==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FAMILY 10 XYLANASE 05-JUN-98 1BG4 . COMPND 2 MOLECULE: ENDO-1,4-BETA-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) . 10781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 70.9 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 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 . 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 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 0.000 360.0 360.0 360.0 131.4 62.1 61.8 22.6 2 2 A A - 0 0 12 34,-0.1 4,-0.0 1,-0.1 288,-0.0 -0.626 360.0-129.9 -79.0 139.6 60.1 61.2 25.7 3 3 A S S S+ 0 0 132 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.855 96.4 57.6 -57.3 -39.7 59.1 64.4 27.5 4 4 A V S S- 0 0 68 4,-0.0 2,-0.7 -3,-0.0 -2,-0.1 -0.856 82.8-141.9 -97.7 126.5 60.4 63.0 30.8 5 5 A S > - 0 0 20 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 -0.783 7.8-162.0 -91.5 118.5 64.1 62.0 30.9 6 6 A I H > S+ 0 0 0 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.801 94.0 56.8 -67.6 -25.9 64.8 58.9 32.9 7 7 A D H > S+ 0 0 8 33,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.919 106.9 48.5 -68.9 -42.8 68.5 59.8 33.0 8 8 A A H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.931 113.4 46.9 -63.2 -43.4 67.5 63.2 34.6 9 9 A K H < S+ 0 0 69 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.878 112.6 50.1 -67.1 -36.0 65.3 61.4 37.1 10 10 A F H ><>S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.2 3,-1.3 0.908 108.2 52.4 -68.1 -42.5 68.0 58.8 37.9 11 11 A K H ><5S+ 0 0 87 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.837 98.3 65.6 -62.1 -34.4 70.7 61.5 38.4 12 12 A A T 3<5S+ 0 0 87 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.716 96.5 57.6 -61.3 -21.7 68.4 63.3 40.9 13 13 A H T < 5S- 0 0 91 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.220 130.5 -93.7 -92.2 11.8 68.8 60.2 43.1 14 14 A G T < 5S+ 0 0 69 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.556 82.9 135.1 90.2 6.9 72.6 60.7 43.2 15 15 A K < - 0 0 24 -5,-1.4 -1,-0.3 1,-0.1 249,-0.2 -0.528 57.1-131.0 -86.6 158.6 73.4 58.3 40.3 16 16 A K S S- 0 0 78 247,-2.5 2,-0.3 1,-0.3 248,-0.2 0.848 71.7 -33.9 -78.3 -34.0 75.9 59.3 37.5 17 17 A Y E -a 264 0A 0 246,-1.0 248,-1.3 -7,-0.1 2,-0.4 -0.984 31.6-137.8-176.2 165.1 73.8 58.4 34.5 18 18 A L E +a 265 0A 2 -2,-0.3 24,-2.0 246,-0.2 25,-0.4 -0.954 51.5 166.2-134.9 104.4 71.2 56.2 32.8 19 19 A G E -a 266 0A 0 246,-3.2 248,-2.7 -2,-0.4 2,-0.2 -0.439 26.6-160.6-114.9-165.9 72.6 55.7 29.4 20 20 A T E -g 44 0B 0 23,-2.4 25,-1.3 246,-0.3 2,-0.3 -0.749 26.2 -88.6-155.3-162.9 72.5 53.7 26.2 21 21 A I E +g 45 0B 4 246,-0.3 2,-0.3 23,-0.2 249,-0.1 -0.790 36.3 156.7-124.5 167.2 74.5 52.8 23.1 22 22 A G E +g 46 0B 0 23,-1.7 25,-2.1 -2,-0.3 26,-0.3 -0.981 14.0 179.8-171.0 177.6 75.2 54.2 19.6 23 23 A D > - 0 0 23 -2,-0.3 4,-2.0 23,-0.2 5,-0.2 -0.896 58.3 -68.9-178.4 168.9 77.5 54.4 16.6 24 24 A Q H > S+ 0 0 86 -2,-0.3 4,-0.6 42,-0.2 5,-0.1 0.815 125.0 49.4 -43.4 -49.0 77.3 56.1 13.2 25 25 A Y H >> S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 3,-1.7 0.962 114.7 39.6 -59.4 -59.8 74.4 54.1 11.7 26 26 A T H 34 S+ 0 0 14 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.778 113.6 57.7 -63.8 -24.1 71.9 54.2 14.6 27 27 A L H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.577 120.9 26.5 -80.3 -9.8 72.8 57.8 15.2 28 28 A T H << S+ 0 0 78 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.444 