==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-11 3RI8 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS KAWACHII; . AUTHOR S.FUSHINOBU,T.UNO,M.KITAOKA,K.HAYASHI,H.MATSUZAWA,T.WAKAGI . 182 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 46.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0.0 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 1 0 0 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 1 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 0 1 3 1 2 1 1 0 1 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 1 0 0 1 0 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 2 A A 0 0 76 0, 0.0 181,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -46.0 27.8 -6.7 38.0 2 3 A G - 0 0 64 1,-0.2 2,-0.1 19,-0.2 19,-0.1 0.880 360.0-171.3 72.7 31.3 31.2 -7.3 39.9 3 4 A I + 0 0 21 17,-0.3 40,-0.2 1,-0.1 -1,-0.2 -0.391 19.7 161.8 -53.5 121.2 30.5 -4.0 41.8 4 5 A N + 0 0 95 38,-2.1 2,-0.4 1,-0.2 39,-0.2 0.244 49.9 60.9-130.2 18.0 33.6 -3.1 43.9 5 6 A Y E -A 42 0A 59 37,-1.8 37,-2.1 15,-0.1 2,-0.5 -0.992 57.4-154.1-147.2 139.6 33.3 0.6 44.7 6 7 A V E -A 41 0A 40 -2,-0.4 2,-0.6 35,-0.2 35,-0.2 -0.948 15.4-149.0-111.1 123.5 30.7 2.6 46.6 7 8 A Q E +A 40 0A 8 33,-2.5 33,-2.0 -2,-0.5 2,-0.4 -0.805 26.0 163.1 -94.9 124.6 30.5 6.3 45.6 8 9 A N E +A 39 0A 87 -2,-0.6 2,-0.6 31,-0.2 31,-0.2 -0.805 6.0 162.4-141.5 99.6 29.5 8.5 48.4 9 10 A Y E S-A 38 0A 88 29,-2.5 29,-2.1 -2,-0.4 -2,-0.0 -0.941 86.6 -26.9-120.6 108.2 30.1 12.2 48.1 10 11 A N S > S+ 0 0 59 -2,-0.6 3,-1.9 27,-0.2 -1,-0.1 0.794 84.6 153.0 56.6 32.6 28.0 14.0 50.7 11 12 A G G > + 0 0 1 1,-0.3 3,-2.3 27,-0.2 5,-0.1 0.865 60.1 75.1 -59.8 -32.2 25.5 11.2 50.7 12 13 A N G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.648 74.3 78.7 -55.6 -14.0 24.7 12.2 54.3 13 14 A L G < S+ 0 0 71 -3,-1.9 -1,-0.3 23,-0.1 2,-0.2 0.522 113.6 5.0 -69.1 -2.1 22.7 15.2 53.0 14 15 A G S < S- 0 0 26 -3,-2.3 2,-0.7 -4,-0.1 15,-0.2 -0.785 103.3 -66.4-155.4-158.6 19.9 12.6 52.2 15 16 A D E -H 28 0B 97 13,-2.6 13,-1.3 -2,-0.2 2,-0.6 -0.866 49.0-179.9-114.7 100.8 19.2 9.0 52.8 16 17 A F E +H 27 0B 28 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.910 4.5 169.9-106.0 119.3 21.6 6.7 50.9 17 18 A T E +H 26 0B 82 9,-1.9 9,-2.9 -2,-0.6 2,-0.3 -0.957 7.2 166.6-121.6 148.8 21.2 2.9 51.1 18 19 A Y E -H 25 0B 98 -2,-0.3 2,-0.4 7,-0.3 7,-0.3 -0.995 29.4-153.5-153.5 160.6 22.9 0.4 49.0 19 20 A D E >>> -H 24 0B 72 5,-2.7 5,-1.6 -2,-0.3 4,-0.8 -0.880 10.4-163.9-137.5 109.5 23.8 -3.3 48.6 20 21 A E T 345S+ 0 0 93 -2,-0.4 3,-0.4 1,-0.2 -17,-0.3 0.837 87.8 50.5 -60.8 -39.7 27.0 -4.0 46.7 