==== 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 1H6Y . 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, . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 60.5 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 . 129 41.1 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 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 . 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 3 5 2 0 6 0 0 2 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 2 2 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 4 A P 0 0 120 0, 0.0 6,-0.2 0, 0.0 150,-0.1 0.000 360.0 360.0 360.0 87.4 58.7 13.1 102.7 2 5 A D > - 0 0 78 4,-2.1 3,-2.7 1,-0.1 6,-0.0 0.152 360.0 -79.0 -60.8 177.8 57.0 9.7 103.1 3 6 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.669 132.0 47.1 -52.9 -20.9 53.7 8.5 101.6 4 7 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 151,-0.0 -2,-0.1 0.387 120.7-102.7-105.8 4.7 51.8 10.4 104.3 5 8 A G S < S+ 0 0 16 -3,-2.7 147,-2.4 1,-0.3 2,-0.3 0.662 75.6 139.3 85.4 18.5 53.7 13.7 104.0 6 9 A Y E -A 151 0A 37 145,-0.2 -4,-2.1 1,-0.1 -1,-0.3 -0.706 37.6-172.1 -94.6 145.6 55.7 13.1 107.1 7 10 A Y E S+ 0 0 79 143,-3.7 2,-0.3 1,-0.5 144,-0.2 0.649 83.1 10.0-102.1 -32.4 59.4 14.0 107.4 8 11 A Y E -A 150 0A 18 142,-1.6 142,-1.5 -6,-0.0 -1,-0.5 -0.985 61.7-177.2-142.8 151.6 59.7 12.3 110.8 9 12 A H E -A 149 0A 74 -2,-0.3 2,-0.7 140,-0.2 140,-0.2 -0.775 7.2-166.9-151.7 99.3 57.4 10.1 112.8 10 13 A D E +A 148 0A 21 138,-2.9 138,-1.6 -2,-0.3 137,-0.4 -0.825 18.4 165.8 -98.3 112.8 58.4 8.9 116.2 11 14 A T - 0 0 50 -2,-0.7 28,-0.3 136,-0.2 25,-0.2 0.550 40.4-139.4 -90.6 -16.7 56.2 6.1 117.6 12 15 A F + 0 0 1 3,-0.4 2,-1.8 1,-0.2 18,-0.1 0.609 53.1 145.1 59.4 18.6 58.8 5.5 120.3 13 16 A E S S- 0 0 72 1,-0.2 -1,-0.2 26,-0.1 -2,-0.1 -0.576 89.0 -24.1 -83.0 76.7 58.2 1.7 119.8 14 17 A G S S+ 0 0 57 -2,-1.8 2,-0.3 -3,-0.1 -1,-0.2 0.334 130.2 66.2 100.0 -7.9 61.8 0.7 120.4 15 18 A S - 0 0 71 1,-0.1 -3,-0.4 3,-0.0 3,-0.1 -0.959 56.5-153.2-153.9 136.0 63.6 3.9 119.6 16 19 A V > - 0 0 50 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.480 38.4-161.2 -77.7 -5.1 64.0 7.5 120.9 17 20 A G T 3 - 0 0 25 1,-0.3 -1,-0.2 -8,-0.0 -7,-0.0 -0.310 62.9 -27.4 57.7-132.7 