==== 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 1QH6 . 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) . 17142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 72.7 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 . 202 48.8 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 . 6 1.4 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 . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 3.4 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 2 5 4 0 2 3 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 0 0 0 0 1 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 0 127 0, 0.0 29,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -10.8 12.2 12.2 29.9 2 2 A I E -A 29 0A 114 27,-0.2 2,-0.5 25,-0.0 27,-0.2 -0.966 360.0-172.8 -89.4 115.8 8.4 12.2 31.4 3 3 A V E +A 28 0A 13 25,-2.8 25,-3.3 -2,-0.5 3,-0.1 -0.987 23.9 154.5-125.4 117.3 6.5 15.4 30.4 4 4 A T + 0 0 83 -2,-0.5 22,-0.4 23,-0.2 2,-0.3 0.189 66.2 41.8-127.0 16.1 3.1 16.1 31.9 5 5 A D S S- 0 0 108 23,-0.1 13,-0.1 20,-0.1 23,-0.1 -0.947 106.7 -53.6-155.4 163.1 3.0 19.9 31.5 6 6 A N S S+ 0 0 81 -2,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.159 70.2 153.1 -45.7 127.0 4.0 22.5 29.0 7 7 A S E -G 18 0B 38 11,-1.9 11,-2.3 -4,-0.1 2,-0.4 -0.988 29.2-165.3-161.0 144.6 7.6 22.0 28.0 8 8 A I E +G 17 0B 101 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 34.2 114.5-131.3 133.2 9.9 22.7 25.1 9 9 A G E -G 16 0B 22 7,-2.2 7,-2.7 -2,-0.4 2,-0.4 -0.954 58.9 -85.1-170.3-164.3 13.4 21.1 24.7 10 10 A N E -G 15 0B 93 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.976 34.9-177.1-125.7 131.8 15.6 18.8 22.7 11 11 A H E > S-G 14 0B 50 3,-2.8 3,-2.1 -2,-0.4 20,-0.1 -0.986 71.9 -20.0-137.4 114.8 15.6 15.1 23.4 12 12 A D T 3 S- 0 0 104 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.857 129.7 -48.6 55.1 42.4 17.9 12.7 21.6 13 13 A G T 3 S+ 0 0 14 1,-0.2 2,-0.4 194,-0.2 -1,-0.3 0.252 117.3 106.6 84.5 -8.5 18.4 15.3 18.8 14 14 A Y E < S-G 11 0B 9 -3,-2.1 -3,-2.8 19,-0.3 2,-0.6 -0.822 72.2-124.0-101.9 136.5 14.7 16.1 18.2 15 15 A D E -GH 10 51B 25 36,-3.3 36,-2.3 -2,-0.4 2,-0.3 -0.716 38.0-166.0 -73.6 114.2 13.0 19.3 19.3 16 16 A Y E -GH 9 50B 32 -7,-2.7 -7,-2.2 -2,-0.6 2,-0.3 -0.825 10.6-176.7-100.3 156.1 10.2 18.1 21.5 17 17 A E E -GH 8 49B 17 32,-2.1 32,-2.2 -2,-0.3 2,-0.4 -0.991 15.8-167.9-153.8 141.5 7.2 20.0 22.8 18 18 A F E +GH 7 48B 1 -11,-2.3 -11,-1.9 -2,-0.3 2,-0.4 -0.992 21.9 174.2-122.0 122.4 4.2 19.3 25.0 19 19 A W E + H 0 47B 59 28,-2.3 28,-3.0 -2,-0.4 2,-0.3 -0.987 6.8 151.9-140.0 128.6 1.5 22.0 24.8 20 20 A K E - H 0 46B 24 -2,-0.4 26,-0.2 26,-0.2 2,-0.1 -0.976 32.4-134.0-147.3 156.5 -1.9 22.2 26.4 21 21 A D - 0 0 45 24,-1.6 23,-0.2 -2,-0.3 -15,-0.0 -0.330 59.2 -53.0 -92.7-173.5 -4.4 24.8 27.6 22 22 A S S S+ 0 0 107 -2,-0.1 22,-0.3 21,-0.1 -1,-0.2 -0.273 97.0 42.6 -68.8 146.1 -6.1 24.5 31.0 23 23 A G S S+ 0 0 45 1,-0.3 21,-0.6 20,-0.1 22,-0.1 0.250 86.1 27.4 98.9 147.6 -8.0 21.4 32.0 24 24 A G S S- 0 0 43 19,-0.2 2,-0.3 