==== 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 1B31 . 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) . 10810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 71.9 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 . 96 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 1 0 0 3 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 84 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 138.0 63.0 62.5 22.6 2 2 A A - 0 0 12 34,-0.2 288,-0.0 1,-0.1 4,-0.0 -0.690 360.0-130.5 -86.9 142.9 61.0 62.1 25.9 3 3 A S S S+ 0 0 127 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.883 96.4 57.7 -58.0 -44.1 60.1 65.3 27.7 4 4 A V S S- 0 0 63 -3,-0.0 2,-0.7 4,-0.0 -2,-0.1 -0.825 81.7-142.9 -94.0 127.3 61.5 63.9 31.0 5 5 A S > - 0 0 21 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 -0.808 6.6-161.9 -91.5 116.4 65.1 62.8 31.0 6 6 A I H > S+ 0 0 0 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.806 93.6 59.1 -66.8 -25.3 65.7 59.6 33.1 7 7 A D H > S+ 0 0 10 33,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.931 105.7 47.2 -66.8 -45.5 69.4 60.6 33.1 8 8 A A H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.954 114.4 47.2 -60.4 -47.6 68.6 63.9 34.7 9 9 A K H < S+ 0 0 64 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.853 112.7 48.8 -63.3 -36.4 66.4 62.2 37.3 10 10 A F H ><>S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-1.4 0.918 109.4 51.7 -70.6 -42.6 69.0 59.5 38.0 11 11 A K H ><5S+ 0 0 88 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.824 98.6 66.9 -63.0 -28.6 71.8 62.0 38.5 12 12 A A T 3<5S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.678 96.5 56.5 -65.8 -17.5 69.5 63.9 40.9 13 13 A H T < 5S- 0 0 90 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.207 130.7 -94.2 -96.3 11.0 69.9 60.8 43.2 14 14 A G T < 5S+ 0 0 70 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.585 82.5 136.4 89.3 6.5 73.7 61.1 43.2 15 15 A K < - 0 0 22 -5,-1.4 -1,-0.3 1,-0.1 249,-0.2 -0.570 56.9-131.9 -84.5 154.7 74.3 58.7 40.3 16 16 A K S S- 0 0 71 247,-2.6 2,-0.3 1,-0.2 248,-0.2 0.848 72.0 -32.8 -76.5 -32.5 76.8 59.6 37.6 17 17 A Y E -a 264 0A 0 246,-1.1 248,-1.4 -7,-0.1 2,-0.4 -0.986 31.1-138.4-176.5 165.2 74.6 58.8 34.6 18 18 A L E +a 265 0A 2 -2,-0.3 24,-2.1 246,-0.2 25,-0.4 -0.955 51.9 164.0-135.5 103.3 71.9 56.7 32.9 19 19 A G E -a 266 0A 0 246,-3.2 248,-2.7 -2,-0.4 2,-0.2 -0.474 27.4-159.3-116.3-167.9 73.3 56.2 29.4 20 20 A T E -g 44 0B 0 23,-2.3 25,-1.3 246,-0.3 2,-0.2 -0.710 27.0 -88.4-151.5-161.6 73.0 54.2 26.2 21 21 A I E +g 45 0B 5 246,-0.3 2,-0.3 23,-0.2 249,-0.1 -0.758 36.3 160.7-123.2 170.0 75.1 53.2 23.2 22 22 A G E +g 46 0B 0 23,-1.7 25,-2.1 -2,-0.2 26,-0.3 -0.984 13.6 176.6-173.0 173.3 75.9 54.5 19.7 23 23 A D > - 0 0 23 -2,-0.3 4,-2.2 23,-0.2 5,-0.3 -0.893 58.5 -69.6-175.8 169.2 78.0 54.6 16.6 24 24 A Q H > S+ 0 0 86 -2,-0.3 4,-0.8 42,-0.2 5,-0.1 0.816 125.3 49.6 -42.7 -48.7 77.9 56.3 13.2 25 25 A Y H >> S+ 0 0 150 1,-0.2 4,-1.8 2,-0.2 3,-1.4 0.970 115.6 38.4 -60.1 -59.8 74.9 54.4 11.8 26 26 A T H 34 S+ 0 0 12 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.783 114.6 56.8 -64.6 -24.6 72.5 54.7 14.8 27 27 A L H 3< S+ 0 0 7 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.643 122.3 25.9 -79.3 -13.9 73.6 58.2 15.3 28 28 A T H << S+ 0 0 75 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.438 91.0 95.4-127.7 -1.8 72.7 59.1 11.8 29 