==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-08 3EMQ . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. BP-23; . AUTHOR J.SANZ-APARICIO,P.ISORNA . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 1 0 0 0 0 3 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 4 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 0 0 0 0 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 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 2 A S 0 0 127 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.0 19.4 24.6 26.6 2 3 A T - 0 0 125 2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.101 360.0 -25.6 173.7 -32.4 17.6 26.6 29.3 3 4 A E S S+ 0 0 184 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.272 100.3 115.1 176.9 11.6 15.9 24.0 31.6 4 5 A I - 0 0 30 1,-0.1 -2,-0.2 316,-0.0 -1,-0.1 -0.794 56.7-123.9-105.5 144.7 15.4 20.9 29.5 5 6 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.189 32.0 -94.3 -75.2 168.2 17.0 17.4 30.0 6 7 A S > - 0 0 27 1,-0.1 4,-1.2 2,-0.0 30,-0.2 -0.713 25.0-150.5 -86.4 131.0 18.9 15.3 27.5 7 8 A L T 4 S+ 0 0 0 -2,-0.4 322,-0.4 1,-0.2 3,-0.4 0.946 98.3 42.1 -67.9 -47.7 16.8 12.8 25.5 8 9 A S T >4 S+ 0 0 8 28,-0.9 3,-1.0 1,-0.2 4,-0.3 0.753 108.5 61.6 -70.3 -24.5 19.6 10.3 25.0 9 10 A A G >4 S+ 0 0 49 26,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.843 98.5 56.7 -68.6 -34.2 20.8 10.8 28.6 10 11 A S G 3< S+ 0 0 5 -4,-1.2 321,-2.3 -3,-0.4 -1,-0.2 0.353 111.3 43.4 -79.9 4.3 17.4 9.6 29.9 11 12 A Y G X> S+ 0 0 0 -3,-1.0 3,-3.0 318,-0.2 4,-2.4 0.354 73.0 118.3-128.3 3.2 17.8 6.3 28.0 12 13 A A T <4 S+ 0 0 68 -3,-0.8 -2,-0.1 -4,-0.3 -3,-0.1 0.706 83.6 42.4 -43.3 -31.8 21.5 5.6 28.7 13 14 A N T 34 S+ 0 0 131 -4,-0.2 -1,-0.3 2,-0.1 3,-0.1 -0.020 123.2 38.6-107.2 28.2 20.5 2.3 30.5 14 15 A S T <4 S- 0 0 19 -3,-3.0 2,-0.3 1,-0.2 -2,-0.2 0.501 119.4 -43.5-138.0 -58.1 18.0 1.3 27.9 15 16 A F < - 0 0 10 -4,-2.4 271,-0.2 -7,-0.2 -1,-0.2 -0.939 58.4 -80.2-177.6 158.1 19.1 2.2 24.4 16 17 A K E -a 286 0A 66 269,-1.6 271,-2.4 -2,-0.3 2,-0.5 -0.302 30.9-148.7 -66.2 150.8 20.8 4.8 22.1 17 18 A I E +a 287 0A 0 269,-0.2 21,-1.7 19,-0.0 22,-0.5 -0.970 29.2 172.7-124.0 108.2 18.8 7.7 20.8 18 19 A G E -a 288 0A 0 269,-1.8 271,-2.3 -2,-0.5 2,-0.3 -0.594 20.7-148.1-115.1 176.5 20.0 8.8 17.4 19 20 A A E -ab 289 40A 0 20,-1.1 22,-2.4 269,-0.2 2,-0.6 -0.989 24.0-114.2-144.1 150.7 19.2 11.2 14.5 20 21 A A E - b 0 41A 4 269,-1.8 22,-0.2 -2,-0.3 2,-0.2 -0.760 48.3-176.1 -84.3 118.8 19.7 11.3 10.7 21 22 A V E - b 0 42A 1 20,-2.9 22,-2.1 -2,-0.6 23,-0.4 -0.593 25.1-154.0-117.3 177.9 22.1 14.1 9.9 22 23 A H >> - 0 0 38 -2,-0.2 3,-1.9 20,-0.2 4,-0.8 -0.988 31.6-119.2-146.3 143.9 23.7 16.0 7.1 23 