==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-07 2QZ3 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.VANDERMARLIERE,T.M.BOURGOIS,S.V.STRELKOV,J.A.DELCOUR, . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 76.9 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 . 180 48.9 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 . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.3 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 . 1 0 0 2 0 6 4 2 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 115 0, 0.0 183,-0.1 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0-107.3 -9.7 -0.8 -36.2 2 3 A T + 0 0 7 181,-0.5 39,-0.2 1,-0.1 3,-0.1 -0.282 360.0 176.8 -73.9 155.0 -7.4 -3.6 -35.1 3 4 A D + 0 0 41 37,-2.4 187,-2.2 1,-0.1 2,-0.4 0.315 59.7 70.3-131.2 2.3 -6.3 -6.5 -37.4 4 5 A Y E -AB 40 189A 24 36,-2.1 36,-2.2 185,-0.2 2,-0.4 -0.970 52.5-162.4-135.5 140.7 -3.9 -8.4 -35.0 5 6 A W E -A 39 0A 16 183,-2.3 2,-0.5 -2,-0.4 34,-0.2 -0.989 11.6-164.6-120.6 120.3 -4.0 -10.6 -31.9 6 7 A Q E +A 38 0A 15 32,-3.2 32,-2.6 -2,-0.4 2,-0.3 -0.918 17.7 161.3-109.7 125.1 -0.8 -11.1 -29.8 7 8 A N E +A 37 0A 73 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.770 12.7 154.1-147.2 94.1 -0.8 -13.9 -27.3 8 9 A W E +A 36 0A 93 28,-2.8 28,-2.6 -2,-0.3 2,-0.3 -0.985 10.5 168.4-129.2 136.6 2.7 -15.0 -26.1 9 10 A T E -A 35 0A 53 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.991 37.4-136.5-138.8 146.2 3.9 -16.7 -23.0 10 11 A D - 0 0 77 24,-2.6 25,-0.1 -2,-0.3 -1,-0.0 0.416 61.2-103.4 -77.2 1.5 7.2 -18.3 -22.1 11 12 A G S S+ 0 0 58 1,-0.3 2,-0.3 23,-0.3 24,-0.1 0.332 77.3 137.9 95.5 -4.1 5.1 -21.0 -20.4 12 13 A G - 0 0 24 22,-0.3 21,-1.1 2,-0.1 -1,-0.3 -0.552 69.1 -29.6 -73.8 134.4 5.6 -20.0 -16.8 13 14 A G S S- 0 0 50 19,-0.3 2,-0.5 -2,-0.3 18,-0.2 -0.153 102.9 -39.1 60.4-149.7 2.5 -20.1 -14.6 14 15 A I E +C 30 0A 89 16,-2.6 16,-2.6 19,-0.1 2,-0.4 -0.953 45.7 177.1-120.3 127.7 -1.0 -19.5 -16.1 15 16 A V E -C 29 0A 25 -2,-0.5 2,-1.0 14,-0.2 14,-0.2 -0.902 6.5-174.1-128.3 99.5 -1.9 -17.0 -18.8 16 17 A N E +C 28 0A 104 12,-3.1 12,-2.0 -2,-0.4 2,-0.4 -0.815 14.1 179.9 -95.3 91.8 -5.6 -17.3 -19.7 17 18 A A E -C 27 0A 24 -2,-1.0 