21 22 A S T 345S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.1 -19,-0.2 0.770 115.9 42.4 -78.6 -23.4 26.4 -7.7 46.0 22 23 A A T <45S- 0 0 52 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.463 105.0-131.4 -86.7 -12.0 22.9 -7.0 44.7 23 24 A G T <5 + 0 0 2 -4,-0.8 158,-2.2 -3,-0.4 2,-0.3 0.852 62.7 127.5 62.9 33.2 24.1 -4.0 42.7 24 25 A T E < +HI 19 180B 48 -5,-1.6 -5,-2.7 156,-0.2 2,-0.3 -0.899 28.9 167.2-121.2 153.6 21.2 -1.8 44.1 25 26 A F E -HI 18 179B 2 154,-2.2 154,-3.0 -2,-0.3 2,-0.3 -0.978 13.9-158.8-154.9 156.5 21.1 1.5 45.8 26 27 A S E -HI 17 178B 26 -9,-2.9 -9,-1.9 -2,-0.3 2,-0.3 -0.951 3.4-170.3-129.1 156.5 18.5 4.2 46.7 27 28 A M E -HI 16 177B 0 150,-2.5 150,-1.9 -2,-0.3 2,-0.4 -0.953 1.8-173.6-148.7 128.6 18.8 7.8 47.5 28 29 A Y E +HI 15 176B 86 -13,-1.3 -13,-2.6 -2,-0.3 148,-0.2 -0.972 16.2 168.9-121.9 129.2 16.0 10.1 49.0 29 30 A W > + 0 0 4 146,-2.6 3,-1.8 -2,-0.4 146,-0.5 -0.357 21.1 154.3-133.8 50.5 16.4 13.8 49.4 30 31 A E T 3 S+ 0 0 115 1,-0.3 3,-0.1 144,-0.2 144,-0.1 0.730 70.5 49.5 -49.3 -33.9 12.7 14.3 50.1 31 32 A D T 3 S- 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.567 114.3-114.4 -87.8 -10.4 13.3 17.5 52.1 32 33 A G < - 0 0 25 -3,-1.8 2,-0.3 143,-0.2 -1,-0.3 -0.293 24.5-132.4 96.9 167.9 15.5 19.1 49.5 33 34 A V B -L 173 0C 23 140,-0.9 140,-0.7 -2,-0.1 138,-0.1 -0.930 9.8-157.6-146.3 161.8 19.2 19.9 49.8 34 35 A S S S+ 0 0 119 -2,-0.3 2,-0.3 138,-0.2 138,-0.1 0.040 74.0 66.9-136.0 30.6 21.2 23.0 48.9 35 36 A S S S- 0 0 66 -25,-0.1 2,-0.3 -22,-0.1 135,-0.1 -0.976 90.4 -89.8-138.2 164.1 24.5 21.4 48.5 36 37 A N + 0 0 49 -2,-0.3 2,-0.3 135,-0.1 135,-0.2 -0.461 42.0 173.5 -75.3 124.4 26.0 19.0 46.0 37 38 A F E - B 0 170A 0 133,-2.5 133,-1.3 -2,-0.3 2,-0.4 -0.968 10.2-173.7-120.1 153.7 25.8 15.1 46.6 38 39 A V E +AB 9 169A 4 -29,-2.1 -29,-2.5 -2,-0.3 2,-0.3 -0.958 15.5 168.1-141.7 118.2 26.8 12.3 44.2 39 40 A V E +AB 8 168A 0 129,-2.8 129,-2.5 -2,-0.4 2,-0.3 -0.969 13.7 99.8-129.4 155.8 26.1 8.7 45.2 40 41 A G E -AB 7 167A 0 -33,-2.0 -33,-2.5 -2,-0.3 2,-0.3 -0.995 52.9 -83.4 164.6-167.8 26.1 5.4 43.5 41 42 A L E +AB 6 166A 0 125,-1.4 125,-2.5 -2,-0.3 2,-0.2 -0.976 52.8 109.2-131.4 151.6 27.8 2.1 42.8 42 43 A G E -AB 5 165A 0 -37,-2.1 -38,-2.1 -2,-0.3 -37,-1.8 -0.756 57.6 -48.4 178.5-139.9 30.4 1.1 40.3 43 44 A W E - B 0 164A 49 121,-2.4 121,-2.1 -2,-0.2 -40,-0.1 -0.933 33.4-127.3-135.9 141.1 34.1 -0.0 39.8 44 45 A T S S+ 0 0 72 -2,-0.3 2,-0.4 119,-0.2 -1,-0.1 0.752 104.3 40.9 -64.5 -22.9 37.4 1.4 41.1 45 46 A T S S- 0 0 91 119,-0.1 118,-0.2 118,-0.1 -1,-0.2 -0.985 86.2-138.2-127.9 122.9 38.6 1.5 37.5 