==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3MS8 . COMPND 2 MOLECULE: INTRA-CELLULAR XYLANASE IXT6; . 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) . 26476.0 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 . 100 15.2 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 . 45 6.8 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 . 211 32.1 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 4 4 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 1 3 11 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 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 50 0, 0.0 3,-0.7 0, 0.0 589,-0.0 0.000 360.0 360.0 360.0 -10.6 -57.4 -20.6 -90.5 2 3 A S T 3 + 0 0 80 1,-0.3 588,-0.0 3,-0.0 0, 0.0 0.901 360.0 29.4 -51.6 -45.2 -59.6 -23.4 -89.2 3 4 A S T 3 S+ 0 0 11 587,-0.1 -1,-0.3 2,-0.1 587,-0.0 0.415 99.7 118.1 -94.6 -0.7 -62.3 -22.5 -91.7 4 5 A L S < S- 0 0 26 -3,-0.7 2,-0.0 1,-0.1 590,-0.0 -0.433 70.2-115.3 -70.0 136.4 -59.6 -21.2 -94.2 5 6 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.390 26.9-122.9 -68.8 150.4 -59.4 -22.9 -97.6 6 7 A S >> - 0 0 19 1,-0.1 4,-2.8 322,-0.0 3,-0.7 -0.869 12.0-141.0 -97.5 121.5 -56.1 -24.7 -98.2 7 8 A L H 3> S+ 0 0 7 -2,-0.6 4,-2.2 1,-0.3 -1,-0.1 0.889 101.0 49.3 -46.8 -52.4 -54.3 -23.5 -101.4 8 9 A R H 34 S+ 0 0 65 28,-1.8 -1,-0.3 1,-0.2 7,-0.2 0.851 114.3 46.5 -60.0 -33.9 -53.1 -26.9 -102.5 9 10 A D H X4 S+ 0 0 103 -3,-0.7 3,-1.3 2,-0.2 4,-0.3 0.891 108.1 54.9 -74.8 -40.6 -56.6 -28.4 -102.0 10 11 A V H 3< S+ 0 0 46 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.917 119.4 34.0 -56.7 -43.4 -58.3 -25.5 -103.8 11 12 A F T >X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 3,-2.2 0.133 81.1 123.1-101.4 21.8 -56.1 -26.1 -106.8 12 13 A A T <4 S+ 0 0 65 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.795 80.7 40.9 -52.0 -35.7 -55.9 -29.9 -106.4 13 14 A N T 34 S+ 0 0 135 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.334 121.2 43.1 -97.9 8.7 -57.2 -30.5 -109.9 14 15 A D T <4 S- 0 0 16 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.769 117.0 -38.5-116.6 -53.3 -55.2 -27.7 -111.5 15 16 A F < - 0 0 9 -4,-2.3 -1,-0.3 -7,-0.2 271,-0.3 -0.972 58.8 -85.3-172.4 159.0 -51.6 -27.6 -110.3 16 17 A R E -a 286 0A 97 269,-2.1 271,-2.3 -2,-0.3 2,-0.5 -0.338 37.9-139.4 -68.3 157.7 -49.3 -28.0 -107.3 17 18 A I E +a 287 0A 0 269,-0.2 21,-2.6 19,-0.1 22,-0.8 -0.991 29.0 179.1-121.8 122.2 -48.9 -24.9 -105.1 18 19 A G E -ab 288 39A 1 269,-2.6 271,-2.6 -2,-0.5 2,-0.3 -0.716 20.8-151.8-124.9 174.5 -45.4 -24.3 -103.9 19 20 A A E -ab 289 40A 0 20,-1.3 22,-2.0 269,-0.2 2,-0.4 -0.998 20.8-126.3-144.1 141.5 -43.2 -22.0 -101.8 20 21 A A E + b 0 41A 1 269,-1.4 2,-0.3 -2,-0.3 22,-0.2 -0.726 45.0 166.3 -84.9 136.0 -39.5 -21.0 -101.9 21 22 A V E - b 0 42A 0 20,-2.9 22,-2.9 -2,-0.4 23,-0.4 -0.854 30.5-156.2-143.2 177.1 -37.9 -21.6 -98.5 22 23 A N > - 0 0 23 -2,-0.3 4,-2.6 20,-0.2 3,-0.4 -0.945 48.4 -91.7-150.4 156.1 -34.7 -21.9 -96.4 23 24 A P H > S+ 0 0 24 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.827 125.8 50.7 -40.3 -42.0 -34.1 -23.6 -93.1 24 25 A V H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.932 112.7 42.1 -66.0 -48.6 -34.9 -20.4 -91.2 25 26 A T H > S+ 0 0 1 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.799 105.6 65.0 -71.6 -25.6 -38.2 -19.6 -93.0 26 27 A I H < S+ 0 0 5 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.919 110.3 38.5 -60.6 -40.1 -39.3 -23.2 -92.8 27 28 A E H >< S+ 0 0 123 -4,-1.3 3,-0.9 -5,-0.3 4,-0.2 0.942 118.3 48.1 -72.6 -49.0 -39.3 -22.7 -89.0 28 29 A M H 3< S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.805 127.5 25.2 -62.2 -33.6 -40.7 -19.2 -89.1 29 30 A Q T 3X S+ 0 0 2 -4,-3.1 4,-2.1 -5,-0.1 3,-0.4 0.070 83.0 128.8-120.7 23.5 -43.5 -20.1 -91.5 30 31 A K H <> S+ 0 0 75 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.850 72.1 47.5 -48.2 -49.0 -43.9 -23.8 -90.8 31 32 A Q H > S+ 0 0 117 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 110.1 52.2 -65.9 -38.7 -47.6 -23.9 -90.2 32 33 A L H > S+ 0 0 13 -3,-0.4 4,-1.8 2,-0.2 5,-0.3 0.936 112.5 46.2 -61.2 -45.7 -48.5 -21.9 -93.3 33 34 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.954 112.7 49.4 -61.1 -51.0 -46.4 -24.2 -95.4 34 35 A I H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.0 43.4 -57.0 -38.9 -47.9 -27.3 -93.8 35 36 A D H < S+ 0 0 68 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.730 127.8 21.1 -82.1 -21.3 -51.4 -26.0 -94.3 36 37 A H H < S+ 0 0 8 -4,-1.8 -28,-1.8 -3,-0.4 2,-0.2 0.760 101.2 68.0-120.9 -31.3 -51.1 -24.7 -97.9 37 38 A V < - 0 0 3 -4,-2.1 -19,-0.2 -5,-0.3 3,-0.1 -0.634 31.7-179.3-103.7 156.9 -48.4 -26.1 -100.1 38 39 A N S S+ 0 0 30 -21,-2.6 38,-2.6 -2,-0.2 2,-0.3 0.035 75.8 55.9-131.6 21.5 -47.5 -29.4 -101.7 39 40 A S E -bc 18 76A 0 -22,-0.8 -20,-1.3 36,-0.3 2,-0.3 -0.977 61.7-165.0-153.6 143.6 -44.3 -28.3 -103.4 40 41 A I E -bc 19 77A 0 36,-2.1 38,-2.5 -2,-0.3 2,-0.4 -0.976 3.1-171.4-132.9 143.6 -41.1 -26.7 -102.0 41 42 A T E -bc 20 78A 1 -22,-2.0 -20,-2.9 -2,-0.3 2,-0.6 -0.989 30.1-117.8-132.8 141.5 -38.1 -25.0 -103.7 42 43 A A E -b 21 0A 0 36,-0.7 4,-0.2 -2,-0.4 -20,-0.2 -0.699 18.4-152.6 -79.9 122.4 -34.8 -23.9 -102.0 43 44 A E S S- 0 0 11 -22,-2.9 -1,-0.2 -2,-0.6 -21,-0.1 0.873 83.0 -21.4 -63.0 -36.9 -34.6 -20.2 -102.3 44 45 A N S > S+ 0 0 45 -23,-0.4 3,-1.8 -3,-0.1 6,-0.3 0.524 115.9 86.8-143.6 -28.3 -30.8 -20.2 -102.2 45 46 A H T 3 S+ 0 0 37 -24,-0.3 18,-0.4 1,-0.3 -2,-0.1 0.388 89.8 50.6 -70.2 3.7 -29.4 -23.4 -100.7 46 47 A M T 3 S+ 0 0 0 34,-0.4 -1,-0.3 -4,-0.2 2,-0.1 0.220 85.5 109.5-119.0 11.1 -29.4 -25.5 -103.9 47 48 A K S X> S- 0 0 12 -3,-1.8 3,-1.4 1,-0.1 4,-0.8 -0.491 86.1-101.2 -81.7 158.2 -27.5 -22.9 -105.9 48 49 A F