29 A K S < S- 0 0 69 -4,-1.8 2,-0.3 -5,-0.1 -3,-0.1 0.697 102.8 -15.8 -65.2 -22.9 69.9 56.7 10.6 30 30 A N - 0 0 51 -4,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.937 68.5-100.9-163.9-179.4 67.2 59.1 11.6 31 31 A T S > S+ 0 0 123 -2,-0.3 4,-1.4 2,-0.1 5,-0.1 0.846 109.0 57.1 -83.1 -39.4 66.5 62.3 13.5 32 32 A K H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 97.8 59.7 -62.0 -43.0 64.9 60.9 16.6 33 33 A N H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 110.7 37.5 -56.8 -56.2 67.7 58.6 17.7 34 34 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 117.0 55.3 -66.0 -28.6 70.4 61.2 18.2 35 35 A A H X S+ 0 0 32 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.873 108.1 47.6 -67.6 -38.9 67.8 63.5 19.6 36 36 A I H X>S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.5 0.926 111.5 50.9 -66.4 -46.8 66.8 60.9 22.2 37 37 A I H X5S+ 0 0 1 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.938 113.4 45.0 -56.8 -47.8 70.4 60.3 23.1 38 38 A K H <5S+ 0 0 109 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.887 121.8 37.0 -65.6 -39.0 71.0 64.1 23.5 39 39 A A H <5S+ 0 0 47 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.901 128.4 24.4 -82.9 -41.0 67.8 64.7 25.5 40 40 A D H <5S+ 0 0 1 -4,-3.2 -33,-1.4 -5,-0.2 2,-0.3 0.556 109.9 59.1-107.4 -10.3 67.4 61.6 27.7 41 41 A F << - 0 0 3 -4,-1.5 -22,-0.2 -5,-0.5 3,-0.1 -0.910 47.9-166.0-123.3 151.3 70.8 60.0 28.3 42 42 A G S S+ 0 0 1 -24,-2.1 38,-2.5 -2,-0.3 2,-0.3 0.378 70.6 44.9-116.5 6.7 74.1 61.2 29.8 43 43 A Q E - h 0 80B 0 -25,-0.4 -23,-2.3 36,-0.3 2,-0.4 -0.986 59.5-156.5-149.2 151.7 76.6 58.6 28.8 44 44 A L E -gh 20 81B 0 36,-2.8 38,-2.0 -2,-0.3 -23,-0.2 -0.996 4.4-167.6-135.2 139.9 77.6 56.7 25.6 45 45 A T E -g 21 0B 0 -25,-1.3 -23,-1.7 -2,-0.4 2,-0.3 -0.983 34.6-115.0-121.1 131.1 79.4 53.4 25.0 46 46 A P E -g 22 0B 0 0, 0.0 -23,-0.2 0, 0.0 4,-0.2 -0.550 20.3-145.6 -67.3 127.2 80.5 52.6 21.4 47 47 A E S S- 0 0 34 -25,-2.1 -24,-0.1 -2,-0.3 -26,-0.0 0.849 81.0 -25.2 -62.4 -36.6 78.5 49.6 20.2 48 48 A N S > S+ 0 0 63 -26,-0.3 3,-1.6 3,-0.1 6,-0.3 0.466 112.1 93.4-149.8 -22.6 81.4 48.1 18.1 49 49 A S T 3 S+ 0 0 12 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.629 88.9 47.0 -58.4 -23.3 83.8 50.8 17.0 50 50 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 35,-0.1 0.452 85.5 112.1-100.1 -0.2 86.3 50.5 19.9 51 51 A K S <> S- 0 0 10 -3,-1.6 4,-1.2 33,-0.1 3,-0.5 -0.227 82.1-105.6 -69.4 161.1 86.6 46.7 19.9 52 52 A W H >> S+ 0 0 6 33,-0.4 4,-2.6 1,-0.2 3,-0.6 0.892 118.6 52.7 -56.7 -44.1 89.9 45.1 18.8 53 53 A D H 34 S+ 0 0 59 38,-2.0 -1,-0.2 1,-0.2 39,-0.1 0.836 114.5 43.5 -62.9 -30.2 88.7 43.9 15.4 54 54 A A H 34 S+ 0 0 36 -3,-0.5 -1,-0.2 -6,-0.3 12,-0.2 0.590 121.9 36.9 -90.8 -13.2 87.5 47.5 14.6 55 55 A T H << S+ 0 0 0 -4,-1.2 8,-2.1 -3,-0.6 -2,-0.2 0.720 128.8 21.6-110.1 -32.7 90.6 49.3 15.9 56 56 A E < + 0 0 1 -4,-2.6 6,-0.2 6,-0.2 -2,-0.1 -0.518 63.0 161.0-138.3 69.8 93.6 47.1 15.0 57 57 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.726 75.2 31.9 -61.5 -26.3 92.5 44.8 12.1 58 58 A N B > S-I 61 0C 98 3,-1.0 3,-2.7 -3,-0.1 2,-0.1 -0.979 109.4 -80.6-133.9 146.5 96.2 44.2 11.3 59 59 A R T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.3 49,-0.0 -0.219 114.8 -6.5 -50.5 113.8 99.2 44.1 13.6 60 60 A G T 3 S+ 0 0 40 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.495 107.3 112.6 77.1 4.7 100.2 47.7 14.3 