==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-01 1H6X . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR H.XIE,D.N.BOLAM,S.J.CHARNOCK,G.J.DAVIES,M.P.WILLIAMSON, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 40.9 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.6 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 . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 3 1 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 3 A E 0 0 181 0, 0.0 2,-0.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -20.7 14.2 29.1 17.4 2 4 A P - 0 0 44 0, 0.0 6,-0.2 0, 0.0 150,-0.1 -0.383 360.0 -99.4 -79.0 168.0 17.2 27.3 19.1 3 5 A D > - 0 0 82 4,-2.4 3,-2.3 -2,-0.1 6,-0.0 -0.086 48.8 -78.6 -76.5-176.8 16.7 23.8 20.5 4 6 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.905 133.0 48.1 -46.0 -54.6 16.1 22.9 24.2 5 7 A N T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.275 122.4-104.7 -76.5 11.8 19.8 23.3 25.1 6 8 A G S < S+ 0 0 12 -3,-2.3 147,-2.1 1,-0.3 2,-0.5 0.633 73.8 146.5 75.3 13.4 19.9 26.6 23.2 7 9 A Y E -A 152 0A 37 145,-0.2 -4,-2.4 1,-0.2 145,-0.3 -0.730 33.6-175.3 -89.6 127.2 21.8 25.0 20.3 8 10 A Y E S+ 0 0 62 143,-2.9 2,-0.3 -2,-0.5 144,-0.2 0.781 82.3 7.3 -85.3 -36.1 21.2 26.4 16.8 9 11 A Y E -A 151 0A 13 142,-1.8 142,-1.9 -6,-0.0 -1,-0.4 -0.983 61.9-179.0-142.6 149.6 23.4 23.7 15.3 10 12 A H E -A 150 0A 79 -2,-0.3 2,-0.7 140,-0.2 140,-0.2 -0.805 8.4-168.3-150.2 102.2 25.0 20.7 16.8 11 13 A D E +A 149 0A 22 138,-3.0 138,-1.4 -2,-0.3 137,-0.3 -0.848 16.5 168.4-102.9 109.5 27.2 18.4 14.6 12 14 A T - 0 0 52 -2,-0.7 28,-0.2 136,-0.2 25,-0.2 0.621 39.8-136.8 -87.5 -19.0 28.2 15.1 16.1 13 15 A F + 0 0 2 3,-0.2 2,-1.0 1,-0.2 18,-0.2 0.834 53.4 146.3 62.8 31.6 29.4 13.8 12.7 14 16 A E S S- 0 0 68 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.777 86.6 -26.7 -99.0 86.5 27.8 10.5 13.5 15 17 A G S S+ 0 0 61 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.1 0.282 130.9 68.7 93.3 -10.8 26.7 9.4 10.0 16 18 A S - 0 0 69 1,-0.1 -3,-0.2 13,-0.0 3,-0.1 -0.998 58.8-153.6-145.1 144.8 26.5 12.9 8.6 17 19 A V > - 0 0 50 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.474 37.7-159.8 -89.3 -1.9 28.7 15.9 7.7 18 20 A G T 3 - 0 0 26 1,-0.3 -1,-0.3 -8,-0.0 -7,-0.0 -0.331 62.6 -29.4 58.9-136.3 25.9 18.3 8.2 19 21 A Q T 3 S+ 0 0 130 -3,-0.1 38,-0.5 38,-0.1 2,-0.3 0.210 104.5 127.1 -95.8 15.8 26.5 21.6 6.4 20 22 A W E < +F 56 0B 7 -3,-2.0 2,-0.3 36,-0.1 36,-0.2 -0.547 30.5 166.5 -80.7 132.6 30.3 21.2 6.7 21 23 A T E -F 55 