64.8 8.7 117.3 18 21 A Q T 3 S+ 0 0 131 -3,-0.1 38,-0.5 38,-0.1 -1,-0.3 0.330 102.5 128.2 -98.2 11.3 66.5 12.1 117.4 19 22 A W < + 0 0 7 -3,-2.0 2,-0.3 36,-0.1 36,-0.2 -0.458 30.1 166.9 -72.6 130.8 64.9 13.1 120.7 20 23 A T E -F 54 0B 66 34,-2.7 34,-3.1 -2,-0.2 2,-0.2 -0.863 39.0 -82.3-133.1 174.1 67.1 14.4 123.5 21 24 A A E -F 53 0B 29 -2,-0.3 2,-0.6 32,-0.2 32,-0.3 -0.537 29.7-146.2 -80.1 140.9 66.8 16.2 126.8 22 25 A R E S-F 52 0B 15 30,-2.7 30,-2.0 -2,-0.2 3,-0.4 -0.956 74.2 -9.8-107.7 117.4 66.5 20.0 126.9 23 26 A G S S- 0 0 35 -2,-0.6 23,-0.0 28,-0.2 -2,-0.0 -0.326 123.1 -36.5 84.0-169.8 68.3 21.2 130.0 24 27 A P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.271 106.2 113.0 -73.5 12.1 69.5 18.9 132.8 25 28 A A - 0 0 12 -3,-0.4 2,-0.4 27,-0.1 20,-0.2 -0.042 60.7-129.4 -73.3-176.5 66.5 16.6 132.3 26 29 A E E -B 44 0A 73 18,-2.6 18,-2.5 -6,-0.1 2,-0.4 -0.998 12.9-160.1-138.1 141.6 66.5 13.0 131.0 27 30 A V E +B 43 0A 28 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.953 21.3 152.0-121.5 143.0 64.5 11.3 128.3 28 31 A L E -B 42 0A 53 14,-1.8 14,-3.1 -2,-0.4 2,-0.1 -0.980 46.6 -86.0-163.0 158.6 63.9 7.6 127.9 29 32 A L E -B 41 0A 50 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.392 44.6-170.2 -68.5 144.9 61.5 5.0 126.5 30 33 A S E -B 40 0A 17 10,-2.5 10,-2.1 -18,-0.1 3,-0.2 -0.999 28.8-167.0-143.4 141.4 58.7 4.0 128.8 31 34 A G S S+ 0 0 58 -2,-0.3 3,-0.1 8,-0.2 -1,-0.1 0.226 71.6 95.7-105.2 10.5 56.0 1.3 128.8 32 35 A R S S- 0 0 143 1,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.864 100.6 -3.2 -70.0 -37.1 54.1 2.8 131.6 33 36 A T + 0 0 34 -3,-0.2 2,-0.3 5,-0.1 -1,-0.2 -0.976 68.2 177.6-150.4 157.6 51.7 4.7 129.3 34 37 A A - 0 0 28 -2,-0.3 6,-0.2 1,-0.1 3,-0.1 -0.983 29.8-150.2-161.5 153.1 51.3 5.2 125.6 35 38 A Y S S+ 0 0 111 1,-0.4 2,-0.3 4,-0.4 -1,-0.1 0.849 93.8 6.4 -94.0 -43.8 49.1 6.8 123.1 36 39 A K S > S+ 0 0 116 3,-0.4 3,-0.5 -25,-0.2 -1,-0.4 -0.974 125.1 3.8-134.1 149.0 49.8 4.3 120.3 37 40 A G T 3 S- 0 0 64 -2,-0.3 -3,-0.1 1,-0.2 -25,-0.0 -0.409 105.4 -65.9 74.3-154.7 51.8 1.0 120.6 38 41 A S T 3 S+ 0 0 82 -2,-0.1 2,-0.3 -5,-0.0 -1,-0.2 0.348 108.3 57.3-115.9 4.4 53.1 0.1 124.0 39 42 A E < + 0 0 48 -3,-0.5 -3,-0.4 -28,-0.3 -4,-0.4 -0.921 46.4 174.4-136.8 162.1 55.6 2.9 124.5 40 43 A S E -B 30 0A 0 -10,-2.1 -10,-2.5 -2,-0.3 2,-0.6 -0.869 42.9 -87.8-147.4 179.2 56.1 6.6 124.7 41 44 A L E -BC 29 145A 0 104,-3.0 104,-2.4 -2,-0.3 2,-0.3 -0.876 38.1-151.7 -99.9 118.5 58.9 9.0 125.6 42 45 A L E -BC 28 144A 18 -14,-3.1 -14,-1.8 -2,-0.6 2,-0.5 -0.710 4.6-160.3 -90.0 140.2 59.2 9.8 129.3 43 46 A V E +BC 27 143A 0 100,-3.0 100,-2.1 -2,-0.3 2,-0.2 -0.984 27.3 147.0-122.2 120.2 60.7 13.2 130.4 44 47 A R E +B 26 0A 87 -18,-2.5 -18,-2.6 -2,-0.5 97,-0.1 -0.785 37.0 58.0-141.9-176.5 62.0 13.4 133.9 45 48 A N + 0 0 93 -2,-0.2 2,-0.2 -20,-0.2 -1,-0.1 0.680 65.8 162.5 61.0 21.2 64.5 15.0 136.2 46 49 A R - 0 0 10 94,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.512 22.4-179.4 -69.3 136.7 63.3 18.5 135.2 47 50 A T S S+ 0 0 110 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.373 70.4 28.2-116.7 2.6 64.4 21.3 137.6 48 51 A A S > S- 0 0 28 91,-0.1 3,-1.7 92,-0.0 -1,-0.2 -0.973 83.6-111.0-155.0 154.2 62.8 24.2 135.7 49 52 A A T 3 S+ 0 0 20 -2,-0.3 87,-1.1 1,-0.3 89,-0.1 0.773 113.7 63.9 -58.0 -29.5 59.7 24.5 133.5 50 53 A W T 3 S+ 0 0 142 85,-0.1 -1,-0.3 87,-0.1 90,-0.1 0.743 82.7 98.3 -71.3 -19.4 61.9 25.2 130.4 51 54 A N < + 0 0 0 -3,-1.7 85,-0.5 1,-0.1 2,-0.3 -0.381 51.5 104.0 -62.9 147.8 63.4 21.7 130.7 52 55 A G E -F 22 0B 0 -30,-2.0 -30,-2.7 83,-0.1 2,-0.4 -0.860 67.2 -41.3 178.6-143.5 62.0 19.1 128.4 53 56 A A E -FG 21 134B 0 81,-2.2 81,-2.8 -32,-0.3 2,-0.3 -0.957 49.9-177.6-120.3 138.2 62.5 17.1 125.3 54 57 A Q E -FG 20 133B 29 -34,-3.1 -34,-2.7 -2,-0.4 2,-0.4 -0.923 16.5-160.0-134.0 159.9 63.9 18.5 122.0 55 58 A R E - G 0 132B 38 77,-2.6 77,-2.6 -2,-0.3 -36,-0.1 -0.955 24.8-125.0-142.1 119.3 64.7 17.4 118.5 56 59 A A E - G 0 131B 48 -38,-0.5 2,-0.5 -2,-0.4 75,-0.3 -0.334 24.0-138.8 -58.1 137.0 67.1 19.2 116.1 57 60 A L - 0 0 8 73,-2.2 73,-0.5 5,-0.0 72,-0.1 -0.906 10.5-129.9-104.4 129.0 65.6 20.3 112.8 58 61 A N >> - 0 0 75 -2,-0.5 4,-2.8 1,-0.1 3,-1.3 -0.654 10.6-148.3 -75.7 120.1 67.7 19.8 109.6 59 62 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 68,-0.0 0.731 93.4 65.6 -64.6 -23.2 67.6 23.1 107.7 60 63 A R T 34 S+ 0 0 225 1,-0.1 3,-0.2 3,-0.1 -2,-0.0 0.745 116.5 27.1 -70.2 -25.1 67.8 21.3 