==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 03-FEB-00 1DYO . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR G.J.DAVIES,S.J.CHARNOCK,H.J.GILBERT,C.M.G.A.FONTES . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 60.6 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 41.3 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 . 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 . 32 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.4 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 4 3 3 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 5 A P 0 0 118 0, 0.0 4,-0.2 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0-145.2 59.0 13.0 102.1 2 6 A D + 0 0 136 2,-0.1 4,-0.1 5,-0.0 148,-0.0 -0.071 360.0 1.1 177.0-104.9 56.1 10.3 102.2 3 7 A A S S- 0 0 79 2,-0.1 3,-0.1 0, 0.0 147,-0.0 -0.486 132.4 -69.5-118.1 15.7 52.3 10.0 103.0 4 8 A G S S+ 0 0 17 1,-0.3 147,-1.7 146,-0.1 2,-0.4 0.501 108.1 129.8 101.9 6.9 53.5 13.5 103.4 5 9 A Y E -A 150 0A 50 145,-0.2 145,-0.3 1,-0.2 -1,-0.3 -0.803 37.2-174.1 -91.2 139.9 55.7 12.9 106.5 6 10 A Y E S+ 0 0 78 143,-3.9 2,-0.3 1,-0.4 144,-0.2 0.687 86.0 5.4 -90.8 -32.7 59.3 14.2 106.7 7 11 A Y E -A 149 0A 15 142,-1.8 142,-1.4 2,-0.0 -1,-0.4 -0.977 63.5-174.5-145.0 149.8 59.7 12.4 110.0 8 12 A H E -A 148 0A 82 -2,-0.3 2,-0.9 140,-0.2 140,-0.2 -0.692 7.9-164.4-153.3 92.0 57.3 10.2 112.0 9 13 A D E +A 147 0A 20 138,-3.4 138,-1.9 -2,-0.2 137,-0.5 -0.717 18.1 166.3 -90.4 112.8 58.4 9.1 115.5 10 14 A T - 0 0 51 -2,-0.9 28,-0.2 136,-0.2 25,-0.2 0.707 39.1-136.8 -90.2 -35.6 56.3 6.2 116.7 11 15 A F + 0 0 2 3,-0.5 2,-1.5 1,-0.1 3,-0.3 0.445 51.1 144.7 78.9 16.9 58.7 5.4 119.7 12 16 A E S S- 0 0 88 1,-0.2 -1,-0.1 26,-0.1 3,-0.1 -0.497 87.3 -27.3 -80.4 77.0 58.6 1.6 119.2 13 17 A G S S+ 0 0 63 -2,-1.5 -1,-0.2 -3,-0.1 2,-0.2 0.654 130.8 69.4 88.9 16.8 62.1 0.5 120.1 14 18 A S - 0 0 68 -3,-0.3 -3,-0.5 1,-0.1 -2,-0.1 -0.824 60.0-153.2-174.3 134.4 63.7 3.8 119.2 15 19 A V > - 0 0 46 -2,-0.2 3,-1.8 1,-0.2 -1,-0.1 0.483 37.3-157.3 -76.1 -16.6 63.9 7.5 120.2 16 20 A G T 3 - 0 0 25 1,-0.3 -1,-0.2 -8,-0.0 -7,-0.0 -0.324 65.3 -28.2 68.1-138.8 64.6 8.7 116.7 17 21 A Q T 3 S+ 0 0 128 38,-0.1 38,-0.5 2,-0.0 -1,-0.3 0.389 103.9 130.1 -92.7 11.4 66.3 12.1 116.7 18 22 A W < + 0 0 6 -3,-1.8 2,-0.3 36,-0.1 36,-0.2 -0.343 28.1 164.8 -70.3 132.3 64.7 13.0 120.0 19 23 A T E -F 53 0B 65 34,-3.1 34,-3.4 -2,-0.1 2,-0.2 -0.879 40.2 -85.5-137.2 172.1 66.9 14.3 122.8 20 24 A A E -F 52 0B 28 -2,-0.3 2,-0.5 32,-0.2 32,-0.3 -0.571 29.7-143.6 -78.0 146.1 66.5 16.1 126.1 21 25 A R E > S-F 51 0B 8 30,-2.6 30,-2.0 -2,-0.2 3,-0.5 -0.935 75.0 -7.6-112.5 117.6 66.2 19.9 126.2 22 26 A G T 3 S- 0 0 35 -2,-0.5 -2,-0.1 28,-0.2 23,-0.0 -0.342 123.0 -39.5 85.0-167.0 68.0 21.2 129.3 23 27 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.299 106.4 112.5 -80.6 7.1 69.3 18.8 132.0 24 28 A A < - 0 0 12 -3,-0.5 2,-0.3 27,-0.1 20,-0.2 0.030 61.5-126.6 -61.9-171.5 66.2 16.6 131.7 25 29 A E E -B 43 0A 73 18,-2.9 18,-2.8 -6,-0.1 2,-0.4 -0.994 14.0-161.0-145.9 143.4 66.2 13.1 130.3 26 30 A V E +B 42 0A 26 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.951 21.2 153.0-126.0 141.3 64.2 11.3 127.6 27 31 A L E -B 41 0A 48 14,-2.0 14,-3.5 -2,-0.4 2,-0.1 -0.967 46.8 -86.6-162.0 159.6 63.7 7.6 127.2 28 32 A L E -B 40 0A 53 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.400 44.7-170.8 -70.5 143.3 61.3 5.0 125.8 29 33 A S E -B 39 0A 18 10,-2.6 10,-2.9 3,-0.2 3,-0.2 -0.999 27.7-168.3-140.1 146.2 58.5 4.0 128.1 30 34 A G S S+ 0 0 55 -2,-0.3 3,-0.1 8,-0.2 -1,-0.1 0.258 71.2 95.3-112.9 9.1 55.9 1.3 128.0 31 35 A R S S- 0 0 140 1,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.828 102.1 -3.6 -66.6 -32.0 53.9 2.6 130.9 32 36 A T + 0 0 34 -3,-0.2 2,-0.3 5,-0.1 -1,-0.2 -0.982 66.8 175.7-154.5 161.4 51.6 4.5 128.5 33 37 A A - 0 0 26 -2,-0.3 6,-0.1 1,-0.1 3,-0.1 -0.958 29.6-147.9-166.6 151.5 51.3 5.1 124.7 34 38 A Y S S+ 0 0 117 4,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.792 94.0 10.4 -93.3 -37.8 49.0 6.8 122.3 35 39 A K S S- 0 0 115 3,-0.3 3,-0.3 -25,-0.2 -1,-0.3 -0.879 124.6 -1.3-135.5 153.2 49.7 4.3 119.5 36 40 A G S S- 0 0 62 -2,-0.3 -25,-0.0 1,-0.2 -3,-0.0 -0.151 104.7 -64.4 61.4-150.7 51.7 0.9 119.6 37 41 A S S S+ 0 0 83 -5,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.486 107.2 55.6-117.5 1.8 53.1 0.0 123.0 38 42 A E + 0 0 40 -3,-0.3 -3,-0.3 -28,-0.2 -4,-0.3 -0.896 48.9 179.9-125.4 168.5 55.7 2.7 123.8 39 43 A S E -B 29 0A 0 -10,-2.9 -10,-2.6 -2,-0.3 2,-0.7 -0.825 40.3 -91.1-152.0 176.9 56.1 6.5 124.1 40 44 A L E -BC 28 144A 0 104,-3.0 104,-2.5 -2,-0.3 2,-0.4 -0.904 37.9-153.1 -95.6 119.3 58.8 8.9 124.8 41 45 A L E -BC 27 143A 20 -14,-3.5 -14,-2.0 -2,-0.7 2,-0.5 -0.761 4.9-161.7 -88.2 141.9 59.0 9.7 128.6 42 46 A V E +BC 26 142A 0 100,-3.0 100,-2.0 -2,-0.4 2,-0.2 -0.990 27.7 144.3-124.2 117.9 60.5 13.1 129.5 43 47 A R E +B 25 0A 85 -18,-2.8 -18,-2.9 -2,-0.5 97,-0.1 -0.763 36.2 63.3-142.6-172.6 61.6 13.4 133.2 44 48 A N + 0 0 93 -20,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.676 