0B 70 34,-2.8 34,-2.7 -2,-0.3 2,-0.2 -0.858 35.5 -90.8-134.3 174.2 32.4 21.5 3.6 22 24 A A E -F 54 0B 29 -2,-0.3 2,-0.4 32,-0.2 32,-0.2 -0.559 24.6-145.2 -88.7 150.8 36.0 21.9 2.8 23 25 A A E > S-F 53 0B 3 30,-2.5 30,-1.1 -2,-0.2 3,-0.7 -0.945 70.4 -2.9-109.8 134.8 37.9 25.2 2.3 24 26 A G T 3 S- 0 0 38 -2,-0.4 -2,-0.1 1,-0.2 23,-0.1 -0.267 122.6 -37.7 78.1-167.6 40.6 25.1 -0.4 25 27 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 22,-0.0 0.434 108.8 115.9 -74.2 4.8 41.6 22.0 -2.4 26 28 A A < - 0 0 12 -3,-0.7 2,-0.4 27,-0.1 20,-0.2 -0.025 57.9-136.6 -69.4 172.4 41.1 20.0 0.8 27 29 A E E -B 45 0A 76 18,-2.7 18,-3.0 -6,-0.1 2,-0.4 -0.994 7.9-159.5-133.1 141.6 38.5 17.4 1.5 28 30 A V E +B 44 0A 23 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.960 23.3 155.7-117.6 139.3 36.3 16.7 4.5 29 31 A L E -B 43 0A 46 14,-1.8 14,-3.0 -2,-0.4 12,-0.1 -0.984 46.6 -89.0-159.1 154.2 34.8 13.4 5.2 30 32 A L E -B 42 0A 47 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.399 46.9-172.4 -66.2 141.9 33.5 11.3 8.1 31 33 A S E -B 41 0A 19 10,-2.4 10,-2.0 -18,-0.2 3,-0.3 -0.990 31.0-164.6-144.8 136.4 36.1 9.2 9.9 32 34 A G S S+ 0 0 57 -2,-0.3 3,-0.1 8,-0.2 -1,-0.1 0.300 70.4 99.6 -95.4 7.6 36.1 6.5 12.5 33 35 A R S S- 0 0 154 1,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.924 99.4 -4.1 -61.9 -40.4 39.8 6.8 13.1 34 36 A T - 0 0 33 -3,-0.3 7,-0.3 7,-0.1 2,-0.3 -0.984 66.4-176.8-148.4 157.9 39.2 9.0 16.2 35 37 A A - 0 0 28 -2,-0.3 3,-0.2 5,-0.1 6,-0.1 -0.992 24.9-157.9-153.9 154.7 36.3 10.6 18.0 36 38 A Y S S+ 0 0 103 1,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.796 94.0 7.0-100.2 -45.4 35.6 12.8 20.9 37 39 A K S S+ 0 0 122 3,-0.3 -1,-0.6 -25,-0.2 3,-0.4 -0.960 125.5 1.1-131.8 149.7 32.1 11.7 21.3 38 40 A G S S- 0 0 63 -2,-0.3 -3,-0.1 1,-0.2 3,-0.1 -0.326 105.1 -60.2 72.6-154.0 30.4 8.8 19.4 39 41 A S S S+ 0 0 76 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.545 110.1 46.1-105.5 -10.0 32.3 6.8 16.9 40 42 A E - 0 0 49 -3,-0.4 -4,-0.3 -28,-0.2 -3,-0.3 -0.946 46.4-177.4-141.3 158.6 33.2 9.5 14.5 41 43 A S E -B 31 0A 0 -10,-2.0 -10,-2.4 -7,-0.3 2,-0.5 -0.761 44.0 -89.3-133.3 178.3 34.6 12.9 13.9 42 44 A L E -BC 30 146A 0 104,-3.4 104,-2.1 -2,-0.3 2,-0.4 -0.854 38.3-147.9 -97.9 126.1 35.1 15.0 10.7 43 45 A L E -BC 29 145A 11 -14,-3.0 -14,-1.8 -2,-0.5 2,-0.6 -0.782 6.6-161.1 -97.0 135.4 38.4 14.5 9.0 44 46 A V E +BC 28 144A 0 100,-3.1 100,-1.9 -2,-0.4 2,-0.2 -0.962 28.4 150.8-117.6 115.4 40.1 17.4 7.1 45 47 A R E +B 27 0A 81 -18,-3.0 -18,-2.7 -2,-0.6 3,-0.1 -0.787 35.8 55.3-138.8-178.2 42.7 16.3 4.7 46 48 A N + 0 0 94 -2,-0.2 2,-0.2 -20,-0.2 -1,-0.1 0.806 66.2 164.4 58.6 33.1 44.6 17.0 1.4 47 49 A R + 0 0 11 94,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.602 20.4 174.3 -77.5 141.5 45.5 20.4 2.8 48 50 A T + 0 0 106 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.367 68.7 37.7-124.3 -8.2 48.3 22.2 0.8 49 51 A A S > S- 0 0 23 1,-0.1 3,-1.5 91,-0.1 -1,-0.3 -0.988 79.7-120.6-144.3 152.8 48.1 25.5 2.6 50 52 A A T 3 S+ 0 0 25 -2,-0.3 87,-0.9 1,-0.3 89,-0.1 0.858 110.9 62.3 -60.8 -37.3 47.6 26.5 6.2 51 53 A W T 3 S+ 0 0 143 85,-0.1 -1,-0.3 87,-0.1 2,-0.1 0.696 84.9 99.8 -65.2 -16.6 44.5 28.6 5.3 52 54 A N < + 0 0 0 -3,-1.5 85,-0.5 1,-0.1 2,-0.2 -0.395 49.5 104.5 -69.9 148.4 42.9 25.4 4.1 53 55 A G E -F 23 0B 0 -30,-1.1 -30,-2.5 83,-0.1 2,-0.4 -0.827 65.2 -44.4 179.4-141.9 40.4 23.7 6.4 54 56 A A E -FG 22 135B 0 81,-2.4 81,-3.5 -32,-0.2 2,-0.3 -0.962 46.6-179.7-126.4 141.9 36.7 23.1 7.2 55 57 A Q E -FG 21 134B 29 -34,-2.7 -34,-2.8 -2,-0.4 2,-0.3 -0.947 14.5-162.5-141.8 160.6 33.9 25.6 7.0 56 58 A R E -FG 20 133B 37 77,-2.1 77,-2.7 -2,-0.3 -36,-0.1 -0.949 25.8-121.2-148.8 121.6 30.1 25.9 7.5 57 59 A A E - G 0 132B 43 -38,-0.5 2,-0.5 -2,-0.3 75,-0.3 -0.227 22.5-141.1 -60.1 145.6 27.8 28.6 6.3 58 60 A L - 0 0 7 73,-2.3 73,-0.4 5,-0.1 72,-0.1 -0.963 15.4-124.8-112.0 127.8 25.8 30.5 8.9 59 61 A N >> - 0 0 71 -2,-0.5 4,-3.2 1,-0.1 3,-0.7 -0.569 10.8-144.4 -71.0 125.4 22.2 31.5 8.2 60 62 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.712 99.4 60.0 -64.0 -21.3 21.7 35.3 8.6 61 63 A R T 34 S+ 0 0 207 1,-0.1 3,-0.2 3,-0.1 -2,-0.0 0.860 116.1 32.1 -71.6 -37.8 18.2 34.6 10.0 62 64 A T T <4 S+ 0 0 33 -3,-0.7 2,-1.0 1,-0.2 -1,-0.1 0.925 123.4 44.1 -84.1 -51.9 19.6 32.6 12.8 63 65 A F S < S- 0 0 4 -4,-3.2 -1,-0.2 68,-0.0 68,-0.1 -0.770 82.5-159.3 -99.7 89.9 23.0 34.3 13.4 64 66 A V > - 0 0 60 -2,-1.0 3,-1.8 -3,-0.2 60,-0.3 -0.567 20.4-118.2 -75.8 118.3 22.1 38.0 13.3 65 67 A P T 3 S+ 0 0 35 0, 0.0 61,-0.3 0, 0.0 3,-0.1 -0.260 100.4 35.9 -51.6 140.0 25.0 40.3 12.5 66 68 A G T 3 S+ 0 0 17 58,-3.0 2,-0.2 1,-0.4 60,-0.2 0.252 102.1 100.6 94.9 -10.8 25.7 42.7 15.4 67 69 A N S < S- 0 0 77 -3,-1.8 57,-2.7 58,-0.2 -1,-0.4 -0.657 72.0-113.7-107.9 166.0 24.7 40.1 18.0 68 70 A T E +D 123 0A 24 55,-0.2 86,-0.7 -2,-0.2 2,-0.3 -0.726 35.3 171.1-100.7 143.9 26.7 37.8 20.2 69 71 A Y E -DE 122 153A 15 53,-2.5 53,-2.7 -2,-0.3 2,-0.5 -0.940 31.3-113.9-145.5 164.4 26.7 34.0 20.0 70 72 A C E - E 0 152A 0 82,-3.0 