==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-12 3VZL . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR M.L.LUDWICZEK,I.D'ANGELO,G.N.YALLOWAY,M.OKON,J.E.NIELSEN, . 740 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 345 46.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 85 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 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 4 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 1 4 1 10 7 8 2 5 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 0 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 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 91 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 158.2 3.9 -5.6 -19.9 2 2 A S - 0 0 110 183,-0.2 2,-0.3 21,-0.0 183,-0.1 -0.605 360.0-135.8 -77.8 139.5 3.8 -2.9 -22.6 3 3 A T - 0 0 30 -2,-0.3 39,-0.2 181,-0.3 3,-0.1 -0.670 17.7-173.3 -89.7 152.6 0.8 -2.9 -24.9 4 4 A D + 0 0 100 37,-1.9 2,-0.4 -2,-0.3 38,-0.2 0.321 53.9 70.2-125.9 8.8 1.3 -2.5 -28.7 5 5 A Y E -A 41 0A 75 36,-1.7 36,-2.3 162,-0.1 2,-0.6 -0.999 53.9-155.5-139.1 137.4 -2.1 -2.1 -30.4 6 6 A W E -A 40 0A 69 -2,-0.4 2,-0.7 34,-0.2 34,-0.2 -0.951 9.7-162.8-114.2 114.0 -4.8 0.5 -30.4 7 7 A Q E +A 39 0A 17 32,-3.3 32,-3.0 -2,-0.6 2,-0.2 -0.868 22.2 155.9-102.2 115.7 -8.3 -0.6 -31.2 8 8 A N E +A 38 0A 80 -2,-0.7 2,-0.4 30,-0.3 30,-0.2 -0.732 10.0 152.4-140.2 88.5 -10.6 2.2 -32.2 9 9 A W E +A 37 0A 113 28,-3.0 28,-2.7 -2,-0.2 2,-0.3 -0.955 9.8 168.3-124.3 140.0 -13.7 1.4 -34.4 10 10 A T E -A 36 0A 57 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.987 35.6-137.5-141.5 145.4 -17.1 3.0 -34.7 11 11 A D - 0 0 44 24,-2.0 25,-0.1 -2,-0.3 -1,-0.0 0.574 61.8 -98.9 -77.0 -8.1 -19.9 2.4 -37.3 12 12 A G S S+ 0 0 60 1,-0.3 2,-0.2 23,-0.2 24,-0.1 0.421 77.0 142.4 108.2 4.4 -20.3 6.2 -37.4 13 13 A G - 0 0 12 22,-0.3 21,-0.7 2,-0.0 -1,-0.3 -0.566 64.9 -41.7 -79.2 141.3 -23.3 6.5 -35.0 14 14 A G S S- 0 0 50 19,-0.3 2,-0.5 -2,-0.2 18,-0.2 0.031 102.2 -32.3 41.5-139.7 -23.5 9.5 -32.5 15 15 A I E +B 31 0A 84 16,-2.5 16,-2.4 19,-0.0 2,-0.5 -0.946 50.2 174.9-122.1 124.1 -20.4 10.5 -30.7 16 16 A V E -B 30 0A 29 -2,-0.5 2,-0.9 14,-0.2 14,-0.2 -0.942 11.6-168.4-126.3 103.5 -17.6 8.2 -29.6 17 17 A N E -B 29 0A 