==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-06 2DCZ . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.KONDO,K.MIYAZAKI,M.TAKENOUCHI,N.NORO,M.SUZUKI,S.TSUDA . 370 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 48.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 6 2 4 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A A 0 0 120 0, 0.0 3,-0.1 0, 0.0 184,-0.0 0.000 360.0 360.0 360.0 174.7 34.4 35.4 6.4 2 2 A S - 0 0 85 1,-0.2 183,-0.1 183,-0.1 39,-0.0 -0.167 360.0 -64.2 -72.6 170.9 32.3 34.4 9.5 3 3 A T + 0 0 26 181,-0.4 39,-0.2 1,-0.1 -1,-0.2 -0.201 44.8 172.7 -62.1 143.1 32.7 36.0 13.0 4 4 A D + 0 0 106 37,-2.2 2,-0.4 -3,-0.1 38,-0.2 0.298 55.0 73.0-129.1 5.6 36.0 35.8 14.9 5 5 A Y E -A 41 0A 63 36,-2.2 36,-2.3 162,-0.1 2,-0.5 -0.983 53.3-159.8-137.3 135.4 35.4 38.1 17.8 6 6 A W E -A 40 0A 73 -2,-0.4 2,-0.5 34,-0.2 34,-0.2 -0.957 13.1-164.3-112.3 122.7 33.3 38.1 21.1 7 7 A H E +A 39 0A 18 32,-3.1 32,-2.4 -2,-0.5 2,-0.4 -0.939 16.5 162.6-113.3 121.5 32.6 41.4 22.8 8 8 A F E +A 38 0A 88 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.926 9.5 155.8-137.2 112.7 31.4 41.5 26.4 9 9 A W E +A 37 0A 115 28,-2.4 28,-2.6 -2,-0.4 2,-0.3 -0.999 9.2 171.0-139.0 135.6 31.5 44.8 28.3 10 10 A T E -A 36 0A 45 -2,-0.4 26,-0.2 26,-0.2 4,-0.1 -0.991 34.8-137.5-138.1 145.0 29.6 46.1 31.3 11 11 A D - 0 0 80 24,-2.4 25,-0.1 -2,-0.3 3,-0.1 0.399 59.3-102.3 -79.5 3.0 30.2 49.2 33.5 12 12 A G S S+ 0 0 62 1,-0.3 2,-0.3 23,-0.2 24,-0.1 0.190 81.7 131.1 97.7 -15.2 29.4 47.0 36.5 13 13 A G S S- 0 0 26 22,-0.3 21,-1.4 2,-0.1 -1,-0.3 -0.557 70.3 -27.2 -75.6 131.2 25.8 48.3 37.1 14 14 A G S S- 0 0 48 19,-0.3 2,-0.4 -2,-0.3 18,-0.2 -0.193 98.5 -46.3 65.8-154.7 23.1 45.6 37.5 15 15 A I E -B 31 0A 46 16,-2.2 16,-2.5 19,-0.1 2,-0.5 -0.968 45.2-178.3-123.2 128.5 23.4 42.1 36.0 16 16 A V E -B 30 0A 16 -2,-0.4 2,-0.6 14,-0.2 14,-0.2 -0.935 5.4-174.3-127.0 105.3 24.4 41.2 32.5 17 17 A N E +B 29 0A 16 12,-2.5 12,-2.6 -2,-0.5 2,-0.3 -0.897 11.1 177.2-100.8 122.3 24.3 37.5 31.6 18 18 A A E -B 28 0A 25 -2,-0.6 2,-0.5 10,-0.2 10,-0.2 -0.918 20.1-149.9-124.9 150.1 25.7 36.6 28.2 19 19 A V E -B 27 0A 56 8,-2.2 8,-1.3 -2,-0.3 2,-1.3 -0.984 7.1-153.0-120.0 121.7 26.2 33.4 26.3 20 20 A N E -B 26 0A 89 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.779 37.4-174.0 -84.5 90.1 