==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDE HYDROLASE 11-MAY-01 1H4H . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR E.SABINI,K.S.WILSON,S.DANIELSEN,M.SCHULEIN,G.J.DAVIES . 831 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 401 48.3 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 0.1 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 . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 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 . 2 8 0 4 12 8 0 4 8 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 2 2 0 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 X 0 0 120 0, 0.0 29,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -12.8 -9.5 -16.8 42.1 2 2 A I E -A 29 0A 117 27,-0.2 2,-0.4 25,-0.0 27,-0.2 -0.882 360.0-173.8 -77.5 122.9 -5.7 -18.1 42.3 3 3 A V E +A 28 0A 15 25,-2.7 25,-2.8 -2,-0.4 4,-0.1 -0.997 18.6 161.6-125.2 126.5 -3.6 -17.4 39.1 4 4 A T + 0 0 86 -2,-0.4 22,-0.4 23,-0.2 2,-0.3 0.331 62.8 35.9-131.4 15.8 -0.1 -18.8 38.6 5 5 A D S S- 0 0 109 20,-0.1 13,-0.1 23,-0.1 23,-0.1 -0.899 105.0 -47.6-154.6 172.7 0.6 -18.6 34.8 6 6 A N + 0 0 81 -2,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.114 69.5 151.7 -49.0 127.0 -0.2 -16.3 31.9 7 7 A S E -G 18 0B 37 11,-2.3 11,-2.4 -4,-0.1 2,-0.4 -0.961 28.7-168.7-165.3 140.6 -3.9 -15.4 31.9 8 8 A I E +G 17 0B 99 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 34.8 117.0-133.1 125.7 -6.2 -12.6 30.7 9 9 A G E -G 16 0B 23 7,-1.7 7,-2.5 -2,-0.4 2,-0.4 -0.882 58.1 -85.4-158.4-160.2 -9.8 -12.4 31.7 10 10 A N E -G 15 0B 93 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.968 34.4-176.3-124.8 130.7 -12.4 -10.4 33.6 11 11 A H E > -G 14 0B 51 3,-3.5 3,-1.3 -2,-0.4 20,-0.1 -0.895 69.3 -20.8-136.4 116.9 -13.0 -10.7 37.3 12 12 A D T 3 S- 0 0 103 -2,-0.4 21,-0.1 1,-0.2 -1,-0.1 0.864 129.7 -47.0 59.0 38.0 -15.7 -8.9 39.3 13 13 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 194,-0.1 -1,-0.2 -0.122 119.2 105.2 94.7 -18.7 -16.0 -6.3 36.6 14 14 A Y E < S-G 11 0B 14 -3,-1.3 -3,-3.5 19,-0.4 2,-0.6 -0.552 71.2-126.0-105.2 144.2 -12.3 -5.7 36.2 15 15 A D E -GH 10 51B 28 36,-3.1 36,-2.1 -2,-0.3 2,-0.3 -0.697 36.4-170.2 -81.3 113.0 -10.0 -6.8 33.4 16 16 A Y E -GH 9 50B 31 -7,-2.5 -7,-1.7 -2,-0.6 2,-0.3 -0.800 8.6-172.8-108.1 155.6 -7.2 -8.7 35.1 17 17 A E E -GH 8 49B 16 32,-2.3 32,-1.8 -2,-0.3 2,-0.4 -0.975 13.2-168.0-149.0 131.9 -3.9 -10.0 33.6 18 18 A F E +GH 7 48B 0 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.3 -0.990 22.6 168.3-109.8 131.4 -1.1 -12.1 34.9 19 19 A W E + H 0 47B 60 28,-2.1 28,-2.6 -2,-0.4 2,-0.3 -0.966 5.3 154.7-142.7 128.9 2.0 -12.1 32.7 20 20 A K E - H 0 46B 30 -2,-0.3 26,-0.2 26,-0.2 -14,-0.1 -0.951 32.6-132.2-142.7 159.1 5.6 -13.4 33.2 21 21 A D - 0 0 49 24,-1.7 23,-0.2 -2,-0.3 -15,-0.0 -0.358 59.0 -57.6 -89.9-168.4 8.4 -14.5 31.0 22 22 A S S S+ 0 0 86 -2,-0.1 22,-0.2 21,-0.1 23,-0.2 -0.453 96.3 57.2 -75.8 153.3 10.2 -17.8 31.9 23 23 A G S S+ 0 0 35 1,-0.3 21,-0.5 20,-0.1 22,-0.1 0.272 85.9 13.8 108.0 135.7 11.9 -18.3 35.2 24 24 A G S S- 