2 39.3 -62.4 -53.0 88.0 56.7 12.2 66 66 A G H > S+ 0 0 30 1,-0.2 4,-1.9 -12,-0.2 -42,-0.2 0.909 117.5 48.0 -63.9 -46.0 85.0 55.3 13.9 67 67 A S H > S+ 0 0 1 -18,-0.5 4,-2.6 -4,-0.2 5,-0.2 0.871 108.7 54.9 -64.4 -38.1 86.3 55.8 17.5 68 68 A D H X S+ 0 0 41 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.906 108.3 49.9 -60.2 -43.7 87.3 59.4 16.7 69 69 A Y H X S+ 0 0 75 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.916 111.8 46.5 -61.9 -46.4 83.8 60.1 15.6 70 70 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.949 115.4 45.7 -61.8 -50.6 82.1 58.6 18.7 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.924 113.7 50.0 -58.8 -45.5 84.6 60.4 21.1 72 72 A N H X S+ 0 0 77 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.876 110.8 49.0 -62.9 -39.2 84.1 63.7 19.2 73 73 A F H X S+ 0 0 32 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.942 115.1 44.1 -65.6 -47.5 80.3 63.5 19.3 74 74 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-1.0 0.936 115.6 46.7 -62.1 -48.7 80.3 62.7 23.0 75 75 A Q H ><5S+ 0 0 106 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.869 110.3 54.5 -63.2 -35.0 82.9 65.4 23.8 76 76 A S H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.611 115.5 39.4 -73.5 -14.6 81.0 67.9 21.6 77 77 A N T <<5S- 0 0 57 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.136 115.5-103.7-124.5 21.7 77.8 67.3 23.5 78 78 A G T < 5 + 0 0 66 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.827 68.4 148.1 62.3 36.7 78.9 67.0 27.1 79 79 A K < - 0 0 30 -5,-2.8 -36,-0.3 -6,-0.1 -1,-0.2 -0.862 46.1-126.7-106.5 135.5 78.7 63.2 27.4 80 80 A L E -h 43 0B 66 -38,-2.3 -36,-2.6 -2,-0.4 2,-0.4 -0.405 28.6-137.8 -70.2 157.5 81.0 61.1 29.5 81 81 A I E -h 44 0B 4 42,-0.3 44,-1.9 -38,-0.2 45,-1.5 -0.957 16.3-163.3-127.0 137.9 82.7 58.3 27.7 82 82 A R E -b 126 0A 1 -38,-1.9 2,-0.3 -2,-0.4 45,-0.2 -0.987 23.6-138.9-115.0 116.2 83.4 54.7 28.6 83 83 A G E -b 127 0A 0 43,-3.0 45,-2.6 -2,-0.5 2,-0.3 -0.610 22.3-138.7 -72.6 143.0 86.1 53.2 26.4 84 84 A H E -b 128 0A 2 -2,-0.3 -34,-0.5 1,-0.2 -33,-0.1 -0.907 52.3 -11.1-159.5 121.1 85.3 49.6 25.4 85 85 A T E + 0 0 2 43,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.601 39.3 164.8-143.8 143.8 87.2 47.4 25.2 86 86 A L E S+ 0 0 0 42,-2.0 2,-0.4 1,-0.2 44,-0.2 0.864 82.7 25.5 -71.6 -44.5 91.0 46.9 25.4 87 87 A V E S+b 130 0A 2 42,-1.2 44,-2.4 41,-0.4 2,-0.3 -0.958 73.8 140.5-129.4 117.1 91.5 43.2 26.0 88 88 A W - 0 0 30 -2,-0.4 44,-0.1 42,-0.2 45,-0.1 -0.993 48.6-138.0-155.3 147.9 88.9 40.6 24.9 89 89 A H S S+ 0 0 65 42,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.650 88.8 69.8 -80.6 -18.5 88.9 37.1 23.3 90 90 A S S S+ 0 0 53 1,-0.2 -38,-0.2 42,-0.0 -2,-0.1 -0.680 101.6 19.2 -99.3 155.9 86.0 38.0 21.0 91 91 A Q S S+ 0 0 66 -2,-0.2 -38,-1.8 1,-0.2 -1,-0.2 0.882 91.1 143.3 49.9 41.4 86.2 40.5 18.0 92 92 A L - 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