29.0 33.0 23.7 21 21 A G - 0 0 20 -2,-1.3 2,-0.1 4,-1.2 5,-0.0 0.014 29.2 -64.8 -81.9-173.9 27.2 30.3 21.7 22 22 A S S > S- 0 0 108 2,-0.1 3,-1.5 4,-0.0 -1,-0.2 -0.459 101.8 -10.6 -77.2 147.9 28.2 28.2 18.8 23 23 A G T 3 S- 0 0 67 1,-0.2 162,-0.1 -2,-0.1 160,-0.0 -0.443 131.2 -29.4 63.4-135.3 28.9 29.8 15.4 24 24 A G T 3 S+ 0 0 10 -2,-0.1 160,-1.9 16,-0.1 2,-0.3 0.140 106.3 121.0 -98.8 17.9 27.9 33.5 15.4 25 25 A N E < + C 0 183A 40 -3,-1.5 -4,-1.2 158,-0.3 2,-0.3 -0.629 30.2 158.7 -84.9 138.2 25.1 33.0 17.9 26 26 A Y E -BC 20 182A 0 156,-2.6 156,-2.4 -2,-0.3 2,-0.3 -0.967 19.2-155.8-146.9 165.2 24.9 34.8 21.3 27 27 A S E -BC 19 181A 14 -8,-1.3 -8,-2.2 -2,-0.3 2,-0.4 -0.979 0.9-159.0-140.9 154.5 22.3 35.7 23.9 28 28 A V E -BC 18 180A 0 152,-2.9 152,-2.7 -2,-0.3 2,-0.4 -0.997 8.6-179.3-134.7 140.3 21.9 38.3 26.6 29 29 A N E +BC 17 179A 2 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.3 -0.927 21.6 174.2-137.0 110.0 19.7 38.4 29.7 30 30 A W E -BC 16 178A 0 148,-2.5 148,-2.9 -2,-0.4 2,-0.4 -0.875 17.4-161.9-125.9 151.8 20.1 41.6 31.7 31 31 A S E -B 15 0A 6 -16,-2.5 -16,-2.2 -2,-0.3 146,-0.2 -0.990 66.6 -27.6-138.6 130.1 18.4 43.3 34.7 32 32 A N S S+ 0 0 133 -2,-0.4 145,-0.2 210,-0.2 -1,-0.1 0.837 88.9 176.2 39.0 58.7 18.4 46.9 36.0 33 33 A T - 0 0 8 143,-2.3 142,-0.8 1,-0.2 -19,-0.3 -0.274 38.1-139.4 -90.3 165.6 21.7 47.7 34.4 34 34 A G S S- 0 0 13 -21,-1.4 141,-0.6 1,-0.2 142,-0.4 0.228 71.9 -39.1 -80.7-137.3 24.1 50.6 33.9 35 35 A N E S+ D 0 174A 43 139,-0.2 -24,-2.4 140,-0.1 2,-0.3 -0.739 70.8 161.0 -92.5 139.2 25.6 50.7 30.4 36 36 A F E -AD 10 173A 0 137,-1.6 137,-1.8 -2,-0.3 2,-0.4 -0.984 23.3-159.0-151.7 155.9 26.7 47.5 28.7 37 37 A V E +AD 9 172A 3 -28,-2.6 -28,-2.4 -2,-0.3 2,-0.4 -0.987 13.7 174.1-138.7 127.2 27.6 46.3 25.2 38 38 A V E +AD 8 171A 0 133,-2.4 133,-3.2 -2,-0.4 2,-0.3 -1.000 19.6 127.0-133.0 132.2 27.5 42.6 24.1 39 39 A G E -AD 7 170A 0 -32,-2.4 -32,-3.1 -2,-0.4 2,-0.4 -0.992 44.1-120.4-168.3 172.4 28.0 41.3 20.6 40 40 A K E +AD 6 169A 8 129,-1.1 129,-2.6 -2,-0.3 2,-0.2 -0.955 53.0 97.7-122.7 147.7 29.7 39.1 18.0 41 41 A G E -AD 5 168A 0 -36,-2.3 -36,-2.2 -2,-0.4 -37,-2.2 -0.796 65.4 -27.4 177.3-130.2 31.6 40.2 15.0 42 42 A W E - D 0 167A 6 125,-3.0 125,-2.1 -2,-0.2 3,-0.1 -0.936 29.3-140.7-129.0 138.0 35.1 40.8 13.8 43 43 A T S S+ 0 0 76 -2,-0.4 2,-0.6 123,-0.2 -1,-0.1 0.876 102.1 42.1 -58.6 -41.9 38.4 41.8 15.5 44 44 A T S S- 0 0 90 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.948 87.0-143.2-112.1 114.7 39.2 44.1 12.5 45 45 A G - 0 0 5 120,-2.6 119,-0.1 -2,-0.6 121,-0.1 -0.308 13.5-156.7 -68.4 156.7 36.3 46.1 11.1 46 46 A S > - 0 0 31 1,-0.1 3,-0.9 -2,-0.0 100,-0.1 -1.000 23.1-146.1-139.4 138.7 35.9 46.7 7.4 47 47 A P T 3 S+ 0 0 31 0, 0.0 103,-0.2 0, 0.0 104,-0.1 0.636 103.9 54.7 -74.5 -12.3 34.1 49.4 5.4 48 48 A F T 3 S+ 0 0 171 98,-0.1 2,-0.2 99,-0.1 99,-0.1 0.422 82.7 117.3 -97.8 -1.2 33.3 46.8 2.7 49 49 A R < - 0 0 45 -3,-0.9 97,-1.2 97,-0.1 2,-0.6 -0.492 50.4-156.0 -78.6 133.2 31.6 44.3 5.0 50 50 A T E -E 145 0A 57 -2,-0.2 2,-0.4 95,-0.2 95,-0.2 -0.946 20.0-148.8-100.9 116.1 28.0 43.3 4.7 51 51 A I E -E 144 0A 0 93,-2.7 93,-2.8 -2,-0.6 2,-0.4 -0.745 9.5-161.3 -91.5 129.5 26.9 42.1 8.1 52 52 A N E +E 143 0A 48 133,-2.7 133,-2.7 -2,-0.4 2,-0.3 -0.900 18.9 160.2-107.3 141.4 24.2 39.4 8.2 53 53 A Y E -EF 142 184A 2 89,-2.5 89,-3.3 -2,-0.4 2,-0.4 -0.991 29.5-156.7-152.9 160.9 22.2 38.7 11.3 54 54 A N E - F 0 183A 34 129,-2.0 129,-2.3 -2,-0.3 2,-1.0 -0.935 11.5-156.8-139.7 116.7 19.0 37.1 12.7 55 55 A A E + F 0 182A 0 85,-0.5 127,-0.2 -2,-0.4 3,-0.1 -0.798 14.1 176.9 -95.8 93.2 17.6 38.4 16.0 56 56 A G E S+ 0 0 51 -2,-1.0 2,-0.4 125,-0.8 -1,-0.2 0.760 76.8 29.4 -67.6 -28.4 15.5 35.4 17.2 57 57 A V E + F 0 181A 53 124,-1.9 124,-2.6 -3,-0.1 2,-0.3 -0.983 61.1 166.0-133.7 122.1 14.8 37.3 20.4 58 58 A W E + F 0 180A 37 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.840 20.7 143.6-132.0 99.5 14.6 41.1 20.7 59 59 A A E + F 0 179A 37 120,-2.1 120,-2.1 -2,-0.3 2,-0.3 -0.495 14.1 168.1-139.9 64.7 13.0 42.0 24.0 60 60 A P E - F 0 178A 26 0, 0.0 2,-0.6 0, 0.0 118,-0.2 -0.602 21.6-157.5 -74.9 139.8 14.4 45.1 25.7 61 61 A N E S- F 0 177A 130 116,-3.3 116,-1.5 -2,-0.3 2,-0.3 -0.779 76.4 -11.9-113.1 84.3 12.3 46.4 28.6 62 62 A G E S+ 0 0 13 -2,-0.6 25,-1.4 114,-0.2 2,-0.8 -0.917 126.0 2.6 121.2-155.3 13.6 50.0 28.6 63 63 A N E S+ F 0 174A 26 111,-0.6 111,-2.1 112,-0.4 2,-0.3 -0.595 75.4 139.0 -76.1 108.0 16.6 51.4 26.8 64 64 A G E - F 0 173A 0 -2,-0.8 22,-1.1 109,-0.2 2,-0.4 -0.982 33.6-151.4-141.8 145.0 18.3 48.8 24.6 65 65 A Y E -GF 85 172A 16 107,-3.1 107,-2.1 -2,-0.3 2,-0.7 -0.951 9.9-156.0-115.6 