90.8 95.3-129.8 -5.7 71.9 58.8 11.6 29 29 A K S < S- 0 0 68 -4,-1.9 2,-0.3 -5,-0.1 -3,-0.1 0.683 103.2 -15.1 -62.6 -23.3 69.3 56.2 10.5 30 30 A N - 0 0 50 -4,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.931 68.7-103.3-163.4-179.0 66.4 58.5 11.4 31 31 A T S > S+ 0 0 121 -2,-0.3 4,-1.3 2,-0.1 5,-0.1 0.794 108.1 59.6 -89.4 -30.5 65.7 61.7 13.4 32 32 A K H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 97.6 58.0 -67.5 -38.6 64.0 60.1 16.5 33 33 A N H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 111.0 38.4 -60.8 -55.3 66.9 57.9 17.6 34 34 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.871 116.5 54.9 -64.5 -31.2 69.6 60.6 18.0 35 35 A A H X S+ 0 0 20 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.888 107.8 48.4 -65.2 -41.8 66.9 62.9 19.5 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.904 110.7 52.1 -64.5 -43.5 65.9 60.3 22.1 37 37 A I H X S+ 0 0 1 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.931 112.9 43.6 -59.3 -47.5 69.6 59.8 23.0 38 38 A K H < S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 121.7 38.7 -68.6 -35.8 70.1 63.6 23.5 39 39 A A H < S+ 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.856 127.5 24.0 -85.4 -35.7 66.9 64.1 25.4 40 40 A D H < S+ 0 0 1 -4,-2.9 -33,-1.4 -5,-0.2 2,-0.3 0.528 110.3 58.9-112.9 -6.6 66.5 61.0 27.6 41 41 A F < - 0 0 2 -4,-1.3 -22,-0.2 -5,-0.4 3,-0.1 -0.924 49.2-164.5-125.7 150.9 70.0 59.4 28.2 42 42 A G S S+ 0 0 1 -24,-2.0 38,-2.4 -2,-0.3 2,-0.3 0.329 70.7 43.1-116.9 11.5 73.1 60.9 29.8 43 43 A Q E - h 0 80B 1 -25,-0.4 -23,-2.4 36,-0.3 2,-0.4 -0.992 58.6-155.9-155.1 153.1 75.8 58.4 28.6 44 44 A L E -gh 20 81B 0 36,-2.8 38,-2.1 -2,-0.3 -23,-0.2 -0.994 5.2-167.8-137.3 141.1 76.9 56.4 25.6 45 45 A T E -g 21 0B 0 -25,-1.3 -23,-1.7 -2,-0.4 2,-0.4 -0.980 36.1-115.2-120.7 132.0 78.8 53.2 25.0 46 46 A P E -g 22 0B 0 0, 0.0 4,-0.2 0, 0.0 -23,-0.2 -0.603 20.0-145.1 -70.3 127.4 80.0 52.5 21.4 47 47 A E S S- 0 0 31 -25,-2.1 -24,-0.1 -2,-0.4 -26,-0.0 0.867 80.9 -25.0 -61.0 -35.8 78.1 49.4 20.2 48 48 A N S > S+ 0 0 64 -26,-0.3 3,-1.9 3,-0.1 6,-0.3 0.527 110.2 94.1-149.5 -25.5 81.0 48.1 18.1 49 49 A S T 3 S+ 0 0 13 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.625 90.1 48.1 -56.1 -22.5 83.4 50.9 16.9 50 50 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 35,-0.1 0.439 84.8 111.6 -99.6 -0.3 85.9 50.5 19.8 51 51 A K S <> S- 0 0 11 -3,-1.9 4,-1.4 33,-0.1 3,-0.4 -0.237 82.4-105.0 -70.0 162.3 86.3 46.8 19.7 52 52 A W H > S+ 0 0 7 33,-0.4 4,-2.5 38,-0.2 3,-0.3 0.882 118.8 54.2 -57.4 -43.2 89.6 45.2 18.6 53 53 A D H 4 S+ 0 0 62 38,-2.0 -1,-0.2 1,-0.2 39,-0.1 0.870 115.0 41.7 -61.0 -32.4 88.4 44.1 15.2 54 54 A A H 4 S+ 0 0 36 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.645 121.9 37.8 -89.9 -17.0 87.2 47.6 14.5 55 55 A T H < S+ 0 0 0 -4,-1.4 8,-1.9 -3,-0.3 -2,-0.2 0.730 128.7 21.0-106.3 -31.4 90.2 49.5 15.9 56 56 A E < + 0 0 2 -4,-2.5 6,-0.2 6,-0.2 -1,-0.2 -0.546 63.3 162.6-139.6 72.2 93.3 47.4 15.0 57 57 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.755 73.7 30.3 -61.9 -27.7 92.3 45.2 12.1 58 58 A N B > S-I 61 0C 87 3,-1.1 3,-2.6 -3,-0.1 2,-0.0 -0.959 110.3 -73.9-132.0 152.8 96.0 44.5 11.3 59 59 A R T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 49,-0.0 -0.188 115.0 -10.4 -52.3 114.9 99.0 44.4 13.6 60 60 A G T 3 S+ 0 0 43 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.555 108.0 114.0 72.3 9.6 99.9 47.9 14.6 61 61 A