64.8 160.7 60.7 20.8 64.3 15.0 135.4 45 49 A R + 0 0 11 94,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.588 21.8 177.6 -69.7 137.4 63.0 18.5 134.4 46 50 A T S S+ 0 0 112 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.276 71.6 31.5-120.0 7.5 64.1 21.3 136.9 47 51 A A S > S- 0 0 22 91,-0.1 3,-1.7 1,-0.0 -1,-0.2 -0.979 83.6-114.7-157.1 148.3 62.5 24.1 134.9 48 52 A A T 3 S+ 0 0 20 -2,-0.3 87,-1.0 1,-0.3 89,-0.1 0.827 112.7 63.5 -57.1 -30.9 59.4 24.4 132.7 49 53 A W T 3 S+ 0 0 31 85,-0.1 -1,-0.3 87,-0.1 202,-0.1 0.696 83.7 97.3 -69.7 -15.8 61.6 25.1 129.6 50 54 A N < + 0 0 0 -3,-1.7 85,-0.4 1,-0.1 2,-0.3 -0.392 53.0 101.3 -69.9 152.5 63.2 21.7 130.0 51 55 A G E -F 21 0B 0 -30,-2.0 -30,-2.6 83,-0.1 2,-0.4 -0.895 67.0 -33.5 175.4-145.2 61.7 19.0 127.7 52 56 A A E +FG 20 133B 0 81,-2.0 81,-3.1 -2,-0.3 2,-0.3 -0.912 51.5 179.1-115.5 138.7 62.1 17.0 124.6 53 57 A Q E -FG 19 132B 27 -34,-3.4 -34,-3.1 -2,-0.4 2,-0.3 -0.968 18.5-164.7-137.5 158.7 63.7 18.3 121.3 54 58 A R E - G 0 131B 40 77,-2.3 77,-2.2 -2,-0.3 -36,-0.1 -0.963 27.4-122.3-139.0 125.6 64.7 17.3 117.8 55 59 A A E - G 0 130B 53 -38,-0.5 2,-0.5 -2,-0.3 75,-0.3 -0.262 25.4-140.2 -61.9 140.4 67.1 19.2 115.5 56 60 A L E - G 0 129B 7 73,-2.4 73,-0.5 5,-0.0 -1,-0.1 -0.946 10.6-130.4-107.6 129.3 65.5 20.2 112.1 57 61 A N >> - 0 0 69 -2,-0.5 4,-3.6 1,-0.2 3,-1.2 -0.561 7.1-148.4 -78.7 117.4 67.5 19.9 108.9 58 62 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 68,-0.0 0.696 96.1 66.0 -60.3 -19.5 67.4 23.2 106.9 59 63 A R T 34 S+ 0 0 213 1,-0.1 3,-0.2 3,-0.1 -2,-0.0 0.864 117.2 25.0 -70.6 -32.8 67.7 21.1 103.7 60 64 A T T <4 S+ 0 0 52 -3,-1.2 2,-1.1 1,-0.2 -1,-0.1 0.831 125.8 46.6-100.2 -38.4 64.3 19.7 104.5 61 65 A F S < S- 0 0 5 -4,-3.6 -1,-0.2 -55,-0.0 6,-0.1 -0.760 82.7-160.3-105.7 84.8 62.7 22.3 106.7 62 66 A V > - 0 0 57 -2,-1.1 3,-1.7 -3,-0.2 60,-0.3 -0.517 20.1-118.0 -67.0 132.6 63.5 25.4 104.7 63 67 A P T 3 S+ 0 0 35 0, 0.0 61,-0.3 0, 0.0 3,-0.1 -0.397 104.6 33.2 -62.1 152.9 63.2 28.7 106.7 64 68 A G T 3 S+ 0 0 20 58,-3.0 2,-0.2 1,-0.3 60,-0.2 0.024 101.5 109.3 82.1 -24.0 60.6 30.9 105.3 65 69 A N < - 0 0 82 -3,-1.7 57,-2.8 58,-0.2 -1,-0.3 -0.578 67.9-128.3 -87.2 158.2 58.7 27.8 104.3 66 70 A T E +D 121 0A 47 55,-0.3 86,-0.7 -2,-0.2 2,-0.3 -0.680 33.7 169.9-103.0 137.9 55.4 26.6 106.0 67 71 A Y E -DE 120 151A 10 53,-2.4 53,-3.5 -2,-0.3 2,-0.4 -0.909 33.3-107.2-141.3 170.1 55.2 23.0 107.3 68 72 A C E - E 0 150A 0 82,-3.5 82,-3.2 -2,-0.3 2,-0.4 -0.929 30.4-173.2-107.6 