138.7 19.7 49.0 21.0 66 66 A L E +GF 84 171A 0 18,-2.7 17,-2.2 -2,-0.4 18,-1.6 -0.952 49.9 145.7-105.0 107.3 20.0 46.3 18.4 67 67 A T E -GF 82 170A 0 103,-2.3 103,-3.4 -2,-0.7 2,-0.3 -0.989 61.2-112.8-152.2 141.8 22.8 47.8 16.5 68 68 A L E -GF 81 169A 0 13,-2.6 13,-2.0 -2,-0.3 2,-0.3 -0.658 48.6-174.7 -68.0 138.9 26.0 47.4 14.4 69 69 A Y E +GF 80 168A 13 99,-2.8 99,-3.2 -2,-0.3 2,-0.3 -0.999 14.4 129.0-146.0 138.1 28.7 48.9 16.7 70 70 A G E -GF 79 167A 0 9,-1.6 9,-2.7 -2,-0.3 2,-0.3 -0.987 33.7-121.9-173.5 179.4 32.4 49.6 16.2 71 71 A W E -G 78 0A 6 95,-1.5 94,-2.0 -2,-0.3 2,-0.3 -0.946 9.2-167.0-136.6 153.5 35.4 51.9 16.4 72 72 A T E > -GF 77 164A 0 5,-2.0 5,-1.8 -2,-0.3 2,-0.3 -0.922 13.0-145.6-128.7 162.2 38.1 53.4 14.3 73 73 A R E 5 + F 0 163A 85 90,-2.9 90,-2.2 -2,-0.3 89,-0.4 -0.904 67.7 64.3-120.6 156.8 41.3 55.2 15.2 74 74 A S T 5S+ 0 0 93 -2,-0.3 88,-1.6 87,-0.2 -1,-0.2 0.967 128.8 21.0 60.2 64.8 43.0 58.2 13.4 75 75 A P T 5S- 0 0 73 0, 0.0 2,-0.6 0, 0.0 86,-0.4 0.559 109.0-125.1 -84.1 166.7 40.6 59.8 13.9 76 76 A L T 5 + 0 0 25 -3,-0.2 50,-1.1 48,-0.2 2,-0.4 -0.627 40.6 169.0 -74.6 116.3 38.9 58.1 16.9 77 77 A I E < -Gh 72 126A 5 -5,-1.8 -5,-2.0 -2,-0.6 2,-0.5 -0.997 27.6-157.6-135.5 134.2 35.2 57.4 16.0 78 78 A E E -Gh 71 127A 15 48,-1.8 50,-2.2 -2,-0.4 2,-0.3 -0.953 26.5-167.2-105.5 125.8 32.5 55.3 17.6 79 79 A Y E -Gh 70 128A 0 -9,-2.7 -9,-1.6 -2,-0.5 2,-0.3 -0.898 12.6-170.5-125.6 153.4 29.8 54.3 15.1 80 80 A Y E -Gh 69 129A 5 48,-2.5 50,-1.8 -2,-0.3 2,-0.4 -0.993 18.3-171.1-136.5 138.3 26.3 52.8 15.1 81 81 A V E -Gh 68 130A 0 -13,-2.0 -13,-2.6 -2,-0.3 2,-0.7 -0.883 26.8-162.4-122.1 99.7 23.8 51.3 12.7 82 82 A V E +Gh 67 131A 0 48,-3.1 50,-2.5 -2,-0.4 -15,-0.2 -0.731 22.3 168.6 -91.6 113.5 20.7 51.0 14.8 83 83 A D E + 0 0 0 -17,-2.2 53,-2.9 -2,-0.7 2,-0.3 0.805 68.9 3.0 -90.9 -36.3 18.1 48.6 13.4 84 84 A S E +G 66 0A 5 -18,-1.6 -18,-2.7 51,-0.2 2,-0.3 -0.947 61.1 176.3-146.6 168.8 15.9 48.4 16.5 85 85 A W E -G 65 0A 25 -2,-0.3 -20,-0.2 -20,-0.2 4,-0.1 -0.889 23.6-122.8-157.7-179.3 15.5 49.8 20.1 86 86 A G S S- 0 0 11 -22,-1.1 -23,-0.2 2,-0.4 -1,-0.2 0.516 79.5 -25.0-103.3-109.7 13.3 49.7 23.2 87 87 A T S S+ 0 0 112 -25,-1.4 2,-0.5 1,-0.1 -24,-0.2 0.574 124.0 60.1 -88.3 -10.6 11.8 52.8 24.9 88 88 A Y - 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