46 47 A G + 0 0 5 116,-2.8 2,-0.3 -2,-0.4 115,-0.2 -0.202 23.3 176.9 -71.5 160.7 36.4 2.6 34.7 47 48 A S - 0 0 39 2,-0.2 97,-0.0 112,-0.0 112,-0.0 -0.940 43.3-102.9-149.3-176.6 36.2 0.9 31.3 48 49 A S S S+ 0 0 58 -2,-0.3 97,-0.9 96,-0.1 98,-0.1 0.290 72.6 128.3 -94.1 17.6 34.4 1.2 28.1 49 50 A N - 0 0 117 95,-0.2 95,-0.3 1,-0.1 -2,-0.2 -0.381 68.1 -98.3 -70.1 151.2 32.1 -1.9 28.8 50 51 A A - 0 0 57 93,-0.2 2,-0.5 94,-0.1 93,-0.2 -0.334 33.5-146.4 -58.4 147.3 28.4 -1.4 28.4 51 52 A I E -J 142 0B 8 91,-2.6 91,-3.2 -3,-0.1 2,-0.5 -0.977 8.4-163.0-119.9 126.3 26.3 -0.7 31.5 52 53 A T E +J 141 0B 55 -2,-0.5 130,-2.5 130,-0.4 2,-0.3 -0.905 19.9 165.4-105.0 130.5 22.8 -1.9 31.9 53 54 A Y E -JK 140 181B 3 87,-2.5 87,-2.4 -2,-0.5 2,-0.3 -0.898 26.0-156.1-136.3 169.3 20.6 -0.3 34.6 54 55 A S E +JK 139 180B 63 126,-2.4 126,-2.7 -2,-0.3 2,-0.3 -0.979 26.9 165.7-145.2 129.2 17.0 -0.0 35.7 55 56 A A E - K 0 179B 13 83,-2.6 2,-0.4 -2,-0.3 124,-0.2 -0.939 38.6-142.4-143.3 161.8 15.7 2.8 37.9 56 57 A E E + K 0 178B 146 122,-2.2 122,-2.6 -2,-0.3 2,-0.4 -0.995 35.9 175.1-116.3 135.7 12.8 4.8 39.3 57 58 A Y E + K 0 177B 27 -2,-0.4 2,-0.5 120,-0.2 120,-0.2 -0.984 15.4 175.5-149.9 121.9 13.8 8.4 39.3 58 59 A S E + K 0 176B 76 118,-2.7 118,-2.0 -2,-0.4 28,-0.1 -0.938 29.2 126.0-137.0 107.4 11.7 11.3 40.3 59 60 A A > + 0 0 5 -2,-0.5 3,-1.4 116,-0.2 28,-0.3 -0.000 16.0 133.8-156.5 32.9 13.4 14.7 40.3 60 61 A S T 3 S+ 0 0 108 1,-0.3 115,-0.1 26,-0.1 4,-0.0 0.853 82.6 48.4 -66.4 -27.1 11.4 17.0 38.2 61 62 A G T 3 S+ 0 0 58 113,-0.3 2,-0.3 25,-0.1 -1,-0.3 0.627 106.7 81.6 -75.4 -7.4 11.6 19.6 41.0 62 63 A S S < S- 0 0 0 -3,-1.4 25,-1.8 112,-0.2 2,-1.1 -0.697 78.5-127.2-116.2 138.0 15.4 19.2 41.3 63 64 A S E S+C 172 0A 12 109,-1.3 108,-2.1 -2,-0.3 109,-0.7 -0.769 71.1 129.6 -72.6 101.3 18.7 20.2 39.8 64 65 A S E -C 170 0A 0 -2,-1.1 22,-1.9 106,-0.2 2,-0.3 -0.991 45.8-149.8-157.0 154.6 19.7 16.5 39.5 65 66 A Y E -CD 169 85A 10 104,-2.1 104,-2.0 -2,-0.3 2,-0.5 -0.972 11.2-154.3-132.4 152.1 21.1 13.8 37.1 66 67 A L E +CD 168 84A 0 18,-2.6 17,-2.6 -2,-0.3 18,-1.6 -0.986 51.6 142.3-116.6 113.2 20.8 10.1 36.7 67 68 A A E -CD 167 82A 2 100,-2.3 100,-3.7 -2,-0.5 2,-0.5 -0.960 64.7-105.9-154.2 154.5 24.1 9.3 34.9 68 69 A V E -CD 166 81A 0 13,-2.2 13,-2.6 -2,-0.3 2,-0.3 -0.817 53.8-177.2 -80.0 130.2 27.1 7.2 34.3 69 70 A Y E +CD 165 80A 11 96,-2.7 96,-3.0 -2,-0.5 2,-0.3 -0.974 14.6 128.3-135.6 143.3 29.7 9.3 36.1 70 71 A G E -CD 164 79A 0 9,-1.6 9,-2.4 -2,-0.3 2,-0.3 -0.985 38.6-110.5-178.2-173.4 33.5 8.8 36.4 71 72 A W E - 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