==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-10 3MUI . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR V.SOLOMON,G.ZOLOTNITSKY,R.EL-HADAF,Y.SHOHAM,G.SHOHAM . 658 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 0 5 3 0 0 0 0 6 0 0 1 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 10 4 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 . 8 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 . 2 2 0 0 0 0 0 2 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 2 A N > 0 0 47 0, 0.0 3,-0.7 0, 0.0 589,-0.0 0.000 360.0 360.0 360.0 -24.8 -57.4 -20.8 -90.3 2 3 A S T 3 + 0 0 81 1,-0.3 588,-0.0 3,-0.0 0, 0.0 0.896 360.0 25.3 -46.7 -48.1 -59.7 -23.5 -88.9 3 4 A S T 3 S+ 0 0 12 587,-0.1 -1,-0.3 2,-0.1 587,-0.0 0.408 100.6 117.7 -97.3 -0.0 -62.3 -22.6 -91.5 4 5 A L S < S- 0 0 26 -3,-0.7 590,-0.0 1,-0.1 589,-0.0 -0.452 70.9-113.5 -69.7 135.4 -59.7 -21.2 -94.0 5 6 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.338 26.8-122.2 -66.9 152.0 -59.4 -22.9 -97.3 6 7 A S >> - 0 0 19 1,-0.2 4,-3.0 322,-0.1 3,-0.6 -0.875 11.8-141.6 -98.2 122.3 -56.1 -24.7 -98.0 7 8 A L H 3> S+ 0 0 6 -2,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.898 100.8 48.8 -47.8 -53.0 -54.3 -23.4 -101.1 8 9 A R H 34 S+ 0 0 65 28,-1.9 -1,-0.3 1,-0.2 7,-0.2 0.841 115.0 45.8 -59.3 -34.2 -53.0 -26.9 -102.2 9 10 A D H X4 S+ 0 0 104 -3,-0.6 3,-1.6 2,-0.2 4,-0.3 0.915 108.0 55.5 -74.5 -44.9 -56.5 -28.4 -101.8 10 11 A V H 3< S+ 0 0 45 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.910 120.2 32.7 -52.2 -43.7 -58.3 -25.5 -103.5 11 12 A F T >X S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.2 4,-2.3 0.170 81.4 123.1-101.8 19.4 -56.1 -26.1 -106.6 12 13 A A T <4 S+ 0 0 62 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.797 81.3 41.1 -49.3 -35.2 -55.8 -29.9 -106.1 13 14 A N T 34 S+ 0 0 132 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.384 120.9 43.1 -97.2 4.6 -57.1 -30.5 -109.6 14 15 A D T <4 S- 0 0 11 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.791 117.6 -38.9-113.6 -52.5 -55.2 -27.7 -111.3 15 16 A F < - 0 0 7 -4,-2.3 -1,-0.3 -7,-0.2 271,-0.3 -0.973 59.1 -84.9-172.3 160.5 -51.6 -27.5 -110.1 16 17 A R E -a 286 0A 100 269,-2.2 271,-2.4 -2,-0.3 2,-0.5 -0.345 37.5-138.9 -70.1 157.6 -49.3 -27.9 -107.1 17 18 A I E +a 287 0A 0 269,-0.2 21,-2.6 19,-0.1 22,-0.7 -0.990 29.3 179.6-120.8 123.5 -48.9 -24.9 -104.9 18 19 A G E -ab 288 39A 1 269,-2.6 271,-2.3 -2,-0.5 2,-0.3 -0.701 20.2-151.8-124.2 176.7 -45.3 -24.2 -103.6 19 20 A A E -ab 289 40A 0 20,-1.1 22,-2.1 269,-0.2 2,-0.4 -0.996 20.4-126.6-147.3 141.0 -43.1 -21.9 -101.6 20 21 A A E + b 0 41A 1 269,-1.4 2,-0.3 -2,-0.3 22,-0.2 -0.745 45.3 166.5 -84.9 132.3 -39.5 -20.9 -101.7 21 22 A V E - b 0 42A 0 20,-2.9 22,-3.1 -2,-0.4 23,-0.4 -0.838 30.0-157.9-140.5 176.2 -37.9 -21.5 -98.2 22 23 A N > - 0 0 21 -2,-0.3 