82,-3.1 -2,-0.3 2,-0.4 -0.891 30.0-177.8-104.6 133.2 28.4 30.9 21.4 71 73 A F E +DE 119 151A 0 48,-2.1 48,-2.1 -2,-0.5 2,-0.3 -0.985 6.1 168.6-131.3 142.8 30.6 28.8 19.1 72 74 A S E +DE 118 150A 3 78,-2.3 78,-3.4 -2,-0.4 2,-0.3 -0.995 7.6 158.2-155.3 143.4 32.4 25.6 20.1 73 75 A V E -D 117 0A 1 44,-2.2 44,-2.4 -2,-0.3 2,-0.4 -0.955 28.5-133.8-160.9 151.2 34.2 22.8 18.4 74 76 A V E -DE 116 147A 6 73,-2.3 73,-1.9 -2,-0.3 2,-0.3 -0.917 27.3-175.8-112.4 143.8 36.8 20.3 19.6 75 77 A A E +DE 115 146A 0 40,-2.2 40,-2.2 -2,-0.4 2,-0.3 -0.946 12.4 157.8-140.1 154.7 39.8 19.5 17.5 76 78 A S E - E 0 145A 2 69,-1.7 69,-2.8 -2,-0.3 2,-0.3 -0.947 18.6-150.0-160.9 170.8 42.8 17.2 17.4 77 79 A F - 0 0 0 33,-0.3 35,-2.6 -2,-0.3 36,-0.4 -0.918 6.6-154.1-142.5 168.2 45.4 15.7 15.0 78 80 A I - 0 0 23 65,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.728 68.1 -9.1-115.9 -36.2 47.4 12.5 15.0 79 81 A E S S+ 0 0 121 64,-0.3 -1,-0.4 32,-0.1 64,-0.4 -0.969 84.0 80.6-157.3 171.0 50.5 13.1 13.0 80 82 A G S S+ 0 0 67 -2,-0.3 2,-0.3 62,-0.1 61,-0.1 0.056 97.5 28.8 115.0 -23.7 52.4 15.5 10.8 81 83 A A S S- 0 0 36 1,-0.1 3,-0.1 59,-0.1 -1,-0.1 -0.980 71.8-119.3-159.4 163.4 53.8 17.8 13.5 82 84 A S S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.718 98.0 -11.6 -81.4 -23.1 54.9 18.0 17.1 83 85 A S - 0 0 59 27,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.976 64.3-162.3-164.5 166.2 52.2 20.6 17.8 84 86 A T E -H 109 0B 4 25,-2.1 25,-2.1 -2,-0.3 2,-0.5 -0.955 19.6-126.8-148.8 166.7 49.7 22.9 16.0 85 87 A T E -H 108 0B 42 -2,-0.3 53,-2.3 23,-0.2 23,-0.2 -0.938 23.8-154.7-121.8 109.1 47.6 25.9 16.5 86 88 A F E -HI 107 137B 0 21,-2.6 21,-1.8 -2,-0.5 2,-0.4 -0.569 7.9-162.7 -80.2 139.9 43.9 25.5 15.6 87 89 A C E -HI 106 136B 5 49,-3.1 49,-2.2 -2,-0.2 2,-0.5 -0.992 9.8-165.9-125.1 126.8 42.0 28.6 14.7 88 90 A M E +HI 105 135B 2 17,-2.8 16,-2.7 -2,-0.4 17,-1.8 -0.957 28.8 169.7-104.1 127.9 38.2 28.9 14.6 89 91 A K E -HI 103 134B 48 45,-3.2 45,-3.0 -2,-0.5 2,-0.6 -0.929 39.8-117.2-138.2 161.8 37.3 32.0 12.7 90 92 A L E -HI 102 133B 0 12,-3.6 12,-2.6 -2,-0.3 2,-0.5 -0.898 26.4-165.1 -97.4 118.7 34.4 33.9 11.2 91 93 A Q E +HI 101 132B 15 41,-3.3 41,-3.1 -2,-0.6 2,-0.3 -0.911 29.4 145.7 -97.3 132.2 34.9 34.3 7.5 92 94 A Y E -H 100 0B 28 8,-2.6 8,-3.1 -2,-0.5 2,-0.5 -0.952 49.5-104.9-155.3 173.9 32.5 36.9 6.2 93 95 A V E -HI 99 129B 32 36,-3.2 36,-2.1 -2,-0.3 6,-0.2 -0.942 37.3-144.3-107.5 131.7 31.9 39.7 3.7 94 96 A D > - 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