==== 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 1B3Y . 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) . 10746.0 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.5 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 0 1 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 82 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 138.1 63.3 62.4 22.7 2 2 A A - 0 0 13 34,-0.2 4,-0.0 1,-0.1 288,-0.0 -0.718 360.0-129.1 -89.6 141.8 61.3 61.9 25.9 3 3 A S S S+ 0 0 131 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.899 96.0 59.4 -55.4 -47.4 60.5 65.2 27.7 4 4 A V S S- 0 0 68 -3,-0.0 2,-0.7 4,-0.0 -2,-0.1 -0.791 82.0-142.7 -89.9 120.7 61.8 63.8 31.1 5 5 A S > - 0 0 23 -2,-0.6 4,-2.1 1,-0.2 3,-0.5 -0.730 5.8-160.7 -84.6 113.1 65.5 62.8 30.9 6 6 A I H > S+ 0 0 0 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.760 92.8 60.2 -65.3 -20.0 66.0 59.7 33.1 7 7 A D H > S+ 0 0 10 33,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.899 105.0 47.4 -71.6 -39.5 69.7 60.6 33.1 8 8 A A H > S+ 0 0 55 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.950 114.3 47.1 -64.7 -46.7 68.9 64.0 34.8 9 9 A K H < S+ 0 0 65 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.864 113.1 48.4 -63.5 -37.6 66.6 62.2 37.3 10 10 A F H ><>S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 5,-1.2 0.936 111.1 49.5 -69.0 -46.9 69.2 59.5 38.1 11 11 A K H ><5S+ 0 0 83 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.785 97.9 70.1 -61.7 -29.3 72.0 62.0 38.6 12 12 A A T 3<5S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.789 95.0 55.9 -58.9 -26.2 69.6 63.9 40.9 13 13 A H T < 5S- 0 0 86 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.084 131.8 -92.5 -92.7 20.0 70.1 61.0 43.3 14 14 A G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.508 83.0 137.6 84.0 2.7 73.9 61.4 43.3 15 15 A K < - 0 0 20 -5,-1.2 -1,-0.3 1,-0.1 249,-0.2 -0.511 55.8-131.7 -81.7 155.5 74.5 58.9 40.4 16 16 A K S S- 0 0 75 247,-2.4 2,-0.3 1,-0.2 248,-0.2 0.866 71.3 -32.3 -75.5 -36.2 77.1 59.7 37.7 17 17 A Y E -a 264 0A 0 246,-1.0 248,-1.5 -7,-0.1 2,-0.5 -0.974 31.5-142.8-175.7 161.1 75.0 58.9 34.6 18 18 A L E +a 265 0A 2 -2,-0.3 24,-2.1 246,-0.2 25,-0.3 -0.966 50.6 161.6-133.8 103.5 72.3 56.8 33.0 19 19 A G E -a 266 0A 0 246,-3.1 248,-2.6 -2,-0.5 2,-0.2 -0.485 28.6-151.4-116.1-165.1 73.6 56.3 29.5 20 20 A T E -g 44 0B 0 23,-2.4 25,-1.3 246,-0.3 2,-0.2 -0.780 25.9 -92.0-151.8-169.9 73.3 54.3 26.3 21 21 A I E +g 45 0B 4 246,-0.4 2,-0.3 23,-0.3 249,-0.0 -0.655 38.9 156.5-114.0 172.8 75.4 53.1 23.4 22 22 A G E +g 46 0B 0 23,-1.9 25,-2.3 -2,-0.2 26,-0.3 -0.988 16.1 178.9-175.8 178.0 76.1 54.4 19.9 23 23 A D > - 0 0 23 -2,-0.3 4,-2.2 23,-0.2 5,-0.3 -0.904 57.4 -66.5 179.7 173.0 78.3 54.7 16.8 24 24 A Q H > S+ 0 0 82 -2,-0.3 4,-1.1 42,-0.2 5,-0.2 0.859 124.0 49.6 -42.8 -59.6 78.1 56.4 13.4 25 25 A Y H >> S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 3,-1.2 0.928 116.4 38.3 -49.4 -61.3 75.2 54.5 11.9 26 26 A T H 34 S+ 0 0 14 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.799 113.4 56.9 -65.1 -29.3 72.7 54.8 14.8 27 27 A L H 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.661 123.6 25.3 -74.4 -16.1 73.8 58.4 15.5 28 28 A T H << S+ 0 0 76 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.427 91.2 96.8-126.9 0.0 72.9 59.2 11.9 29 29 A K S < S- 0 0 69 