61 61 A Q B < -I 58 0C 123 -3,-2.7 -3,-1.0 2,-0.0 2,-0.3 -0.922 51.5-162.8-114.0 107.0 97.8 49.2 11.8 62 62 A F - 0 0 53 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.697 14.5-165.8 -97.2 143.8 95.0 51.1 13.5 63 63 A T + 0 0 68 -8,-2.1 4,-0.3 -2,-0.3 3,-0.2 -0.888 18.0 162.2-127.8 97.2 91.7 52.2 12.1 64 64 A F > + 0 0 18 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.220 38.6 108.4-104.6 18.2 90.0 54.9 14.3 65 65 A S H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 85.9 39.5 -59.5 -53.2 87.4 56.4 12.0 66 66 A G H > S+ 0 0 30 -12,-0.2 4,-2.0 1,-0.2 -42,-0.2 0.921 118.0 46.7 -62.7 -47.2 84.4 54.9 13.8 67 67 A S H > S+ 0 0 1 -18,-0.5 4,-2.6 -4,-0.3 5,-0.2 0.886 109.2 55.8 -64.5 -37.4 85.6 55.3 17.3 68 68 A D H X S+ 0 0 41 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.932 107.4 50.4 -59.0 -46.7 86.7 58.9 16.6 69 69 A Y H X S+ 0 0 76 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.920 111.5 45.8 -58.1 -49.2 83.1 59.7 15.5 70 70 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.938 115.5 46.5 -61.5 -47.6 81.5 58.2 18.6 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.932 113.7 49.4 -60.8 -45.4 83.9 60.0 20.9 72 72 A N H X S+ 0 0 78 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.877 111.1 48.9 -63.3 -40.0 83.5 63.3 19.0 73 73 A F H X S+ 0 0 31 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.943 114.5 45.5 -65.0 -45.9 79.7 63.0 19.2 74 74 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-1.2 0.956 115.7 45.0 -61.2 -51.9 79.8 62.3 22.9 75 75 A Q H ><5S+ 0 0 106 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.869 110.9 55.0 -61.1 -36.5 82.3 65.0 23.7 76 76 A S H 3<5S+ 0 0 82 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.593 115.6 39.1 -73.0 -12.9 80.4 67.5 21.5 77 77 A N T <<5S- 0 0 50 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.090 115.0-104.2-127.8 25.4 77.2 66.9 23.4 78 78 A G T < 5 + 0 0 65 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.789 68.4 148.2 58.0 35.5 78.3 66.6 27.0 79 79 A K < - 0 0 30 -5,-2.7 -36,-0.3 -6,-0.2 -1,-0.2 -0.833 46.5-126.6-104.5 135.0 78.1 62.8 27.2 80 80 A L E -h 43 0B 64 -38,-2.5 -36,-2.8 -2,-0.4 2,-0.4 -0.423 28.5-138.4 -69.8 155.9 80.4 60.7 29.4 81 81 A I E -h 44 0B 4 42,-0.3 44,-1.9 -38,-0.2 45,-1.4 -0.963 15.4-161.6-125.7 135.6 82.1 57.9 27.6 82 82 A R E -b 126 0A 0 -38,-2.0 2,-0.3 -2,-0.4 45,-0.2 -0.974 24.9-137.8-112.1 111.6 82.8 54.3 28.5 83 83 A G E -b 127 0A 0 43,-2.7 45,-2.7 -2,-0.6 2,-0.3 -0.571 23.6-139.1 -68.2 136.3 85.5 52.9 26.3 84 84 A H E -b 128 0A 1 -2,-0.3 -34,-0.5 1,-0.2 -33,-0.1 -0.938 51.7 -11.4-152.9 118.2 84.6 49.4 25.2 85 85 A T E + 0 0 2 43,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.625 39.3 163.1-146.1 147.5 86.6 47.2 25.1 86 86 A L E S+ 0 0 1 42,-2.0 2,-0.5 1,-0.2 44,-0.2 0.900 82.2 27.6 -76.5 -48.4 90.4 46.6 25.2 87 87 A V E S+b 130 0A 1 42,-1.5 44,-2.1 41,-0.4 2,-0.3 -0.973 73.5 139.4-123.6 120.7 90.9 42.8 25.9 88 88 A W - 0 0 28 -2,-0.5 44,-0.1 42,-0.2 -36,-0.1 -0.986 49.4-138.7-159.8 143.2 88.3 40.3 24.8 89 89 A H S S+ 0 0 60 42,-0.5 3,-0.4 -2,-0.3 2,-0.3 0.665 89.6 69.3 -76.7 -21.7 88.2 36.8 23.2 90 90 A S S S+ 0 0 41 1,-0.2 -38,-0.2 41,-0.1 -37,-0.2 -0.702 101.8 18.8 -96.5 156.2 85.3 37.8 20.9 91 91 A Q S S+ 0 0 69 -2,-0.3 -38,-2.0 1,-0.2 -37,-0.2 0.886 91.7 143.4 50.6 42.3 85.6 40.2 18.0 92 92 A L - 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