24 A T T 34 S+ 0 0 27 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 0.731 109.0 71.0 -58.7 -20.6 27.0 18.0 7.1 24 25 A R T 34 S+ 0 0 132 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.793 104.2 39.1 -68.1 -25.7 25.1 21.1 6.3 25 26 A M T <> S+ 0 0 12 -3,-1.9 4,-2.1 1,-0.2 5,-0.2 0.572 86.1 92.8-100.9 -10.8 23.7 21.2 9.8 26 27 A L T < S+ 0 0 23 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.1 0.729 95.5 41.6 -55.3 -22.1 26.7 20.1 11.8 27 28 A Q T 4 S+ 0 0 168 -4,-0.3 3,-0.4 -3,-0.2 4,-0.3 0.931 120.0 36.8 -88.5 -59.7 27.5 23.8 12.2 28 29 A T T 4 S+ 0 0 102 -4,-0.5 3,-0.2 1,-0.2 -2,-0.2 0.940 137.8 16.7 -59.8 -54.0 24.2 25.4 12.9 29 30 A E S X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.040 87.6 116.9-111.3 24.4 22.6 22.6 15.0 30 31 A G H > S+ 0 0 4 -3,-0.4 4,-2.5 -5,-0.2 -1,-0.2 0.890 79.8 47.0 -59.3 -39.3 25.7 20.7 15.9 31 32 A E H 4 S+ 0 0 171 -4,-0.3 4,-0.4 -3,-0.2 -1,-0.2 0.876 107.5 53.6 -71.6 -40.1 25.3 21.4 19.6 32 33 A F H >> S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.904 113.6 46.7 -59.6 -40.6 21.6 20.5 19.8 33 34 A I H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.7 0.962 107.2 53.8 -64.0 -55.7 22.5 17.2 18.2 34 35 A A H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.479 111.8 50.0 -62.3 0.5 25.5 16.5 20.5 35 36 A K H <4 S+ 0 0 57 -3,-0.7 -26,-0.3 -4,-0.4 -1,-0.2 0.715 117.3 29.8-111.4 -29.4 23.1 17.0 23.5 36 37 A H H << S+ 0 0 2 -4,-1.3 -28,-0.9 -3,-0.7 2,-0.3 0.583 115.9 58.5-106.2 -11.5 20.1 14.9 22.8 37 38 A Y < - 0 0 7 -4,-2.1 -19,-0.2 -5,-0.2 3,-0.1 -0.895 40.6-179.8-124.2 149.2 21.7 12.1 20.7 38 39 A N S S+ 0 0 43 -21,-1.7 38,-1.6 -2,-0.3 2,-0.3 -0.099 82.2 42.8-130.6 30.7 24.5 9.6 21.3 39 40 A S E - c 0 76A 0 -22,-0.5 -20,-1.1 36,-0.2 2,-0.3 -0.916 63.8-175.1-170.3 146.9 24.2 8.1 17.8 40 41 A V E -bc 19 77A 1 36,-2.0 38,-1.9 -22,-0.3 2,-0.4 -0.985 10.8-152.7-149.4 156.1 23.6 9.5 14.3 41 42 A T E -bc 20 78A 0 -22,-2.4 -20,-2.9 -2,-0.3 2,-0.7 -0.995 26.4-119.2-132.6 139.0 23.1 8.3 10.7 42 43 A A E -b 21 0A 1 36,-0.6 4,-0.2 -2,-0.4 -20,-0.2 -0.682 22.4-151.6 -75.5 117.0 24.0 10.0 7.5 43 44 A E S S- 0 0 6 -22,-2.1 -1,-0.2 -2,-0.7 -21,-0.1 0.904 79.6 -25.3 -57.1 -43.3 20.6 10.4 5.8 44 45 A N S > S+ 0 0 44 -23,-0.4 3,-2.5 -3,-0.1 2,-1.6 0.541 114.3 91.0-139.1 -38.2 22.1 10.3 2.3 45 46 A Q T 3 S+ 0 0 15 1,-0.3 18,-0.3 -24,-0.3 -2,-0.1 0.200 92.2 49.3 -57.1 21.5 25.8 11.3 2.2 46 47 A M T 3 S+ 0 0 4 -2,-1.6 -1,-0.3 -4,-0.2 2,-0.1 0.195 85.5 108.5-143.7 13.4 26.9 7.7 2.8 47 48 A K S <> S- 0 0 10 -3,-2.5 4,-0.9 1,-0.0 5,-0.2 -0.364 85.1 -89.3 -87.8 171.3 25.0 5.9 0.1 48 49 A F H >> S+ 0 0 5 33,-0.2 4,-1.7 1,-0.2 3,-1.4 0.914 124.0 39.5 -46.3 -65.3 26.4 4.4 -3.1 49 50 A E H 34 S+ 0 0 67 38,-1.9 -1,-0.2 1,-0.3 39,-0.1 0.829 110.6 62.1 -58.3 -34.1 26.2 7.3 -5.5 50 51 A E H 34 S+ 0 0 77 37,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 0.667 121.6 19.0 -68.5 -17.6 27.2 9.8 -2.7 51 52 A V H << S+ 0 0 1 -3,-1.4 8,-1.3 -4,-0.9 -1,-0.2 0.386 132.8 40.1-131.1 -3.4 30.6 8.2 -2.2 52 53 A H < + 0 0 6 -4,-1.7 6,-0.2 -5,-0.2 -2,-0.1 -0.455 62.3 153.2-147.4 62.4 31.1 6.2 -5.4 53 54 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.841 71.9 27.5 -63.2 -38.6 29.8 8.5 -8.2 54 55 A R S S- 0 0 121 3,-1.0 3,-0.4 -3,-0.1 -3,-0.0 -0.863 94.0-102.8-123.1 159.1 32.0 7.1 -10.9 55 56 A E S S+ 0 0 82 -2,-0.3 -1,-0.0 1,-0.2 3,-0.0 0.791 118.5 21.7 -52.5 -35.6 33.5 3.6 -11.2 56 57 A H S S+ 0 0 163 2,-0.0 2,-0.5 -3,-0.0 -1,-0.2 0.463 109.1 85.6-114.3 -2.1 37.0 4.7 -10.1 57 58 A E - 0 0 94 -3,-0.4 -3,-1.0 2,-0.0 2,-0.3 -0.867 54.0-169.4-107.2 132.3 36.3 7.9 -8.3 58 59 A Y - 0 0 65 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.893 8.0-165.6-116.8 148.3 35.3 8.1 -4.6 59 60 A T + 0 0 57 -8,-1.3 4,-0.2 -2,-0.3 3,-0.1 -0.871 25.2 150.0-136.5 99.9 34.0 11.0 -2.7 60 61 A F > + 0 0 14 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 0.509 39.2 106.5-107.6 -8.0 34.0 10.6 1.1 61 62 A E H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.833 84.8 42.7 -39.6 -53.6 34.5 14.2 2.3 62 63 A A H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 115.5 49.0 -63.0 -47.4 30.9 14.7 3.5 63 64 A A H > S+ 0 0 0 -18,-0.3 4,-2.3 1,-0.2 3,-0.4 0.932 109.3 53.5 -57.4 -47.9 30.8 11.3 5.2 64 65 A D H X S+ 0 0 41 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.893 103.1 56.4 -54.9 -44.3 34.1 12.0 6.9 65 66 A E H X S+ 0 0 88 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.905 109.2 47.7 -57.2 -39.8 32.9 15.2 8.3 66 67 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.4 3,-0.3 0.975 112.4 46.0 -65.4 -55.9 30.0 13.4 10.0 67 68 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.3 5,-0.3 0.858 113.3 51.1 -55.9 -37.7 32.1 10.5 11.4 68 69 A D H X S+ 0 0 116 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.3 0.856 107.8 54.2 -67.3 -34.9 34.6 13.1 12.7 69 70 A F H X S+ 0 0 13 -4,-1.7 4,-1.0 -3,-0.3 -2,-0.2 0.941 116.2 36.8 -61.4 -50.0 31.8 15.0 14.3 70 71 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.5 0.949 113.0 50.9 -69.5 -59.4 30.5 12.0 16.2 71 72 A V H ><5S+ 0 0 74 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.797 108.9 54.8 -54.7 -31.3 33.7 10.1 17.2 72 73 A A H 3<5S+ 0 0 81 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.917 113.6 41.4 -69.0 -40.6 35.1 13.3 18.7 73 74 A R T 3<5S- 0 0 130 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.119 119.6-105.6 -93.8 