==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-00 1F5J . COMPND 2 MOLECULE: BETA-1,4-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOGLOMUS THERMOPHILUM; . AUTHOR A.A.MCCARTHY,E.N.BAKER . 398 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 50.8 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 . 4 1.0 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 0.3 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 0 0 0 0 0 1 1 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 . 2 0 0 0 8 4 0 2 2 2 2 2 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 2 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 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 99 0, 0.0 2,-0.4 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 168.1 27.7 3.7 -13.4 2 2 A L B +A 26 0A 40 24,-3.4 24,-2.2 1,-0.1 3,-0.1 -0.737 360.0 159.1 -89.7 136.9 25.5 0.7 -12.8 3 3 A T + 0 0 79 -2,-0.4 21,-0.5 22,-0.2 2,-0.3 0.424 61.9 46.6-133.7 -9.4 21.7 1.3 -13.1 4 4 A S S S- 0 0 75 19,-0.1 13,-0.2 1,-0.1 -1,-0.1 -0.844 109.1 -59.7-128.5 166.3 20.4 -2.3 -13.6 5 5 A N S S+ 0 0 89 -2,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.207 74.4 147.9 -49.1 128.7 21.1 -5.5 -11.8 6 6 A A E -F 17 0B 35 11,-2.0 11,-2.7 -4,-0.1 2,-0.3 -0.984 23.9-177.0-162.9 154.8 24.8 -6.3 -12.2 7 7 A S E +F 16 0B 68 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 20.6 119.5-151.2 163.7 27.7 -7.9 -10.4 8 8 A G E -F 15 0B 22 7,-1.9 7,-2.5 -2,-0.3 2,-0.4 -0.975 52.3 -74.7 169.5-158.9 31.4 -8.4 -10.9 9 9 A T E +F 14 0B 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.995 34.0 176.1-135.6 140.1 34.8 -7.7 -9.3 10 10 A F E > S-F 13 0B 98 3,-2.5 3,-1.8 -2,-0.4 22,-0.4 -0.962 72.4 -9.8-147.0 126.6 36.8 -4.5 -9.2 11 11 A D T 3 S- 0 0 89 -2,-0.3 20,-0.3 1,-0.3 3,-0.1 0.808 131.1 -52.4 57.2 31.3 40.1 -3.9 -7.4 12 12 A G T 3 S+ 0 0 47 1,-0.3 2,-0.4 19,-0.1 -1,-0.3 0.427 115.4 112.1 88.4 -1.1 39.8 -7.3 -5.7 13 13 A Y E < -F 10 0B 22 -3,-1.8 -3,-2.5 37,-0.1 2,-0.3 -0.865 64.4-129.5-110.2 141.1 36.3 -6.7 -4.3 14 14 A Y E -FG 9 49B 25 35,-2.6 35,-2.3 -2,-0.4 2,-0.3 -0.623 32.8-172.5 -80.3 142.5 33.0 -8.3 -5.4 15 15 A Y E +FG 8 48B 46 -7,-2.5 -7,-1.9 -2,-0.3 2,-0.3 -0.979 9.7 175.9-138.2 152.3 30.3 -5.8 -6.1 16 16 A E E -FG 7 47B 30 31,-2.2 31,-2.1 -2,-0.3 2,-0.5 -0.962 20.0-161.6-159.8 139.9 26.6 -6.0 -6.9 17 17 A L E +FG 6 46B 0 -11,-2.7 -11,-2.0 -2,-0.3 2,-0.4 -0.989 25.4 175.3-117.7 126.0 23.6 -3.8 -7.5 18 18 A W E + G 0 45B 59 27,-2.7 27,-3.4 -2,-0.5 2,-0.3 -1.000 8.2 148.8-136.7 137.1 20.3 -5.7 -7.1 19 19 A K E - G 0 44B 39 -2,-0.4 25,-0.2 25,-0.3 -14,-0.2 -0.981 37.2-148.3-159.4 153.9 16.7 -4.4 -7.2 20 20 A D S S- 0 0 77 23,-1.8 2,-0.3 1,-0.4 -1,-0.1 0.872 85.1 -12.3 -91.5 -47.1 13.3 -5.7 -8.2 21 21 A T S S+ 0 0 83 22,-0.4 21,-1.5 2,-0.0 -1,-0.4 -0.995 94.1 57.6-152.7 149.7 11.9 -2.3 -9.4 22 22 A G S S- 0 0 13 -2,-0.3 2,-0.6 19,-0.2 19,-0.2 -0.663 79.8 -50.4 126.0 178.7 12.9 1.3 -9.3 23 23 A N E + B 0 39A 99 16,-2.5 16,-2.0 -2,-0.2 2,-0.3 -0.857 59.9 164.6 -98.4 118.6 15.5 3.9 -10.2 24 24 A T E - B 0 38A 10 -2,-0.6 2,-0.4 -21,-0.5 14,-0.2 -0.985 16.6-177.1-137.7 144.7 19.0 2.9 -8.9 25 25 A T E + B 0 37A 39 12,-2.1 12,-1.8 -2,-0.3 2,-0.3 -0.999 4.7 177.8-142.7 139.1 22.6 4.0 -9.6 26 26 A M E -AB 2 36A 0 -24,-2.2 -24,-3.4 -2,-0.4 2,-0.4 -0.999 10.2-166.6-143.6 138.1 25.8 2.7 -8.2 27 27 A T E - B 0 35A 42 8,-2.3 8,-2.4 -2,-0.3 2,-0.4 -0.993 13.7-149.8-127.6 125.1 29.5 3.6 -8.9 28 28 A V E - B 0 34A 30 -2,-0.4 6,-0.3 6,-0.2 2,-0.2 -0.798 16.6-179.0 -97.9 133.0 32.3 1.3 -7.7 29 29 A Y > - 0 0 99 4,-3.3 3,-0.5 -2,-0.4 -19,-0.1 -0.563 37.9 -68.8-116.2-177.2 35.7 2.7 -6.7 30 30 A T G > S+ 0 0 49 1,-0.2 3,-1.6 -2,-0.2 -1,-0.2 -0.245 110.0 30.6 -72.6 163.1 38.9 1.1 -5.5 31 31 A Q G 3 S- 0 0 95 -20,-0.3 162,-0.6 1,-0.3 -1,-0.2 0.797 132.7 -63.5 59.8 33.4 39.3 -0.6 -2.1 32 32 A G G < S+ 0 0 0 -3,-0.5 -1,-0.3 -22,-0.4 -2,-0.2 0.549 96.2 144.1 72.2 6.7 35.6 -1.7 -2.0 33 33 A R < + 0 0 66 -3,-1.6 -4,-3.3 158,-0.2 2,-0.3 -0.483 19.4 162.2 -78.0 150.6 34.4 1.9 -1.9 34 34 A F E -BC 28 190A 0 156,-1.3 156,-3.1 -6,-0.3 2,-0.3 -0.980 28.8-142.3-165.0 154.6 31.2 2.8 -3.8 35 35 A S E +BC 27 189A 21 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.3 -0.879 22.9 175.6-119.5 153.3 28.5 5.4 -4.0 36 36 A C E -BC 26 188A 0 152,-2.4 152,-2.3 -2,-0.3 2,-0.3 -0.991 12.9-175.2-156.4 155.4 24.8 4.7 -4.6 37 37 A Q E -BC 25 187A 106 -12,-1.8 -12,-2.1 -2,-0.3 2,-0.3 -0.979 10.5-174.7-150.6 146.0 21.4 6.5 -4.8 38 38 A W E +BC 24 186A 6 148,-2.2 148,-2.0 -2,-0.3 2,-0.3 -0.983 8.4 167.5-146.3 155.5 17.9 5.2 -5.1 39 39 A S E +B 23 0A 41 -16,-2.0 -16,-2.5 -2,-0.3 146,-0.2 -0.968 64.4 18.6-163.3 153.6 14.3 6.4 -5.6 40 40 A N S S+ 0 0 126 -2,-0.3 2,-0.2 -18,-0.2 145,-0.1 0.838 89.0 142.8 50.5 39.0 10.9 5.0 -6.5 41 41 A I - 0 0 12 143,-0.9 -19,-0.2 -19,-0.2 -1,-0.2 -0.506 50.4-158.0-102.0 171.2 12.1 1.5 -5.6 42 42 A N S S- 0 0 49 -21,-1.5 141,-2.2 1,-0.3 2,-0.4 0.675 85.4 -10.5-106.1 -66.6 10.4 -1.4 -3.9 43 43 A N E S+ H 0 182B 20 -22,-0.3 -23,-1.8 139,-0.2 -22,-0.4 -0.995 70.6 167.9-138.9 130.3 13.6 -3.2 -2.7 44 44 A A E -GH 19 181B 0 137,-1.9 137,-2.5 -2,-0.4 2,-0.4 -1.000 11.6-167.7-143.7 141.6 17.2 -2.4 -3.7 45 45 A L E -GH 18 180B 5 -27,-3.4 -27,-2.7 -2,-0.3 2,-0.4 -0.994 1.9-172.2-131.5 137.5 20.6 -3.5 -2.4 46 46 A F E +GH 17 179B 0 133,-2.3 133,-2.8 -2,-0.4 2,-0.3 -0.998 24.6 155.7-126.7 126.8 24.1 -2.0 -3.2 47 47 A R E -GH 16 178B 7 -31,-2.1 -31,-2.2 -2,-0.4 2,-0.3 -1.000 28.8-169.8-157.3 156.4 27.2 -3.9 -1.9 48 48 A T E +GH 15 177B 0 129,-1.7 129,-2.7 -2,-0.3 2,-0.3 -0.986 36.7 106.1-140.9 145.5 30.9 -4.7 -2.1 49 49 A G E -GH 14 176B 0 -35,-2.3 -35,-2.6 -2,-0.3 2,-0.3 -0.863 57.7 -55.7-178.6-144.3 32.9 -7.3 -0.3 50 50 A K E - H 0 175B 64 125,-2.4 125,-2.2 -2,-0.3 2,-0.3 -0.945 30.9-134.8-131.6 149.6 34.6 -10.7 -0.5 51 51 A K E + H 0 174B 112 -2,-0.3 123,-0.3 123,-0.2 122,-0.1 -0.723 25.3 169.2 -98.1 154.1 33.6 -14.2 -1.5 52 52 A Y E - 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