H >> S+ 0 0 3 33,-0.5 4,-2.8 1,-0.3 3,-1.5 0.881 119.0 52.1 -47.3 -53.7 -23.9 -23.7 -106.9 49 50 A E H 34 S+ 0 0 71 38,-2.2 -1,-0.3 1,-0.3 39,-0.1 0.734 112.4 47.4 -60.0 -22.3 -22.2 -21.5 -104.3 50 51 A H H <4 S+ 0 0 63 -3,-1.4 -1,-0.3 -6,-0.3 13,-0.2 0.501 118.5 38.9 -97.2 -5.1 -24.2 -23.2 -101.5 51 52 A L H << S+ 0 0 0 -3,-1.5 8,-2.2 -4,-0.8 -2,-0.2 0.723 132.3 16.6-111.2 -37.0 -23.6 -26.8 -102.7 52 53 A Q < + 0 0 6 -4,-2.8 6,-0.2 6,-0.2 -2,-0.1 -0.552 65.1 164.8-138.9 71.7 -20.0 -26.8 -103.8 53 54 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.735 77.2 21.5 -58.0 -28.2 -18.3 -23.6 -102.4 54 55 A E B > S-I 57 0B 114 3,-0.9 3,-2.4 -3,-0.1 2,-0.1 -0.966 106.4 -83.2-139.0 149.0 -14.9 -25.0 -103.1 55 56 A E T 3 S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.355 117.4 7.6 -59.4 125.1 -13.9 -27.7 -105.7 56 57 A G T 3 S+ 0 0 59 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.355 104.9 108.3 86.1 -6.9 -14.5 -31.1 -104.1 57 58 A K B < -I 54 0B 104 -3,-2.4 -3,-0.9 2,-0.0 2,-0.5 -0.894 48.9-173.6-107.6 105.1 -16.2 -29.6 -101.0 58 59 A F - 0 0 58 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.850 11.0-167.7-102.5 133.2 -19.9 -30.3 -101.1 59 60 A T + 0 0 36 -8,-2.2 4,-0.4 -2,-0.5 3,-0.3 -0.729 23.3 154.2-120.9 81.5 -22.2 -28.7 -98.4 60 61 A F > + 0 0 22 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.397 42.0 103.6 -87.1 1.8 -25.6 -30.4 -98.6 61 62 A Q H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 85.1 37.9 -52.9 -54.1 -26.6 -29.8 -95.0 62 63 A E H > S+ 0 0 67 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.923 118.5 49.5 -65.5 -43.9 -29.0 -26.9 -95.6 63 64 A A H > S+ 0 0 0 -4,-0.4 4,-2.5 -18,-0.4 -2,-0.2 0.898 109.3 53.1 -61.2 -40.8 -30.4 -28.5 -98.8 64 65 A D H X S+ 0 0 50 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.876 106.6 52.7 -61.2 -39.3 -30.9 -31.8 -97.0 65 66 A R H X S+ 0 0 139 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.900 110.1 47.7 -64.3 -40.5 -32.9 -30.0 -94.2 66 67 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 113.4 47.3 -66.5 -45.5 -35.2 -28.5 -96.8 67 68 A V H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.899 110.3 52.2 -64.0 -40.6 -35.7 -31.8 -98.6 68 69 A D H X S+ 0 0 114 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.901 109.2 50.8 -62.2 -40.6 -36.3 -33.7 -95.3 69 70 A F H X S+ 0 0 17 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.966 112.6 45.9 -60.3 -52.3 -39.0 -31.1 -94.4 70 71 A A H ><>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 3,-1.0 0.929 114.3 47.2 -56.9 -50.0 -40.7 -31.5 -97.8 71 72 A C H ><5S+ 0 0 54 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.856 106.0 57.4 -64.0 -35.4 -40.6 -35.3 -97.7 72 73 A S H 3<5S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.704 114.5 40.2 -69.8 -15.6 -41.9 -35.6 -94.1 73 74 A H T <<5S- 0 0 73 