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.1 0.718 102.7 -17.7 -64.6 -23.3 70.2 56.7 10.8 30 30 A N S S- 0 0 50 -4,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.909 70.0 -98.2-162.8-174.4 67.4 59.1 11.6 31 31 A T S > S+ 0 0 121 -2,-0.3 4,-1.0 2,-0.1 5,-0.1 0.800 110.4 56.5 -88.3 -34.5 66.7 62.3 13.6 32 32 A K H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 97.5 59.4 -67.1 -44.0 65.1 60.7 16.7 33 33 A N H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 111.6 37.6 -55.9 -55.6 67.9 58.4 17.8 34 34 A P H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.820 117.1 54.6 -67.6 -24.7 70.6 61.1 18.2 35 35 A A H X S+ 0 0 30 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.854 108.4 48.1 -72.4 -38.0 67.9 63.4 19.6 36 36 A I H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.949 111.6 50.1 -65.6 -49.8 66.9 60.8 22.2 37 37 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.899 112.6 46.6 -55.8 -46.3 70.6 60.3 23.2 38 38 A K H < S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.848 120.7 37.3 -67.7 -34.5 71.2 64.0 23.6 39 39 A A H < S+ 0 0 46 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.856 127.3 25.7 -88.7 -36.7 68.1 64.6 25.6 40 40 A D H < S+ 0 0 0 -4,-3.2 -33,-1.1 -5,-0.2 2,-0.3 0.499 110.7 56.9-110.2 -6.4 67.6 61.6 27.9 41 41 A F < - 0 0 2 -4,-1.3 -22,-0.3 -5,-0.4 225,-0.1 -0.935 49.6-164.5-127.1 152.9 71.1 59.9 28.4 42 42 A G S S+ 0 0 2 -24,-2.1 38,-2.7 -2,-0.3 2,-0.3 0.374 70.3 45.4-118.3 6.4 74.3 61.3 29.9 43 43 A Q E - h 0 80B 0 -25,-0.3 -23,-2.4 36,-0.3 2,-0.4 -0.973 59.7-155.0-147.6 156.6 76.9 58.7 28.8 44 44 A L E -gh 20 81B 0 36,-2.8 38,-2.1 -2,-0.3 -23,-0.3 -0.999 5.4-167.8-139.6 138.4 77.9 56.7 25.7 45 45 A T E -g 21 0B 0 -25,-1.3 -23,-1.9 -2,-0.4 2,-0.3 -0.985 34.5-117.0-121.1 128.7 79.6 53.5 25.1 46 46 A P E -g 22 0B 0 0, 0.0 4,-0.2 0, 0.0 -23,-0.2 -0.566 19.7-146.2 -65.9 127.4 80.7 52.7 21.5 47 47 A E S S- 0 0 28 -25,-2.3 -24,-0.1 -2,-0.3 -26,-0.0 0.841 82.6 -20.2 -65.2 -30.6 78.8 49.6 20.4 48 48 A N S > S+ 0 0 62 -26,-0.3 3,-1.2 3,-0.1 6,-0.3 0.484 109.9 94.2-152.3 -17.6 81.6 48.3 18.2 49 49 A S T 3 S+ 0 0 9 1,-0.2 18,-0.6 17,-0.1 19,-0.1 0.609 89.2 46.3 -64.8 -17.6 84.2 51.0 17.2 50 50 A M T 3 S+ 0 0 0 34,-0.6 -1,-0.2 -4,-0.2 35,-0.2 0.473 85.5 111.6-104.6 -0.1 86.7 50.5 20.1 51 51 A K S <> S- 0 0 12 -3,-1.2 4,-1.1 33,-0.2 3,-0.4 -0.153 82.3-105.5 -68.0 164.0 86.9 46.7 19.9 52 52 A W H >> S+ 0 0 6 33,-0.4 4,-2.5 38,-0.3 3,-0.6 0.901 118.2 55.6 -59.7 -43.8 90.1 45.0 18.7 53 53 A D H 34 S+ 0 0 62 38,-1.9 -1,-0.2 1,-0.2 39,-0.1 0.823 114.4 41.3 -60.8 -28.5 88.7 44.0 15.3 54 54 A A H 34 S+ 0 0 36 -3,-0.4 -1,-0.2 -6,-0.3 12,-0.2 0.575 121.8 37.3 -97.1 -10.2 87.8 47.6 14.6 55 55 A T H << S+ 0 0 0 -4,-1.1 8,-1.9 -3,-0.6 -2,-0.2 0.735 129.1 20.7-110.8 -34.0 90.9 49.4 16.0 56 56 A E < + 0 0 1 -4,-2.5 6,-0.2 6,-0.2 -2,-0.1 -0.503 62.7 160.0-138.4 70.1 93.9 47.2 15.1 57 57 A P S S+ 0 0 42 0, 0.0 2,-0.4 0, 0.0 38,-0.2 0.761 76.3 32.3 -60.3 -27.5 92.8 44.9 12.2 58 58 A N B > S-I 61 0C 92 3,-1.1 3,-2.8 -3,-0.1 0, 0.0 -0.978 109.4 -80.8-134.0 144.4 96.4 44.3 11.4 59 59 A R T 3 S- 0 0 147 -2,-0.4 3,-0.1 1,-0.3 49,-0.0 -0.163 113.6 -5.3 -47.8 119.1 99.4 44.1 13.8 60 60 A G T 3 S+ 0 0 45 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.512 110.0 110.2 72.3 5.7 100.6 47.6 14.6 61 61 A Q B < -I 58 0C 123 -3,-2.8 -3,-1.1 -5,-0.0 2,-0.3 -0.950 51.6-162.9-120.3 113.8 98.1 49.2 12.2 62 62 A F - 0 0 49 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.709 15.9-163.3-101.9 148.1 95.2 51.1 13.6 63 63 A T + 0 0 71 -8,-1.9 4,-0.3 -2,-0.3 3,-0.2 -0.919 19.0 162.7-129.3 102.1 91.9 52.2 12.2 64 64 A F > + 0 0 18 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 0.255 40.5 105.1-108.8 15.1 90.2 54.9 14.3 65 65 A S H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.931 87.0 44.2 -60.8 -45.7 87.6 56.5 12.1 66 66 A G H > S+ 0 0 32 -12,-0.2 4,-1.8 2,-0.2 -42,-0.2 0.960 117.8 42.4 -63.3 -52.9 84.7 54.8 13.8 67 67 A S H > S+ 0 0 1 -18,-0.6 4,-2.6 -4,-0.3 5,-0.2 0.885 110.1 57.8 -62.9 -40.0 85.9 55.4 17.4 68 68 A D H X S+ 0 0 40 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.910 107.5 49.0 -56.1 -45.4 87.0 59.0 16.6 69 69 A Y H X S+ 0 0 75 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.0 47.0 -61.4 -49.0 83.4 59.8 15.5 70 70 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 116.1 45.9 -61.1 -45.5 81.7 58.3 18.6 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.962 112.6 49.7 -62.4 -51.5 84.1 60.1 20.9 72 72 A N H X S+ 0 0 77 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.866 110.8 50.8 -56.9 -38.9 83.8 63.4 19.1 73 73 A F H X S+ 0 0 31 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.947 113.8 43.6 -65.5 -47.5 80.0 63.1 19.2 74 74 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-1.0 0.950 115.6 47.0 -62.0 -50.5 79.9 62.5 23.0 75 75 A Q H ><5S+ 0 0 106 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.896 111.6 52.5 -59.3 -39.4 82.5 65.1 23.8 76 76 A S H 3<5S+ 0 0 79 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.664 116.6 40.2 -70.2 -17.9 80.6 67.6 21.5 77 77 A N T <<5S- 0 0 50 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.183 113.4-108.2-120.7 20.8 77.4 66.8 23.4 78 78 A G T < 5 + 0 0 64 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.820 67.1 146.7 59.1 36.4 78.6 66.6 27.0 79 79 A K < - 0 0 27 -5,-2.5 -36,-0.3 -6,-0.1 -1,-0.2 -0.885 48.5-124.8-106.0 132.5 78.2 62.8 27.3 80 80 A L E -h 43 0B 65 -38,-2.7 -36,-2.8 -2,-0.4 2,-0.4 -0.379 29.6-138.6 -66.8 156.0 80.6 60.8 29.5 81 81 A I E -h 44 0B 4 42,-0.3 44,-2.3 -38,-0.2 45,-1.5 -0.956 15.8-162.4-125.5 137.7 82.3 58.0 27.6 82 82 A R E -b 126 0A 1 -38,-2.1 2,-0.3 -2,-0.4 45,-0.2 -0.985 24.1-137.6-115.3 115.5 83.0 54.4 28.6 83 83 A G E -b 127 0A 0 43,-3.0 45,-2.2 -2,-0.6 2,-0.3 -0.570 22.5-138.6 -71.4 141.5 85.7 52.9 26.3 84 84 A H E -b 128 0A 3 -2,-0.3 -34,-0.6 1,-0.2 -33,-0.2 -0.916 52.7 -10.1-157.9 120.8 84.9 49.4 25.3 85 85 A T E + 0 0 2 43,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.486 39.8 162.5-147.2 136.9 86.8 47.2 25.1 86 86 A L E S+ 0 0 0 42,-1.7 2,-0.4 1,-0.2 44,-0.2 0.816 83.0 27.5 -66.0 -42.3 90.5 46.7 25.3 87 87 A V E S+b 130 0A 2 42,-1.1 44,-2.6 41,-0.5 2,-0.3 -0.939 73.6 139.5-131.9 113.9 91.0 43.0 25.9 88 88 A W - 0 0 29 -2,-0.4 44,-0.1 42,-0.2 45,-0.1 -0.983 48.7-139.5-151.5 151.2 88.5 40.4 24.8 89 89 A H S S+ 0 0 64 42,-0.4 3,-0.4 -2,-0.3 2,-0.3 0.616 89.1 68.9 -85.0 -18.6 88.5 36.9 23.3 90 90 A S S S+ 0 0 49 1,-0.2 -38,-0.3 41,-0.1 -37,-0.1 -0.704 101.1 20.4-100.6 155.9 85.5 37.8 21.0 91 91 A Q S S+ 0 0 63 -2,-0.3 -38,-1.9 1,-0.2 -37,-0.2 0.883 92.5 142.9 50.2 42.5 85.7 40.3 18.0 92 92 A L - 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