19.9 32.0 13.8 20.8 74 75 A G T < 5S+ 0 0 67 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.871 71.2 147.5 59.4 39.6 31.7 10.1 21.8 75 76 A I < - 0 0 13 -5,-2.5 -36,-0.2 -8,-0.1 -1,-0.2 -0.818 45.0-121.4-108.4 146.8 28.7 9.5 19.5 76 77 A G E -c 39 0A 14 -38,-1.6 -36,-2.0 -2,-0.3 2,-0.4 -0.532 20.2-147.2 -86.3 152.9 27.9 6.3 17.7 77 78 A V E -c 40 0A 2 47,-0.5 50,-1.2 -38,-0.2 49,-0.8 -0.971 7.2-162.9-125.6 129.0 27.5 5.9 13.9 78 79 A R E -cd 41 127A 1 -38,-1.9 -36,-0.6 -2,-0.4 2,-0.4 -0.927 21.2-137.0-105.4 128.9 25.3 3.7 11.9 79 80 A G E - d 0 128A 0 48,-3.3 50,-1.5 -2,-0.5 2,-0.6 -0.744 21.5-135.0 -85.1 132.1 26.3 3.3 8.3 80 81 A H - 0 0 3 -2,-0.4 -34,-0.1 1,-0.2 50,-0.1 -0.820 51.0 -35.6-103.4 118.2 23.3 3.5 6.0 81 82 A T - 0 0 4 -2,-0.6 -33,-0.2 -34,-0.1 49,-0.2 0.906 37.8-176.5 44.8 120.5 22.7 1.0 3.2 82 83 A L S S+ 0 0 2 48,-1.3 2,-0.5 47,-1.0 49,-0.2 0.743 83.9 39.3-101.5 -39.8 25.4 -0.5 1.0 83 84 A V B S+e 131 0A 1 47,-2.9 49,-2.8 46,-0.3 2,-0.3 -0.947 76.0 137.9-118.5 110.4 23.0 -2.4 -1.3 84 85 A W - 0 0 26 -2,-0.5 49,-0.1 47,-0.2 50,-0.1 -0.992 55.1-128.1-150.3 148.2 19.8 -0.6 -2.3 85 86 A H S S+ 0 0 52 47,-0.5 3,-0.4 -2,-0.3 2,-0.1 0.871 92.8 67.1 -66.9 -33.7 17.8 -0.1 -5.5 86 87 A N S S+ 0 0 78 1,-0.2 -38,-0.2 -3,-0.1 -2,-0.2 -0.403 98.5 18.3 -85.9 161.3 17.8 3.7 -5.0 87 88 A Q S S+ 0 0 53 1,-0.2 -38,-1.9 -2,-0.1 -37,-0.3 0.886 83.7 130.2 45.2 54.5 20.7 6.1 -5.2 88 89 A T - 0 0 22 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.979 59.8-116.6-134.1 116.0 23.1 3.7 -7.1 89 90 A P > - 0 0 21 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.097 19.8-117.8 -55.2 152.0 24.8 5.2 -10.2 90 91 A A G >> S+ 0 0 57 1,-0.2 3,-2.3 2,-0.2 4,-1.1 0.889 106.4 65.6 -57.1 -46.5 24.1 3.7 -13.6 91 92 A W G >4 S+ 0 0 43 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.867 89.3 66.9 -47.2 -43.9 27.7 2.5 -14.4 92 93 A M G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.791 112.5 34.0 -49.4 -29.1 27.5 -0.0 -11.5 93 94 A F G <4 S+ 0 0 17 -3,-2.3 8,-3.2 -4,-0.4 -1,-0.3 0.561 110.1 78.6-104.4 -11.3 24.9 -1.9 -13.6 94 95 A E B << -J 100 0B 84 -4,-1.1 6,-0.2 -3,-1.0 2,-0.2 -0.542 59.0-149.0-102.0 166.1 26.2 -1.2 -17.1 95 96 A D > - 0 0 44 4,-2.0 3,-1.5 -2,-0.2 6,-0.1 -0.507 45.1 -78.2-115.1-173.7 29.0 -2.5 -19.3 96 97 A A T 3 S+ 0 0 111 1,-0.3 5,-0.0 -2,-0.2 -2,-0.0 0.903 126.9 47.2 -56.7 -48.1 31.1 -0.9 -22.0 97 98 A S T 3 S- 0 0 112 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.298 123.4 -97.8 -80.7 11.4 28.4 -1.0 -24.8 98 99 A G S < S+ 0 0 52 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.481 87.4 126.3 86.3 2.0 25.7 0.4 -22.5 99 100 A G - 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