137.4 52.9 20.8 109.4 69 73 A F E +DE 117 149A 0 48,-2.4 48,-2.8 -2,-0.4 2,-0.3 -0.977 7.7 173.5-131.2 140.1 54.0 19.7 112.9 70 74 A S E +DE 116 148A 3 78,-2.6 78,-3.2 -2,-0.4 2,-0.3 -0.999 9.1 151.5-149.9 146.1 52.2 17.2 115.1 71 75 A V E -D 115 0A 0 44,-2.4 44,-3.3 -2,-0.3 2,-0.4 -0.966 29.1-137.4-166.6 155.6 52.5 15.4 118.4 72 76 A V E -DE 114 145A 6 73,-2.1 73,-2.3 -2,-0.3 2,-0.3 -0.911 28.3-177.7-118.0 139.6 50.3 13.9 121.1 73 77 A A E +DE 113 144A 0 40,-2.3 40,-3.2 -2,-0.4 2,-0.3 -0.971 8.7 164.1-139.3 158.7 51.3 14.4 124.7 74 78 A S E - E 0 143A 3 69,-2.0 69,-3.1 -2,-0.3 2,-0.3 -0.968 16.7-154.4-159.2 168.4 50.1 13.4 128.1 75 79 A F - 0 0 0 33,-0.3 35,-2.7 -2,-0.3 36,-0.5 -0.953 5.9-160.5-143.0 162.8 51.1 13.2 131.8 76 80 A I - 0 0 33 65,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.718 68.4 -0.9-114.9 -35.7 49.9 11.0 134.7 77 81 A E S S+ 0 0 79 64,-0.3 -1,-0.3 1,-0.1 64,-0.3 -0.912 85.6 71.7-146.7 176.4 50.9 12.8 137.8 78 82 A G S S+ 0 0 72 -2,-0.3 2,-0.3 62,-0.1 61,-0.1 0.117 98.6 35.6 104.1 -15.2 52.6 15.8 139.4 79 83 A A S S- 0 0 30 59,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.953 72.7-124.3-154.8 165.2 50.0 18.5 138.6 80 84 A S S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.614 95.5 -13.7 -93.7 -15.6 46.2 18.8 138.3 81 85 A S - 0 0 70 27,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.952 67.1-162.8-168.5 163.0 46.6 20.2 134.8 82 86 A T E -H 107 0B 5 25,-2.4 25,-2.4 -2,-0.3 2,-0.6 -0.978 22.2-121.5-145.8 171.6 49.3 21.5 132.5 83 87 A T E -H 106 0B 36 -2,-0.3 53,-2.4 23,-0.2 2,-0.3 -0.958 24.9-155.8-121.4 107.4 49.8 23.5 129.3 84 88 A F E -HI 105 135B 0 21,-2.9 21,-2.4 -2,-0.6 2,-0.4 -0.676 10.7-167.4 -75.2 135.7 51.8 21.5 126.7 85 89 A C E -HI 104 134B 6 49,-2.7 49,-2.4 -2,-0.3 2,-0.5 -0.994 10.5-158.3-128.4 130.6 53.6 23.8 124.2 86 90 A X E +HI 103 133B 0 17,-3.7 16,-1.9 -2,-0.4 17,-1.8 -0.966 32.6 175.4-103.3 130.9 55.1 22.5 121.0 87 91 A K E -HI 101 132B 32 45,-4.3 45,-3.5 -2,-0.5 2,-0.5 -0.867 37.6-124.8-142.7 170.2 57.7 24.9 119.8 88 92 A L E -HI 100 131B 0 12,-3.0 12,-2.6 -2,-0.3 2,-0.4 -0.960 21.2-167.2-110.6 120.1 60.5 26.1 117.5 89 93 A Q E +HI 99 130B 18 41,-4.3 41,-2.5 -2,-0.5 2,-0.3 -0.902 25.8 145.5-101.4 133.3 63.9 27.0 118.9 90 94 A Y E -H 98 0B 24 8,-2.0 8,-3.5 -2,-0.4 2,-0.4 -0.986 48.0-110.6-153.7 174.8 66.3 28.8 116.6 91 95 A V E -HI 97 127B 12 36,-2.6 36,-1.7 -2,-0.3 6,-0.2 -0.832 37.0-144.9-109.4 126.8 69.0 31.3 116.1 92 96 A D > - 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