4,-2.4 20,-0.2 5,-0.2 -0.928 48.7 -91.1-148.0 160.9 -34.7 -21.7 -96.2 23 24 A P H > S+ 0 0 22 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.842 125.9 50.7 -46.1 -38.4 -34.1 -23.5 -92.8 24 25 A V H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.948 112.6 42.2 -67.4 -50.5 -35.0 -20.2 -91.0 25 26 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.783 105.7 65.0 -69.6 -24.9 -38.3 -19.5 -92.7 26 27 A I H < S+ 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.910 111.1 37.3 -62.0 -39.2 -39.3 -23.1 -92.5 27 28 A E H >< S+ 0 0 124 -4,-1.2 3,-1.0 -3,-0.4 4,-0.3 0.943 118.4 49.0 -74.6 -49.8 -39.3 -22.6 -88.7 28 29 A M H 3< S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.763 127.9 24.3 -61.8 -29.8 -40.7 -19.1 -88.8 29 30 A Q T 3X S+ 0 0 2 -4,-2.7 4,-2.1 -5,-0.2 3,-0.4 0.064 83.2 130.1-125.0 23.5 -43.6 -20.0 -91.2 30 31 A K H <> S+ 0 0 74 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.858 72.1 47.1 -47.0 -50.7 -43.9 -23.7 -90.5 31 32 A Q H > S+ 0 0 115 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.880 109.9 53.0 -65.3 -37.7 -47.6 -23.9 -89.9 32 33 A L H > S+ 0 0 12 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.944 112.2 45.7 -60.5 -47.5 -48.5 -21.8 -93.0 33 34 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.2 0.948 113.0 49.8 -59.7 -50.3 -46.4 -24.2 -95.2 34 35 A I H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.9 43.1 -57.0 -40.7 -47.9 -27.3 -93.5 35 36 A D H < S+ 0 0 68 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.756 127.9 21.6 -79.5 -24.9 -51.4 -26.0 -94.0 36 37 A H H < S+ 0 0 9 -4,-2.1 -28,-1.9 -3,-0.2 2,-0.2 0.774 101.0 68.2-117.9 -31.7 -51.1 -24.7 -97.6 37 38 A V < - 0 0 2 -4,-2.0 -19,-0.2 -5,-0.3 3,-0.1 -0.619 32.3-178.5-102.6 157.3 -48.3 -26.0 -99.8 38 39 A N S S+ 0 0 29 -21,-2.6 38,-2.5 -2,-0.2 2,-0.3 0.012 76.7 53.4-131.3 22.9 -47.5 -29.4 -101.5 39 40 A S E -bc 18 76A 0 -22,-0.7 -20,-1.1 36,-0.3 2,-0.3 -0.967 62.1-164.6-157.6 143.9 -44.3 -28.3 -103.1 40 41 A I E -bc 19 77A 0 36,-2.0 38,-2.5 -2,-0.3 2,-0.4 -0.966 2.7-169.4-132.4 146.1 -41.1 -26.6 -101.8 41 42 A T E -bc 20 78A 1 -22,-2.1 -20,-2.9 -2,-0.3 2,-0.5 -0.993 30.1-117.4-134.2 141.7 -38.1 -24.9 -103.4 42 43 A A E -b 21 0A 0 36,-0.7 4,-0.2 -2,-0.4 -20,-0.2 -0.685 18.8-152.6 -78.0 123.2 -34.8 -23.9 -101.7 43 44 A E S S- 0 0 10 -22,-3.1 -1,-0.2 -2,-0.5 -21,-0.1 0.885 83.4 -20.9 -64.4 -36.6 -34.6 -20.1 -102.0 44 45 A N S > S+ 0 0 45 -23,-0.4 3,-1.8 -3,-0.1 6,-0.3 0.537 115.7 86.8-142.8 -27.4 -30.8 -20.2 -101.9 45 46 A H T 3 S+ 0 0 35 1,-0.3 18,-0.3 17,-0.1 -2,-0.1 0.332 90.0 50.4 -73.1 9.0 -29.4 -23.4 -100.5 46 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.225 85.8 108.6-123.2 9.9 -29.4 -25.5 -103.6 47 48 A K S X> S- 0 0 12 -3,-1.8 3,-1.2 1,-0.1 4,-0.7 -0.488 87.2 -99.8 -81.8 158.3 -27.6 -22.9 -105.7 48 49 A F H >> S+ 0 0 4 33,-0.5 