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.157 115.7-112.7-116.1 17.1 -44.9 -33.6 -95.2 74 75 A R T < 5 + 0 0 231 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.868 65.7 149.8 52.9 43.2 -45.3 -35.4 -98.6 75 76 A M < - 0 0 10 -5,-3.0 -36,-0.3 -6,-0.1 -1,-0.2 -0.836 45.6-122.6-104.3 142.9 -44.5 -32.2 -100.5 76 77 A A E -c 39 0A 16 -38,-2.6 -36,-2.1 -2,-0.4 2,-0.4 -0.328 24.7-139.0 -76.0 166.0 -42.8 -32.3 -103.9 77 78 A V E -c 40 0A 0 47,-0.4 49,-1.2 -38,-0.2 50,-0.8 -0.996 7.6-155.4-133.9 133.2 -39.5 -30.5 -104.4 78 79 A R E -cd 41 127A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.5 -0.903 22.2-131.5-103.9 132.7 -38.2 -28.5 -107.4 79 80 A G E - d 0 128A 0 48,-3.1 50,-2.9 -2,-0.5 2,-0.4 -0.750 21.6-147.6 -88.3 125.3 -34.4 -28.3 -107.7 80 81 A H E - d 0 129A 9 -2,-0.5 -34,-0.4 1,-0.2 -38,-0.1 -0.975 51.5 -12.2-139.3 118.0 -33.1 -24.7 -108.2 81 82 A T E + 0 0 2 48,-0.6 -33,-0.5 -2,-0.4 -1,-0.2 0.697 37.6 163.1-149.9 154.5 -30.7 -24.3 -109.9 82 83 A L E S+ 0 0 2 47,-2.1 2,-0.6 1,-0.2 49,-0.2 0.969 82.5 27.2 -83.6 -55.9 -27.7 -26.0 -111.6 83 84 A V E S+ d 0 131A 3 47,-2.6 49,-2.3 46,-0.3 2,-0.3 -0.933 73.0 142.6-117.9 114.1 -26.2 -23.6 -114.2 84 85 A W E - d 0 132A 23 -2,-0.6 49,-0.1 2,-0.2 64,-0.0 -0.982 54.2-128.1-146.7 151.1 -26.6 -19.8 -113.7 85 86 A H S S+ 0 0 56 47,-0.5 2,-0.3 -2,-0.3 3,-0.2 0.585 94.6 64.3 -76.8 -8.9 -24.4 -16.7 -114.3 86 87 A N S S+ 0 0 74 1,-0.2 -38,-0.2 60,-0.0 -2,-0.2 -0.738 98.5 17.6-112.6 163.7 -25.1 -15.7 -110.7 87 88 A Q S S+ 0 0 53 -2,-0.3 -38,-2.2 1,-0.2 -37,-0.3 0.845 85.1 129.2 43.8 48.5 -24.2 -17.3 -107.3 88 89 A T - 0 0 21 -3,-0.2 -1,-0.2 -40,-0.2 -5,-0.0 -0.999 61.6-113.0-130.1 124.5 -21.5 -19.5 -108.8 89 90 A P > - 0 0 20 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.178 17.4-124.3 -57.5 146.8 -18.0 -19.5 -107.1 90 91 A D G >> S+ 0 0 109 1,-0.2 3,-1.6 2,-0.2 4,-0.8 0.827 104.2 72.8 -62.1 -31.8 -15.0 -18.1 -109.0 91 92 A W G >4 S+ 0 0 43 1,-0.3 3,-0.7 -38,-0.2 -1,-0.2 0.828 84.3 69.8 -53.1 -33.3 -13.0 -21.3 -108.6 92 93 A V G <4 S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.803 107.4 33.3 -55.0 -35.0 -15.3 -22.9 -111.2 93 94 A F G <4 S+ 0 0 12 -3,-1.6 8,-2.4 -4,-0.3 -1,-0.2 0.486 108.8 78.8-103.5 -4.2 -13.9 -20.9 -114.1 94 95 A Q B << -J 100 0C 73 -4,-0.8 6,-0.2 -3,-0.7 2,-0.1 -0.678 59.2-149.6-108.6 160.7 -10.3 -20.6 -113.0 95 96 A D > - 0 0 62 4,-2.2 3,-1.0 -2,-0.2 -1,-0.1 -0.237 49.8 -75.1-104.9-162.8 -7.2 -22.8 -113.0 96 97 A G T 3 S+ 0 0 89 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.888 132.1 50.1 -66.2 -38.8 -4.3 -22.9 -110.6 97 98 A Q T 3 S- 0 0 70 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.384 119.6-107.9 -81.0 3.9 -2.8 -19.7 -112.0 98 99 A G S < S+ 0 0 36 -3,-1.0 2,-0.1 1,-0.3 -2,-0.1 0.437 79.6 131.3 84.2 -2.1 -6.1 -17.9 -111.7 99 100 A H - 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