20,-0.1 -1,-0.3 -0.202 78.7 -93.1 65.3-164.9 -7.6 17.6 31.8 25 25 A S E - B 0 41A 61 16,-2.3 16,-2.8 -3,-0.1 2,-0.3 -0.989 26.5-166.4-149.1 160.7 -4.2 16.0 31.6 26 26 A G E - B 0 40A 3 -22,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.990 5.1-160.9-147.6 150.3 -1.6 14.6 29.4 27 27 A T E - B 0 39A 52 12,-2.6 12,-1.8 -2,-0.3 2,-0.4 -0.983 7.6-175.1-135.5 123.3 1.5 12.4 29.6 28 28 A M E -AB 3 38A 0 -25,-3.3 -25,-2.8 -2,-0.4 2,-0.6 -0.962 8.2-160.7-117.4 127.6 4.2 12.4 27.0 29 29 A I E -AB 2 37A 68 8,-2.4 8,-2.1 -2,-0.4 2,-0.6 -0.959 16.1-139.3-108.5 119.5 7.1 9.9 27.3 30 30 A L E - B 0 36A 9 -29,-2.8 6,-0.2 -2,-0.6 2,-0.1 -0.698 28.7-179.8 -81.5 114.8 10.2 10.9 25.3 31 31 A N - 0 0 60 4,-1.7 4,-0.1 -2,-0.6 164,-0.0 -0.331 39.3 -47.1-104.2-178.6 11.7 7.8 23.7 32 32 A H S > S- 0 0 135 -2,-0.1 3,-2.2 2,-0.1 -1,-0.2 -0.190 102.1 -25.2 -55.2 142.0 14.7 7.3 21.4 33 33 A G T 3 S- 0 0 17 1,-0.3 -19,-0.3 -3,-0.1 -22,-0.1 -0.279 132.6 -14.6 60.9-130.3 15.3 9.5 18.4 34 34 A G T 3 S+ 0 0 3 163,-0.6 -1,-0.3 172,-0.1 162,-0.1 0.381 110.9 114.6 -85.5 1.6 12.0 11.1 17.1 35 35 A T < + 0 0 9 -3,-2.2 -4,-1.7 160,-0.1 2,-0.3 -0.393 30.9 148.3 -83.3 156.6 9.9 8.6 19.1 36 36 A F E -BC 30 194A 0 158,-1.5 158,-2.4 -6,-0.2 2,-0.3 -0.966 33.4-130.4-170.1 159.2 7.5 9.3 21.9 37 37 A S E -BC 29 193A 28 -8,-2.1 -8,-2.4 -2,-0.3 2,-0.3 -0.891 22.7-164.6-121.3 153.1 4.3 8.0 23.5 38 38 A A E +BC 28 192A 3 154,-2.9 154,-2.6 -2,-0.3 2,-0.3 -0.999 12.7 178.7-138.7 148.0 1.3 10.1 24.5 39 39 A Q E -BC 27 191A 131 -12,-1.8 -12,-2.6 -2,-0.3 2,-0.3 -0.988 10.1-178.1-146.1 135.5 -1.8 9.7 26.6 40 40 A W E -BC 26 190A 6 150,-2.7 150,-2.4 -2,-0.3 2,-0.4 -0.982 7.8-166.8-139.7 155.8 -4.5 12.4 27.2 41 41 A N E -B 25 0A 78 -16,-2.8 -16,-2.3 -2,-0.3 148,-0.2 -0.982 66.4 -22.6-150.2 122.3 -7.6 12.6 29.2 42 42 A N S S+ 0 0 116 -2,-0.4 147,-0.2 -18,-0.2 2,-0.1 0.809 84.4 161.7 50.0 44.3 -10.5 15.2 29.2 43 43 A V - 0 0 7 145,-1.7 145,-0.4 1,-0.2 144,-0.2 -0.428 44.3-146.4 -84.9 166.4 -8.4 18.0 27.7 44 44 A N S S- 0 0 54 -21,-0.6 143,-2.6 1,-0.3 2,-0.4 0.839 87.7 -14.7 -85.6 -71.9 -9.6 21.1 26.0 45 45 A N E S+ I 0 186B 12 141,-0.2 -24,-1.6 -23,-0.2 2,-0.3 -0.991 71.8 171.2-133.0 132.2 -6.6 21.2 23.5 46 46 A I E -HI 20 185B 0 139,-2.5 139,-2.7 -2,-0.4 2,-0.4 -0.997 8.7-172.3-140.0 140.5 -3.4 19.2 23.7 47 47 A L E -HI 19 184B 3 -28,-3.0 -28,-2.3 -2,-0.3 2,-0.4 -0.999 2.1-174.5-131.1 138.1 -0.5 18.7 21.3 48 48 A F E +HI 18 183B 0 135,-2.5 135,-2.6 -2,-0.4 2,-0.3 -0.995 21.4 159.6-122.9 132.8 2.5 16.4 21.6 49 49 A R E -HI 17 182B 4 -32,-2.2 -32,-2.1 -2,-0.4 2,-0.4 -0.999 30.6-164.2-158.1 155.7 5.4 16.5 19.0 50 50 A K E +HI 16 181B 0 131,-1.7 131,-1.5 -2,-0.3 2,-0.2 -0.987 47.2 93.9-141.8 122.2 9.0 15.7 18.0 51 51 A G E S-HI 15 180B 0 -36,-2.3 -36,-3.3 -2,-0.4 2,-0.4 -0.783 71.4 -45.6-163.5-136.8 10.7 17.4 15.1 52 52 A K E - I 0 179B 71 127,-2.7 127,-1.9 -2,-0.2 2,-0.4 -0.979 33.1-157.8-126.1 131.1 12.9 20.3 14.3 53 53 A K E - 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