4,-2.7 1,-0.3 3,-1.6 0.874 119.1 51.5 -46.2 -54.6 -23.9 -23.6 -106.6 49 50 A E H 34 S+ 0 0 66 38,-2.3 -1,-0.3 1,-0.3 39,-0.1 0.756 111.9 48.4 -59.2 -25.7 -22.2 -21.5 -103.9 50 51 A H H <4 S+ 0 0 63 -3,-1.2 -1,-0.3 -6,-0.3 13,-0.2 0.516 118.2 38.4 -93.7 -4.4 -24.3 -23.1 -101.2 51 52 A L H << S+ 0 0 0 -3,-1.6 8,-2.3 -4,-0.7 -2,-0.2 0.732 133.0 15.4-111.7 -37.3 -23.7 -26.7 -102.4 52 53 A Q < + 0 0 6 -4,-2.7 6,-0.2 6,-0.2 -2,-0.1 -0.562 65.0 164.7-139.7 72.0 -20.0 -26.7 -103.5 53 54 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.722 77.7 22.4 -60.1 -25.6 -18.4 -23.5 -102.1 54 55 A E B > S-I 57 0B 115 3,-0.9 3,-2.3 -3,-0.1 2,-0.2 -0.967 106.6 -83.6-140.0 149.5 -14.9 -24.9 -102.8 55 56 A E T 3 S+ 0 0 118 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.376 116.7 7.1 -60.9 124.2 -14.0 -27.7 -105.3 56 57 A G T 3 S+ 0 0 60 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.379 105.3 108.4 86.6 -5.3 -14.6 -31.1 -103.8 57 58 A K B < -I 54 0B 103 -3,-2.3 -3,-0.9 2,-0.0 2,-0.5 -0.896 48.9-174.1-108.7 104.4 -16.2 -29.5 -100.7 58 59 A F - 0 0 58 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.852 11.6-167.9-102.6 132.3 -20.0 -30.2 -100.7 59 60 A T + 0 0 35 -8,-2.3 4,-0.3 -2,-0.5 3,-0.3 -0.721 23.0 154.6-120.1 81.0 -22.2 -28.6 -98.1 60 61 A F > + 0 0 22 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.397 42.2 103.0 -85.9 1.0 -25.6 -30.4 -98.3 61 62 A Q H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 84.8 38.6 -52.6 -56.1 -26.7 -29.7 -94.7 62 63 A E H > S+ 0 0 65 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.913 118.7 49.1 -63.5 -43.0 -29.1 -26.8 -95.3 63 64 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 -18,-0.3 -1,-0.2 0.906 109.5 52.8 -62.7 -41.1 -30.5 -28.4 -98.5 64 65 A D H X S+ 0 0 35 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.882 107.0 52.9 -60.8 -40.0 -30.9 -31.8 -96.7 65 66 A R H X S+ 0 0 132 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.903 110.1 47.5 -63.2 -41.5 -32.9 -30.0 -94.0 66 67 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 113.9 46.7 -65.8 -45.7 -35.2 -28.5 -96.6 67 68 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.908 110.8 52.6 -63.7 -42.1 -35.7 -31.8 -98.3 68 69 A D H X S+ 0 0 88 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.925 109.1 50.0 -59.1 -45.1 -36.3 -33.6 -95.1 69 70 A F H X S+ 0 0 20 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.954 112.9 47.2 -58.2 -49.8 -39.0 -31.1 -94.1 70 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-1.2 0.936 114.0 45.8 -57.9 -51.1 -40.7 -31.5 -97.5 71 72 A C H ><5S+ 0 0 62 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.855 106.4 58.6 -63.4 -35.6 -40.6 -35.3 -97.4 72 73 A S H 3<5S+ 0 0 83 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.627 114.5 39.1 -70.5 -10.1 -41.8 -35.5 -93.8 73 74 A H T <<5S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.170 115.8-110.9-122.5 16.1 -44.9 -33.6 -95.0 74 75 A R T < 5 + 0 0 86 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.888 66.4 151.4 55.4 42.9 -45.4 -35.3 -98.4 75 76 A M < - 0 0 11 -5,-3.1 -36,-0.3 -8,-0.2 -1,-0.2 -0.850 43.9-125.4-104.6 140.5 -44.4 -32.1 -100.2 76 77 A A E -c 39 0A 15 -38,-2.5 -36,-2.0 -2,-0.4 2,-0.4 -0.309 23.8-139.9 -75.3 167.7 -42.8 -32.2 -103.7 77 78 A V E -c 40 0A 0 47,-0.3 49,-1.1 -38,-0.2 50,-0.8 -0.999 8.1-155.6-136.4 134.2 -39.5 -30.4 -104.2 78 79 A R E -cd 41 127A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.5 -0.912 22.9-131.4-105.4 132.3 -38.2 -28.4 -107.1 79 80 A G E - d 0 128A 0 48,-3.0 50,-3.0 -2,-0.5 2,-0.4 -0.747 21.6-147.1 -87.9 126.3 -34.4 -28.2 -107.4 80 81 A H E - d 0 129A 8 -2,-0.5 -34,-0.5 1,-0.2 50,-0.1 -0.966 52.0 -12.6-139.9 117.4 -33.1 -24.6 -107.9 81 82 A T E + 0 0 1 48,-0.6 -33,-0.5 -2,-0.4 -1,-0.2 0.688 37.5 163.3-151.5 153.3 -30.7 -24.2 -109.6 82 83 A L E S+ 0 0 1 47,-2.0 2,-0.6 1,-0.2 49,-0.2 0.971 83.0 26.7 -81.0 -57.8 -27.7 -25.9 -111.3 83 84 A V E S+ d 0 131A 3 47,-2.8 49,-2.3 46,-0.3 2,-0.3 -0.929 73.2 142.6-117.3 114.7 -26.2 -23.5 -113.9 84 85 A W E - d 0 132A 23 -2,-0.6 49,-0.1 2,-0.2 64,-0.0 -0.980 54.4-127.3-146.7 151.7 -26.6 -19.7 -113.4 85 86 A H S S+ 0 0 55 47,-0.5 3,-0.2 -2,-0.3 2,-0.2 0.600 94.8 63.4 -76.3 -10.4 -24.5 -16.6 -113.9 86 87 A N S S+ 0 0 74 1,-0.2 -38,-0.2 60,-0.0 -2,-0.2 -0.695 98.6 18.1-111.6 165.9 -25.1 -15.6 -110.3 87 88 A Q S S+ 0 0 52 -2,-0.2 -38,-2.3 1,-0.2 -37,-0.3 0.818 84.6 128.2 42.2 47.6 -24.2 -17.2 -107.0 88 89 A T - 0 0 21 -3,-0.2 -1,-0.2 -40,-0.2 -5,-0.0 -0.993 61.7-114.9-130.3 120.4 -21.5 -19.4 -108.4 89 90 A P > - 0 0 21 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.112 18.4-121.5 -54.7 149.8 -18.0 -19.3 -106.7 90 91 A D G >> S+ 0 0 106 1,-0.2 3,-1.6 2,-0.2 4,-0.8 0.812 104.9 72.6 -63.5 -31.5 -15.0 -18.0 -108.7 91 92 A W G >4 S+ 0 0 41 1,-0.3 3,-0.8 -38,-0.2 -1,-0.2 0.841 84.5 69.8 -53.6 -34.1 -13.1 -21.2 -108.3 92 93 A V G <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.807 108.6 32.7 -54.1 -34.2 -15.4 -22.8 -110.8 93 94 A F G <4 S+ 0 0 11 -3,-1.6 8,-2.1 -4,-0.3 -1,-0.2 0.480 110.3 77.2-104.6 -3.8 -14.0 -20.8 -113.7 94 95 A Q B << -J 100 0C 71 -4,-0.8 6,-0.2 -3,-0.8 2,-0.1 -0.628 56.4-154.3-109.1 166.4 -10.4 -20.4 -112.5 95 96 A D - 0 0 63 4,-1.7 3,-0.5 -2,-0.2 -1,-0.1 -0.209 51.7 -71.5-112.2-155.1 -7.2 -22.6 -112.5 96 97 A G S S+ 0 0 84 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.924 132.4 49.4 -71.7 -44.0 -4.2 -22.4 -110.2 97 98 A Q S S- 0 0 67 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.436 120.0-108.2 -74.7 0.9 -2.8 -19.2 -111.7 98 99 A G S S+ 0 0 37 -3,-0.5 2,-0.1 1,-0.3 -2,-0.1 0.506 78.9 134.3 83.8 3.5 -6.3 -17.6 -111.3 99 100 A H - 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