104.3 61 64 A T T <4 S+ 0 0 54 -3,-1.3 2,-1.1 1,-0.2 -1,-0.1 0.805 124.8 46.5-103.0 -42.4 64.4 19.8 104.9 62 65 A F S < S- 0 0 6 -4,-2.8 -1,-0.2 6,-0.0 6,-0.1 -0.766 84.9-163.0-101.8 85.2 62.8 22.4 107.2 63 66 A V > - 0 0 57 -2,-1.1 3,-2.4 -3,-0.2 60,-0.3 -0.576 21.8-114.4 -76.2 123.7 63.7 25.5 105.2 64 67 A P T 3 S+ 0 0 35 0, 0.0 61,-0.3 0, 0.0 3,-0.1 -0.240 105.2 32.1 -53.9 146.4 63.5 28.8 107.2 65 68 A G T 3 S+ 0 0 20 58,-2.0 2,-0.2 1,-0.3 60,-0.2 0.103 102.2 109.2 87.0 -20.6 60.7 31.0 105.7 66 69 A N < - 0 0 80 -3,-2.4 57,-2.5 58,-0.1 2,-0.4 -0.539 67.8-123.0 -88.9 159.3 58.8 27.8 104.8 67 70 A T E +D 122 0A 53 55,-0.2 86,-0.8 -2,-0.2 2,-0.3 -0.791 34.8 166.5-103.1 139.1 55.6 26.5 106.3 68 71 A Y E -DE 121 152A 12 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.896 33.3-109.7-143.8 170.1 55.3 23.0 107.9 69 72 A C E - E 0 151A 0 82,-3.7 82,-3.3 -2,-0.3 2,-0.4 -0.900 28.0-172.0-107.5 135.0 53.1 20.8 110.0 70 73 A F E +DE 118 150A 0 48,-2.4 48,-2.2 -2,-0.4 2,-0.3 -0.982 8.4 171.2-127.4 142.6 54.1 19.8 113.6 71 74 A S E +DE 117 149A 3 78,-2.4 78,-3.6 -2,-0.4 2,-0.3 -0.999 8.3 149.1-152.5 142.4 52.3 17.3 115.8 72 75 A V E -D 116 0A 2 44,-2.1 44,-1.8 -2,-0.3 2,-0.4 -0.965 28.7-138.0-163.3 157.7 52.7 15.5 119.1 73 76 A V E -DE 115 146A 6 73,-1.9 73,-2.1 -2,-0.3 2,-0.3 -0.966 25.4-178.0-122.2 145.3 50.5 14.2 121.9 74 77 A A E +DE 114 145A 0 40,-2.1 40,-2.5 -2,-0.4 2,-0.3 -0.959 9.8 164.8-142.4 159.7 51.4 14.5 125.5 75 78 A S E - E 0 144A 3 69,-1.9 69,-3.2 -2,-0.3 2,-0.3 -0.971 16.7-151.7-161.2 165.8 50.2 13.6 129.0 76 79 A F - 0 0 0 33,-0.4 35,-2.7 -2,-0.3 36,-0.4 -0.943 4.2-160.8-138.9 162.4 51.3 13.4 132.6 77 80 A I + 0 0 33 1,-0.3 2,-0.3 65,-0.3 -1,-0.1 0.715 68.6 4.2-113.7 -37.6 50.1 11.1 135.4 78 81 A E S S+ 0 0 85 64,-0.3 -1,-0.3 1,-0.1 64,-0.3 -0.940 86.1 68.6-147.4 168.1 51.2 12.8 138.6 79 82 A G S S+ 0 0 70 -2,-0.3 2,-0.3 62,-0.1 61,-0.2 0.241 97.7 32.1 110.1 -12.9 52.8 15.9 140.2 80 83 A A S S- 0 0 36 1,-0.1 3,-0.1 59,-0.1 -1,-0.1 -0.970 71.0-121.5-162.5 165.8 50.2 18.6 139.5 81 84 A S S S- 0 0 106 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.650 96.5 -13.6 -91.0 -17.8 46.4 19.0 139.1 82 85 A S - 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