91 12,-3.6 12,-1.8 -2,-0.5 2,-0.5 -0.807 11.4-179.8-100.1 98.5 -14.7 10.2 -28.1 18 18 A A E -B 28 0A 26 -2,-0.9 2,-0.5 10,-0.2 10,-0.2 -0.842 11.0-162.9-106.2 126.2 -11.7 7.9 -27.8 19 19 A V E -B 27 0A 84 8,-2.5 8,-1.6 -2,-0.5 2,-1.3 -0.951 14.5-147.7-112.4 118.9 -8.4 8.9 -26.4 20 20 A N E -B 26 0A 92 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.726 38.8-172.1 -72.5 88.5 -5.2 6.9 -26.9 21 21 A G - 0 0 17 -2,-1.3 2,-0.1 4,-1.2 5,-0.0 0.009 31.5 -45.6 -82.3-173.0 -3.6 7.8 -23.6 22 22 A S S > S- 0 0 109 2,-0.1 3,-2.7 4,-0.0 -1,-0.2 -0.307 100.0 -44.4 -49.1 127.4 -0.3 7.3 -21.9 23 23 A G T 3 S- 0 0 61 1,-0.3 162,-0.0 -3,-0.1 -21,-0.0 -0.191 132.6 -3.0 52.3-116.4 1.2 3.7 -22.3 24 24 A G T 3 S+ 0 0 16 16,-0.1 160,-2.2 -4,-0.0 -1,-0.3 0.344 108.9 110.5 -90.3 8.3 -1.7 1.3 -21.6 25 25 A N E < + C 0 183A 42 -3,-2.7 -4,-1.2 158,-0.2 2,-0.3 -0.606 35.6 164.8 -92.1 143.6 -4.3 3.9 -20.7 26 26 A Y E -BC 20 182A 0 156,-2.2 156,-1.4 -2,-0.3 2,-0.4 -0.985 16.3-160.5-146.4 160.1 -7.4 4.8 -22.6 27 27 A S E -BC 19 181A 24 -8,-1.6 -8,-2.5 -2,-0.3 2,-0.4 -0.980 2.4-166.2-135.9 150.4 -10.7 6.7 -22.2 28 28 A V E -BC 18 180A 0 152,-2.1 152,-2.2 -2,-0.4 2,-0.4 -0.990 5.0-177.0-132.2 133.3 -13.9 6.6 -24.1 29 29 A N E +BC 17 179A 76 -12,-1.8 -12,-3.6 -2,-0.4 2,-0.3 -0.993 21.5 170.4-123.5 120.7 -16.7 9.2 -23.8 30 30 A W E +BC 16 178A 8 148,-2.5 148,-2.3 -2,-0.4 2,-0.3 -0.866 15.2 179.2-131.9 162.5 -19.7 8.2 -25.9 31 31 A S E -B 15 0A 33 -16,-2.4 -16,-2.5 -2,-0.3 146,-0.2 -0.938 67.1 -3.5-164.6 139.6 -23.3 9.3 -26.5 32 32 A N S S+ 0 0 74 -2,-0.3 145,-0.2 -18,-0.2 -18,-0.1 0.799 90.4 166.9 48.3 41.0 -26.2 8.3 -28.7 33 33 A T - 0 0 1 143,-2.3 -19,-0.3 -19,-0.2 -1,-0.1 -0.096 40.4-143.4 -84.6 174.1 -24.0 5.8 -30.5 34 34 A G - 0 0 3 -21,-0.7 141,-1.7 141,-0.1 2,-0.5 0.306 68.3 -42.4 -91.7-122.9 -24.4 3.0 -32.9 35 35 A H E + D 0 174A 35 139,-0.2 -24,-2.0 140,-0.1 2,-0.3 -0.924 69.2 162.3-114.5 133.8 -22.0 0.1 -32.3 36 36 A F E -AD 10 173A 0 137,-1.5 137,-1.8 -2,-0.5 2,-0.3 -0.959 23.9-156.4-143.5 163.0 -18.4 0.7 -31.5 37 37 A V E +AD 9 172A 5 -28,-2.7 -28,-3.0 -2,-0.3 2,-0.4 -0.935 17.9 170.2-142.9 125.9 -15.4 -1.1 -30.1 38 38 A V E +AD 8 171A 0 133,-2.7 133,-2.8 -2,-0.3 2,-0.3 -0.986 17.3 116.3-132.8 130.8 -12.3 