==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-99 1QH7 . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR E.SABINI,G.SULZENBACHER,M.DAUTER,Z.DAUTER,P.L.JORGENSEN, . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 49.8 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 . 7 1.7 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 . 1 0.2 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 . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 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 4 0 1 6 4 0 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 X 0 0 123 0, 0.0 29,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 10.0 12.2 12.5 30.1 2 2 A I E -A 29 0A 114 27,-0.2 2,-0.5 25,-0.0 27,-0.2 -0.896 360.0-173.5 -97.5 118.0 8.4 12.5 31.5 3 3 A V E +A 28 0A 13 25,-2.9 25,-3.0 -2,-0.5 4,-0.1 -0.978 24.2 153.7-124.8 115.4 6.6 15.6 30.5 4 4 A T + 0 0 80 -2,-0.5 22,-0.4 23,-0.2 2,-0.3 0.185 66.9 43.0-126.1 15.9 3.1 16.4 31.9 5 5 A D S S- 0 0 107 23,-0.1 13,-0.1 20,-0.1 23,-0.1 -0.949 107.1 -53.1-154.9 161.3 3.1 20.2 31.7 6 6 A N + 0 0 78 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.159 68.2 154.6 -44.4 132.4 4.2 22.8 29.1 7 7 A S E -B 18 0A 37 11,-2.0 11,-2.5 -4,-0.1 2,-0.4 -0.982 28.9-165.8-165.7 140.1 7.8 22.3 28.1 8 8 A I E +B 17 0A 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -1.000 36.3 116.0-127.9 130.0 10.1 23.1 25.2 9 9 A G E -B 16 0A 21 7,-2.0 7,-2.2 -2,-0.4 2,-0.4 -0.929 58.6 -87.8-168.3-165.8 13.5 21.4 24.8 10 10 A N E -B 15 0A 96 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.988 34.3-178.7-124.9 130.3 15.7 19.1 22.8 11 11 A H E > S-B 14 0A 49 3,-2.9 3,-2.1 -2,-0.4 20,-0.1 -0.991 72.0 -19.6-134.9 119.5 15.7 15.3 23.4 12 12 A D T 3 S- 0 0 103 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.844 129.2 -49.1 52.8 41.0 18.0 12.9 21.5 13 13 A G T 3 S+ 0 0 12 1,-0.3 2,-0.4 194,-0.2 -1,-0.3 0.253 117.2 106.3 88.1 -8.7 18.5 15.5 18.7 14 14 A Y E < S-B 11 0A 8 -3,-2.1 -3,-2.9 19,-0.3 2,-0.6 -0.812 71.7-124.9-102.9 140.5 14.8 16.4 18.2 15 15 A D E -BC 10 51A 28 36,-2.8 36,-2.4 -2,-0.4 2,-0.3 -0.731 37.1-166.3 -79.7 114.2 13.1 19.6 19.4 16 16 A Y E -BC 9 50A 31 -7,-2.2 -7,-2.0 -2,-0.6 2,-0.3 -0.784 9.7-174.0-103.2 153.4 10.2 18.4 21.5 17 17 A E E -BC 8 49A 15 32,-2.1 32,-2.2 -2,-0.3 2,-0.4 -0.975 14.5-170.5-149.1 138.5 7.3 20.4 22.8 18 18 A F E +BC 7 48A 1 -11,-2.5 -11,-2.0 -2,-0.3 2,-0.4 -0.995 21.7 171.8-119.2 126.5 4.4 19.7 25.1 19 19 A W E + C 0 47A 65 28,-2.3 28,-3.0 -2,-0.4 2,-0.3 -0.984 5.4 151.8-140.9 133.2 1.7 22.4 25.1 20 20 A K E - C 0 46A 25 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.987 32.7-131.6-146.8 163.3 -1.7 22.7 26.6 21 21 A D - 0 0 60 24,-1.7 23,-0.2 -2,-0.3 -15,-0.0 -0.317 56.9 -62.3 -97.9-179.2 -4.1 25.2 28.0 22 22 A S S S+ 0 0 102 -2,-0.1 22,-0.2 21,-0.1 23,-0.2 -0.316 96.3 60.9 -67.9 150.7 -5.8 24.8 31.4 23 23 A G S S+ 0 0 35 1,-0.3 21,-0.6 20,-0.1 22,-0.1 0.206 87.9 10.7 108.8 136.6 -8.2 21.9 31.9 24 24 A G S S- 0 0 45 19,-0.2 -1,-0.3 16,-0.1 