0 0 42 19,-0.2 -1,-0.3 16,-0.1 2,-0.3 -0.203 81.3 -95.5 69.9-166.7 10.9 -18.1 38.9 25 25 A S E - B 0 41A 58 16,-2.1 16,-3.0 -3,-0.1 2,-0.3 -0.928 28.2-163.8-147.3 167.4 7.2 -18.1 39.9 26 26 A G E - B 0 40A 2 -22,-0.4 2,-0.4 -2,-0.3 14,-0.2 -0.970 5.6-157.1-149.6 159.8 4.4 -15.8 40.8 27 27 A T E - B 0 39A 41 12,-2.6 12,-2.0 -2,-0.3 2,-0.4 -0.997 6.9-173.8-137.8 131.6 0.9 -16.0 42.4 28 28 A M E -AB 3 38A 0 -25,-2.8 -25,-2.7 -2,-0.4 2,-0.5 -0.935 8.5-159.1-121.9 132.0 -1.9 -13.5 41.9 29 29 A I E -AB 2 37A 58 8,-2.2 8,-1.9 -2,-0.4 2,-0.6 -0.975 15.7-137.6-115.0 122.5 -5.1 -13.8 43.9 30 30 A L E - B 0 36A 11 -29,-2.9 6,-0.2 -2,-0.5 2,-0.2 -0.658 29.4-179.5 -81.5 108.9 -8.2 -12.1 42.4 31 31 A N - 0 0 63 4,-2.0 4,-0.1 -2,-0.6 164,-0.0 -0.444 40.4 -49.3-102.0-177.0 -10.1 -10.2 45.2 32 32 A H S > S- 0 0 130 -2,-0.2 3,-1.9 2,-0.1 2,-0.3 -0.272 103.0 -26.2 -56.4 139.5 -13.3 -8.1 45.1 33 33 A G T 3 S- 0 0 17 1,-0.3 -19,-0.4 -21,-0.1 -22,-0.1 -0.422 132.7 -14.0 58.0-132.0 -13.6 -5.4 42.4 34 34 A G T 3 S+ 0 0 3 163,-0.5 -1,-0.3 -2,-0.3 16,-0.1 0.373 109.6 115.4 -82.7 2.6 -10.2 -4.0 41.3 35 35 A T < + 0 0 6 -3,-1.9 -4,-2.0 160,-0.1 2,-0.3 -0.322 31.3 144.5 -87.0 153.7 -8.4 -5.7 44.3 36 36 A F E -BC 30 194A 0 158,-1.8 158,-2.8 -6,-0.2 2,-0.3 -0.930 34.6-129.3-170.8 161.3 -5.8 -8.4 44.1 37 37 A S E -BC 29 193A 27 -8,-1.9 -8,-2.2 -2,-0.3 2,-0.4 -0.858 19.5-162.6-122.6 157.8 -2.6 -9.7 45.8 38 38 A A E +BC 28 192A 3 154,-3.1 154,-2.3 -2,-0.3 2,-0.3 -0.993 10.8 179.4-142.1 145.6 0.6 -10.7 44.2 39 39 A Q E -BC 27 191A 82 -12,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.990 10.9-178.9-143.7 135.8 3.7 -12.7 45.2 40 40 A W E -BC 26 190A 1 150,-2.8 150,-2.2 -2,-0.3 2,-0.4 -0.986 9.6-164.6-139.9 156.8 6.7 -13.3 43.0 41 41 A N E -B 25 0A 62 -16,-3.0 -16,-2.1 -2,-0.3 148,-0.2 -0.958 66.6 -24.1-147.5 119.8 10.0 -15.2 43.3 42 42 A N S S+ 0 0 74 -2,-0.4 147,-0.2 -18,-0.2 2,-0.1 0.872 85.4 164.0 54.4 43.8 13.2 -15.1 41.3 43 43 A V - 0 0 1 145,-1.7 145,-0.4 1,-0.2 144,-0.3 -0.506 43.6-150.1 -90.7 167.1 11.5 -13.8 38.3 44 44 A N S S- 0 0 34 -21,-0.5 143,-2.1 1,-0.3 2,-0.4 0.892 86.9 -12.9 -89.3 -61.0 12.9 -12.2 35.2 45 45 A N E S+ I 0 186B 10 141,-0.2 -24,-1.7 -23,-0.2 2,-0.4 -0.984 71.3 168.8-144.2 124.4 9.9 -10.0 34.4 46 46 A I E -HI 20 185B 0 139,-2.2 139,-2.6 -2,-0.4 2,-0.4 -0.988 9.2-172.4-136.1 143.7 6.4 -10.3 36.0 47 47 A L E -HI 19 184B 5 -28,-2.6 -28,-2.1 -2,-0.4 2,-0.4 -0.997 2.8-175.7-134.4 132.2 3.3 -8.0 35.9 48 48 A F E +HI 18 183B 0 135,-2.3 135,-2.8 -2,-0.4 2,-0.3 -0.995 21.7 156.6-126.6 134.2 0.0 -8.3 37.8 49 49 A R E -HI 17 182B 6 -32,-1.8 -32,-2.3 -2,-0.4 2,-0.4 -0.996 31.1-162.1-159.5 154.8 -2.9 -5.9 37.2 50 50 A K E +HI 16 181B 0 131,-1.6 131,-1.4 -2,-0.3 -34,-0.2 -0.993 48.4 91.6-136.1 125.5 -6.6 -5.1 37.3 51 51 A G E S-HI 15 180B 0 -36,-2.1 -36,-3.1 -2,-0.4 2,-0.4 -0.682 73.0 -42.2-171.8-130.9 -8.2 -2.3 35.2 52 52 A K E - I 0 179B 63 127,-2.7 127,-2.1 -2,-0.2 2,-0.3 -0.973 31.9-156.1-133.2 132.4 -9.9 -2.0 31.8 53 53 A K E - 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