2,-0.5 10,-0.2 10,-0.2 -0.829 13.1-157.4 -99.5 133.1 -6.0 -14.9 -22.7 18 19 A V E -C 26 0A 77 8,-3.2 8,-1.6 -2,-0.4 2,-1.2 -0.939 11.1-147.0-115.3 118.7 -9.3 -14.4 -24.4 19 20 A N E -C 25 0A 27 -2,-0.5 188,-2.8 6,-0.2 6,-0.2 -0.719 34.7-170.2 -80.2 98.3 -9.4 -13.1 -28.0 20 21 A G - 0 0 6 -2,-1.2 187,-0.3 4,-1.2 2,-0.1 0.034 30.1 -60.7 -83.3-170.7 -12.7 -11.1 -27.7 21 22 A S S > S- 0 0 58 185,-0.2 3,-2.6 2,-0.1 184,-0.2 -0.452 98.0 -28.6 -70.7 145.0 -14.9 -9.5 -30.3 22 23 A G T 3 S- 0 0 21 182,-2.6 162,-0.1 1,-0.3 183,-0.0 -0.223 133.0 -14.0 55.0-126.6 -13.4 -6.6 -32.4 23 24 A G T 3 S+ 0 0 10 16,-0.1 160,-1.5 -4,-0.0 2,-0.3 0.303 110.9 112.3 -89.7 9.2 -10.7 -4.8 -30.5 24 25 A N E < + D 0 182A 43 -3,-2.6 -4,-1.2 158,-0.3 2,-0.3 -0.615 35.1 157.7 -90.2 139.5 -11.6 -6.4 -27.1 25 26 A Y E -CD 19 181A 0 156,-2.6 156,-2.3 -2,-0.3 2,-0.3 -0.977 19.9-155.4-148.7 164.1 -9.6 -8.9 -25.1 26 27 A S E -CD 18 180A 19 -8,-1.6 -8,-3.2 -2,-0.3 2,-0.4 -0.968 3.9-167.8-137.1 154.6 -9.2 -10.2 -21.6 27 28 A V E -CD 17 179A 0 152,-2.2 152,-2.4 -2,-0.3 2,-0.4 -0.990 7.3-176.0-140.4 135.9 -6.4 -11.8 -19.6 28 29 A N E +CD 16 178A 75 -12,-2.0 -12,-3.1 -2,-0.4 2,-0.3 -0.998 23.5 177.5-125.9 123.8 -6.4 -13.6 -16.3 29 30 A W E -CD 15 177A 11 148,-2.8 148,-2.5 -2,-0.4 2,-0.4 -0.923 16.7-164.6-132.6 156.8 -3.0 -14.6 -15.2 30 31 A S E -C 14 0A 45 -16,-2.6 -16,-2.6 -2,-0.3 146,-0.2 -0.978 66.1 -23.9-147.2 127.9 -1.3 -16.2 -12.3 31 32 A N S S- 0 0 122 -2,-0.4 145,-0.2 -18,-0.2 -1,-0.1 0.848 87.6-176.1 45.9 52.4 2.4 -16.5 -11.1 32 33 A T - 0 0 7 143,-2.3 142,-1.1 -19,-0.2 -19,-0.3 -0.187 33.6-146.1 -81.9 164.4 3.7 -16.0 -14.6 33 34 A G S S- 0 0 9 -21,-1.1 141,-0.4 1,-0.3 2,-0.3 0.113 72.7 -35.1 -85.4-142.7 7.0 -16.0 -16.4 34 35 A N S S+ 0 0 40 139,-0.2 -24,-2.6 -2,-0.1 2,-0.3 -0.659 75.3 160.8 -80.1 136.3 7.3 -13.5 -19.2 35 36 A F E -AE 9 172A 2 137,-2.0 137,-2.2 -2,-0.3 2,-0.3 -0.990 22.9-168.2-151.0 155.6 4.1 -12.9 -21.3 36 37 A V E +AE 8 171A 9 -28,-2.6 -28,-2.8 -2,-0.3 2,-0.4 -0.954 12.0 171.7-146.0 125.6 2.6 -10.3 -23.6 37 38 A V E +AE 7 170A 0 133,-2.5 133,-2.9 -2,-0.3 2,-0.3 -1.000 20.2 121.7-134.5 132.0 -1.0 -10.3 -24.8 38 39 A G E -AE 6 169A 0 -32,-2.6 -32,-3.2 -2,-0.4 2,-0.4 -0.996 47.1-112.8-174.6 172.3 -2.7 -7.5 -26.7 39 40 A K E +AE 5 168A 4 129,-1.3 129,-2.8 -2,-0.3 2,-0.2 -0.940 55.2 96.7-120.3 148.7 -4.6 -6.3 -29.7 40 41 A G E -AE 4 167A 0 -36,-2.2 -37,-2.4 -2,-0.4 -36,-2.1 -0.764 66.6 -30.0 176.9-128.6 -3.4 -4.0 -32.4 41 42 A W E - E 0 166A 16 125,-2.9 125,-2.3 -2,-0.2 3,-0.1 -0.931 31.0-137.3-131.1 140.0 -1.9 -4.0 -35.9 42 43 A T S S+ 0 0 22 -2,-0.3 2,-0.6 123,-0.2 -1,-0.1 0.835 102.1 44.4 -63.3 -31.6 0.4 -6.5 -37.8 43 44 A T S S- 0 0 91 122,-0.1 -1,-0.2 123,-0.1 122,-0.2 -0.949 84.4-146.6-120.9 112.6 2.4 -3.5 -39.0 44 45 A G - 0 0 7 120,-3.0 119,-0.1 -2,-0.6 121,-0.1 -0.211 10.0-159.0 -69.0 160.9 3.3 -0.8 -36.6 45 46 A S > - 0 0 30 1,-0.0 3,-1.1 -4,-0.0 100,-0.1 -0.990 23.9-142.1-142.8 138.1 3.5 2.9 -37.5 46 47 A P T 3 S+ 0 0 28 0, 0.0 103,-0.2 0, 0.0 104,-0.2 0.581 106.4 55.0 -70.2 -8.6 5.3 5.8 -35.8 47 48 A F T 3 S+ 0 0 167 98,-0.1 99,-0.1 99,-0.1 2,-0.1 0.419 80.9 121.0-103.1 -2.9 2.3 7.9 -36.8 48 49 A R < - 0 0 61 -3,-1.1 97,-1.2 96,-0.1 2,-0.6 -0.354 50.4-152.0 -70.7 139.7 -0.4 5.8 -35.2 49 50 A T E -F 144 0A 63 95,-0.2 2,-0.5 96,-0.1 95,-0.2 -0.968 18.7-154.3-106.5 114.9 -2.8 7.2 -32.6 50 51 A I E -F 143 0A 0 93,-2.5 93,-2.9 -2,-0.6 2,-0.4 -0.795 8.4-165.8 -96.8 130.1 -3.8 4.2 -30.4 51 52 A N E +F 142 0A 37 133,-2.8 133,-2.6 -2,-0.5 2,-0.3 -0.890 17.2 156.8-111.4 144.7 -7.1 4.4 -28.6 52 53 A Y E -FG 141 183A 2 89,-2.5 89,-3.1 -2,-0.4 2,-0.3 -0.987 30.7-152.2-156.1 165.6 -8.1 2.0 -25.8 53 54 A N E - G 0 182A 35 129,-2.0 129,-2.0 -2,-0.3 2,-1.1 -0.922 11.5-155.2-142.7 115.5 -10.3 1.6 -22.8 54 55 A A E + G 0 181A 0 85,-0.4 127,-0.3 -2,-0.3 3,-0.1 -0.779 14.1 178.4 -92.2 93.2 -9.2 -0.7 -19.9 55 56 A G E S+ 0 0 52 -2,-1.1 2,-0.4 125,-1.0 -1,-0.2 0.795 77.3 28.3 -65.0 -33.2 -12.5 -1.7 -18.3 56 57 A V E + G 0 180A 62 124,-1.7 124,-2.2 -3,-0.1 2,-0.4 -0.993 64.3 166.1-128.0 126.0 -10.6 -3.9 -15.9 57 58 A W E + G 0 179A 34 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.865 16.5 144.9-137.4 103.9 -7.0 -3.2 -14.8 58 59 A A E + G 0 178A 52 120,-2.7 120,-1.2 -2,-0.4 2,-0.2 -0.458 19.6 155.4-142.6 65.6 -6.0 -5.3 -11.8 59 60 A P E - 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