Q B < -I 58 0C 118 -3,-2.6 -3,-1.1 2,-0.0 2,-0.3 -0.948 50.3-161.6-118.3 112.6 97.6 49.5 12.1 62 62 A F - 0 0 48 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.723 15.2-164.3-101.0 146.1 94.6 51.4 13.6 63 63 A T + 0 0 71 -8,-1.9 4,-0.3 -2,-0.3 3,-0.2 -0.914 17.6 163.4-128.5 102.6 91.3 52.5 12.2 64 64 A F > + 0 0 21 -2,-0.5 4,-2.7 1,-0.1 5,-0.3 0.327 39.4 107.1-107.9 14.1 89.5 55.1 14.3 65 65 A S H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.943 87.0 39.8 -57.7 -52.6 86.9 56.6 12.0 66 66 A G H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -42,-0.2 0.901 118.0 46.6 -65.3 -42.1 83.9 55.0 13.7 67 67 A S H > S+ 0 0 1 -18,-0.5 4,-2.7 -4,-0.3 5,-0.3 0.890 109.6 55.5 -68.9 -36.0 85.1 55.4 17.3 68 68 A D H X S+ 0 0 37 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.926 107.4 50.8 -59.5 -44.7 86.0 59.0 16.6 69 69 A Y H X S+ 0 0 71 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.919 111.7 45.2 -60.3 -48.0 82.5 59.7 15.4 70 70 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.952 116.0 46.3 -62.4 -49.2 80.8 58.1 18.5 71 71 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.920 113.7 49.1 -59.3 -45.9 83.2 59.9 20.9 72 72 A N H X S+ 0 0 73 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.862 111.8 48.8 -63.8 -37.1 82.8 63.2 19.1 73 73 A F H X S+ 0 0 31 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.946 114.4 44.8 -67.0 -49.3 79.0 62.9 19.2 74 74 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-1.5 0.972 117.0 44.9 -57.6 -54.8 78.9 62.0 22.9 75 75 A Q H ><5S+ 0 0 103 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.880 110.4 54.2 -58.3 -42.4 81.3 64.8 23.8 76 76 A S H 3<5S+ 0 0 80 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.570 114.7 42.6 -69.4 -11.0 79.6 67.4 21.6 77 77 A N T <<5S- 0 0 58 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.044 115.9-103.9-125.7 27.2 76.3 66.6 23.4 78 78 A G T < 5S+ 0 0 67 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.753 70.2 145.8 59.2 30.8 77.3 66.4 27.0 79 79 A K < - 0 0 30 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.837 48.0-126.7-103.4 134.0 77.1 62.6 27.2 80 80 A L E -h 43 0B 66 -38,-2.4 -36,-2.8 -2,-0.4 2,-0.4 -0.401 28.3-139.1 -68.6 155.7 79.5 60.5 29.4 81 81 A I E -h 44 0B 3 42,-0.3 44,-1.7 -38,-0.2 45,-1.3 -0.964 14.6-160.8-125.5 135.5 81.3 57.7 27.5 82 82 A R E -b 126 0A 1 -38,-2.1 2,-0.3 -2,-0.4 45,-0.2 -0.970 24.5-137.7-111.0 112.1 82.1 54.2 28.5 83 83 A G E -b 127 0A 0 43,-2.5 45,-2.7 -2,-0.6 2,-0.3 -0.557 24.8-137.6 -67.9 138.7 85.0 52.9 26.3 84 84 A H E -b 128 0A 2 -2,-0.3 -34,-0.5 1,-0.2 -33,-0.1 -0.911 50.7 -13.7-156.3 132.7 84.3 49.3 25.1 85 85 A T E + 0 0 2 43,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.590 40.7 164.9-131.6 154.9 86.1 47.1 25.0 86 86 A L E S+ 0 0 1 42,-2.2 2,-0.4 1,-0.2 44,-0.2 0.853 81.2 25.7 -77.8 -42.8 89.9 46.7 25.2 87 87 A V E S+b 130 0A 2 42,-1.3 44,-2.3 41,-0.4 2,-0.3 -0.974 73.9 140.7-129.3 119.7 90.6 43.0 25.8 88 88 A W - 0 0 30 -2,-0.4 44,-0.1 42,-0.2 -36,-0.1 -0.989 50.1-137.3-159.0 144.6 88.1 40.4 24.7 89 89 A H S S+ 0 0 64 42,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.691 89.5 70.7 -76.7 -20.8 88.2 36.9 23.1 90 90 A S S S+ 0 0 47 1,-0.2 -38,-0.2 41,-0.1 -37,-0.2 -0.641 99.8 18.8 -97.4 156.1 85.3 37.8 20.8 91 91 A Q S S+ 0 0 61 -2,-0.2 -38,-2.0 1,-0.2 -37,-0.2 0.877 91.2 143.8 51.5 41.9 85.5 40.2 17.8 92 92 A L - 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