0.7 -28.4 39 39 A G E -AD 7 170A 0 -32,-3.0 -32,-3.3 -2,-0.4 2,-0.4 -0.981 47.1-104.2-172.1-174.0 -9.4 -0.7 -26.4 40 40 A K E +AD 6 169A 6 129,-1.2 129,-2.3 -2,-0.3 2,-0.2 -0.941 53.2 100.4-121.4 142.8 -5.7 -1.5 -25.9 41 41 A G E -AD 5 168A 0 -36,-2.3 -37,-1.9 -2,-0.4 -36,-1.7 -0.694 65.6 -41.6-172.8-132.8 -3.8 -4.7 -26.2 42 42 A W E - D 0 167A 13 125,-2.1 125,-2.4 -2,-0.2 3,-0.1 -0.969 32.3-135.8-129.5 141.0 -1.6 -6.7 -28.5 43 43 A T S S+ 0 0 67 -2,-0.4 2,-0.5 123,-0.2 -1,-0.1 0.752 100.9 45.9 -62.1 -30.4 -1.8 -7.1 -32.4 44 44 A T S S- 0 0 86 123,-0.1 122,-0.2 122,-0.1 -1,-0.2 -0.955 82.5-152.2-123.4 107.6 -1.1 -10.8 -32.0 45 45 A G - 0 0 5 120,-2.8 119,-0.2 -2,-0.5 121,-0.1 -0.255 6.3-153.8 -75.2 162.8 -3.1 -12.6 -29.3 46 46 A S > - 0 0 28 1,-0.0 3,-0.7 -2,-0.0 100,-0.0 -0.982 22.2-138.2-136.4 146.9 -1.8 -15.7 -27.5 47 47 A P T 3 S+ 0 0 27 0, 0.0 103,-0.2 0, 0.0 104,-0.2 0.530 109.8 52.3 -79.2 -5.4 -3.7 -18.6 -25.8 48 48 A F T 3 S+ 0 0 162 98,-0.1 2,-0.1 99,-0.1 99,-0.1 0.336 82.6 122.6-104.1 -5.9 -1.0 -18.3 -23.1 49 49 A R < - 0 0 58 -3,-0.7 97,-0.6 97,-0.1 2,-0.5 -0.381 47.7-154.4 -69.3 143.7 -1.4 -14.6 -22.4 50 50 A T E -E 145 0A 73 95,-0.2 2,-0.4 96,-0.1 95,-0.2 -0.969 15.2-154.1-113.4 118.4 -2.2 -13.2 -18.9 51 51 A I E -E 144 0A 0 93,-1.9 93,-2.8 -2,-0.5 2,-0.4 -0.812 9.1-167.7 -99.1 127.1 -4.0 -9.8 -19.1 52 52 A N E +E 143 0A 42 133,-2.1 133,-3.0 -2,-0.4 2,-0.3 -0.935 17.9 161.9-107.2 137.7 -3.9 -7.2 -16.2 53 53 A Y E -EF 142 184A 4 89,-2.3 89,-2.5 -2,-0.4 2,-0.4 -0.959 27.1-158.2-147.0 160.1 -6.2 -4.1 -16.3 54 54 A N E - F 0 183A 38 129,-1.6 129,-2.3 -2,-0.3 2,-1.0 -0.920 11.3-155.2-144.2 113.3 -7.6 -1.5 -14.0 55 55 A A E + F 0 182A 1 85,-0.4 127,-0.3 -2,-0.4 3,-0.2 -0.841 13.3 179.7 -89.6 94.7 -10.8 0.2 -15.0 56 56 A G E S+ 0 0 50 -2,-1.0 2,-0.4 125,-1.0 126,-0.2 0.830 76.3 31.2 -64.9 -36.4 -10.7 3.5 -13.2 57 57 A V E + F 0 181A 59 124,-2.2 124,-2.4 -3,-0.1 2,-0.4 -0.973 58.9 164.9-125.8 123.1 -14.0 4.5 -14.8 58 58 A W E + F 0 180A 37 -2,-0.4 122,-0.2 122,-0.2 80,-0.1 -0.813 23.0 141.5-129.3 94.3 -16.8 2.1 -15.7 59 59 A A E + F 0 179A 17 120,-2.6 120,-1.8 -2,-0.4 2,-0.2 -0.550 16.7 169.8-136.3 68.5 -20.0 4.1 -16.2 60 60 A P E - 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