2,-0.3 -0.121 78.9 -91.2 61.7-163.4 -7.6 18.1 31.8 25 25 A S E - D 0 41A 61 16,-2.2 16,-2.8 -3,-0.1 2,-0.3 -0.980 26.4-169.6-149.8 159.7 -4.3 16.4 31.6 26 26 A G E - D 0 40A 4 -22,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.990 6.5-159.1-153.2 154.3 -1.6 14.9 29.4 27 27 A T E - D 0 39A 53 12,-2.6 12,-1.6 -2,-0.3 2,-0.4 -0.984 6.8-172.5-137.2 126.0 1.5 12.8 29.7 28 28 A M E -AD 3 38A 0 -25,-3.0 -25,-2.9 -2,-0.4 2,-0.6 -0.968 7.6-160.1-119.0 126.0 4.3 12.7 27.1 29 29 A I E -AD 2 37A 67 8,-2.2 8,-2.2 -2,-0.4 2,-0.6 -0.965 16.5-140.1-108.0 119.0 7.2 10.1 27.4 30 30 A L E + D 0 36A 9 -29,-2.6 6,-0.2 -2,-0.6 2,-0.1 -0.733 29.8 177.6 -82.3 117.7 10.2 11.2 25.4 31 31 A N - 0 0 58 4,-1.9 4,-0.0 -2,-0.6 -20,-0.0 -0.419 38.2 -42.3-113.0-175.9 11.7 8.1 23.7 32 32 A H S > S- 0 0 132 -2,-0.1 3,-2.5 2,-0.1 -1,-0.2 -0.174 101.2 -29.1 -53.3 144.0 14.6 7.5 21.4 33 33 A G T 3 S- 0 0 18 1,-0.3 -19,-0.3 -3,-0.1 -22,-0.1 -0.269 131.8 -14.0 58.6-130.3 15.3 9.8 18.4 34 34 A G T 3 S+ 0 0 3 163,-0.5 -1,-0.3 -21,-0.1 162,-0.1 0.456 110.9 113.3 -84.8 3.6 12.1 11.3 17.2 35 35 A T < + 0 0 7 -3,-2.5 -4,-1.9 160,-0.1 2,-0.3 -0.315 31.8 148.5 -87.6 158.8 9.9 8.9 19.1 36 36 A F E -DE 30 194A 0 158,-1.7 158,-2.6 -6,-0.2 2,-0.3 -0.958 33.6-128.4-171.6 159.9 7.5 9.6 22.0 37 37 A S E -DE 29 193A 28 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.3 -0.862 22.1-165.7-121.6 150.6 4.3 8.4 23.5 38 38 A A E +DE 28 192A 4 154,-2.7 154,-2.6 -2,-0.3 2,-0.3 -0.996 11.9 178.4-137.1 146.4 1.3 10.6 24.5 39 39 A Q E +DE 27 191A 114 -12,-1.6 -12,-2.6 -2,-0.3 2,-0.3 -0.984 11.3 178.7-144.6 135.0 -1.8 10.2 26.6 40 40 A W E -DE 26 190A 0 150,-2.6 150,-2.5 -2,-0.3 2,-0.4 -0.985 9.2-165.2-143.9 152.5 -4.4 12.9 27.2 41 41 A N E -D 25 0A 76 -16,-2.8 -16,-2.2 -2,-0.3 148,-0.2 -0.952 66.1 -22.0-146.9 124.3 -7.7 13.1 29.1 42 42 A N S S+ 0 0 128 -2,-0.4 147,-0.2 -18,-0.2 2,-0.1 0.809 83.7 166.4 51.0 43.7 -10.5 15.7 29.0 43 43 A V - 0 0 3 145,-2.0 145,-0.4 1,-0.2 144,-0.2 -0.382 42.1-148.9 -82.3 163.5 -8.3 18.5 27.6 44 44 A N S S- 0 0 72 -21,-0.6 143,-2.3 1,-0.3 2,-0.4 0.844 87.8 -15.5 -86.2 -67.9 -9.4 21.7 26.1 45 45 A N E S+ F 0 186A 12 141,-0.2 -24,-1.7 -23,-0.2 2,-0.3 -0.994 72.4 170.2-139.5 131.1 -6.4 21.9 23.6 46 46 A I E -CF 20 185A 0 139,-2.4 139,-2.8 -2,-0.4 2,-0.4 -0.996 9.7-170.8-139.2 141.4 -3.2 19.8 23.8 47 47 A L E -CF 19 184A 5 -28,-3.0 -28,-2.3 -2,-0.3 2,-0.4 -0.997 2.0-175.1-130.3 139.2 -0.3 19.3 21.4 48 48 A F E +CF 18 183A 0 135,-2.6 135,-2.5 -2,-0.4 2,-0.3 -0.992 21.6 158.4-124.6 135.4 2.6 16.8 21.6 49 49 A R E -CF 17 182A 7 -32,-2.2 -32,-2.1 -2,-0.4 2,-0.3 -0.999 31.5-165.3-161.2 156.5 5.5 16.9 19.1 50 50 A K E +CF 16 181A 0 131,-1.8 131,-1.6 -2,-0.3 -34,-0.2 -0.973 47.6 92.8-140.6 124.8 9.0 16.0 18.0 51 51 A G E S-CF 15 180A 0 -36,-2.4 -36,-2.8 -2,-0.3 2,-0.4 -0.727 72.4 -46.3-169.9-135.8 10.8 17.7 15.0 52 52 A K E - F 0 179A 71 127,-2.8 127,-2.1 -2,-0.2 2,-0.4 -0.997 34.0-156.8-130.2 128.7 13.0 20.6 14.3 53 53 A K E - 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