==== 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 3RI9 . 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) . 7798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 74.2 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 . 85 46.7 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 . 18 9.9 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 . 0 0 0 1 2 1 3 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 77 0, 0.0 181,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -48.0 27.8 -6.8 38.0 2 3 A G - 0 0 64 1,-0.2 2,-0.1 19,-0.2 19,-0.1 0.889 360.0-173.1 68.3 35.6 31.2 -7.3 40.0 3 4 A I + 0 0 21 17,-0.4 40,-0.2 1,-0.1 -1,-0.2 -0.435 18.8 161.7 -59.7 129.1 30.6 -4.0 41.8 4 5 A N + 0 0 95 38,-2.4 2,-0.4 1,-0.1 39,-0.2 0.308 50.1 63.0-135.2 15.7 33.7 -3.1 43.8 5 6 A Y E -A 42 0A 61 37,-2.1 37,-2.3 159,-0.1 2,-0.6 -0.995 58.0-154.2-142.4 139.1 33.4 0.5 44.6 6 7 A V E -A 41 0A 40 -2,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.939 13.5-150.5-111.5 123.2 30.9 2.6 46.5 7 8 A Q E +A 40 0A 9 33,-2.2 33,-1.9 -2,-0.6 2,-0.3 -0.726 26.2 160.9 -94.7 120.2 30.5 6.2 45.5 8 9 A N E +A 39 0A 83 -2,-0.5 2,-0.7 31,-0.2 31,-0.2 -0.719 5.8 163.3-142.4 97.8 29.5 8.5 48.4 9 10 A Y E S-A 38 0A 93 29,-3.2 29,-2.3 -2,-0.3 -2,-0.0 -0.949 86.7 -25.5-116.0 108.7 30.1 12.2 48.1 10 11 A N S > S+ 0 0 60 -2,-0.7 3,-1.9 27,-0.2 -1,-0.2 0.791 84.8 153.1 56.4 33.8 28.0 14.0 50.8 11 12 A G G > + 0 0 1 1,-0.3 3,-1.9 27,-0.2 5,-0.1 0.795 59.2 75.7 -61.8 -28.1 25.5 11.1 50.8 12 13 A N G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.508 74.2 80.5 -62.8 -4.3 24.7 12.0 54.4 13 14 A L G < S+ 0 0 68 -3,-1.9 -1,-0.3 23,-0.1 2,-0.2 0.411 112.3 2.3 -77.9 -0.2 22.6 15.0 53.0 14 15 A G S < S- 0 0 29 -3,-1.9 2,-0.7 -4,-0.1 15,-0.2 -0.778 103.0 -63.3-156.8-153.9 19.9 12.4 52.3 15 16 A D E +H 28 0B 96 13,-2.6 13,-1.9 -2,-0.2 2,-0.5 -0.877 50.0 178.5-117.3 103.9 19.2 8.8 52.8 16 17 A F E +H 27 0B 29 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.915 3.9 169.0-112.9 117.6 21.5 6.5 50.9 17 18 A T E +H 26 0B 81 9,-1.9 9,-2.5 -2,-0.5 2,-0.3 -0.958 7.1 166.7-123.9 151.3 21.3 2.7 51.1 18 19 A Y E -H 25 0B 97 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.996 29.1-152.6-157.1 163.0 23.0 0.2 49.0 19 20 A D E >> -H 24 0B 69 5,-3.1 5,-1.7 -2,-0.3 4,-1.2 -0.874 8.6-164.7-142.1 111.1 24.0 -3.4 48.6 20 21 A E T 45S+ 0 0 93 -2,-0.3 -17,-0.4 1,-0.2 3,-0.3 0.865 89.0 50.7 -64.0 -40.7 27.1 -4.2 46.5 21 22 A S T 45S+ 0 0 117 1,-0.3 -1,-0.2 2,-0.1 -19,-0.2 0.813 115.8 42.0 -75.6 -25.9 26.5 -7.8 46.0 22 23 A A T 45S- 0 0 52 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.544 105.0-129.5 -86.7 -17.0 23.0 -7.2 44.6 23 24 A G T <5 + 0 0 1 -4,-1.2 158,-2.4 -3,-0.3 2,-0.3 0.829 64.1 125.5 76.5 25.1 24.1 -4.2 42.6 24 25 A T E < +HI 19 180B 48 -5,-1.7 -5,-3.1 156,-0.2 2,-0.3 -0.918 29.3 166.6-123.1 149.5 21.3 -1.9 44.0 25 26 A F E -HI 18 179B 1 154,-2.1 154,-3.0 -2,-0.3 2,-0.3 -0.972 13.7-158.4-149.8 159.9 21.2 1.4 45.8 26 27 A S E -HI 17 178B 25 -9,-2.5 -9,-1.9 -2,-0.3 2,-0.4 -0.960 1.6-166.4-134.0 151.6 18.5 4.0 46.7 27 28 A M E -HI 16 177B 0 150,-2.6 150,-2.2 -2,-0.3 2,-0.5 -0.959 4.1-171.7-143.9 123.3 18.8 7.6 47.5 28 29 A Y E +HI 15 176B 92 -13,-1.9 -13,-2.6 -2,-0.4 148,-0.2 -0.955 18.5 162.1-118.3 123.7 16.0 9.7 49.1 29 30 A W E > + I 0 175B 5 146,-2.6 3,-1.7 -2,-0.5 146,-0.6 -0.293 18.6 148.9-133.1 48.5 16.2 13.5 49.4 30 31 A E E 3 S+ 0 0 121 1,-0.3 3,-0.1 144,-0.2 -1,-0.1 0.771 72.3 53.4 -50.0 -34.2 12.4 14.1 50.0 31 32 A D E 3 S- 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 143,-0.1 0.545 113.3-115.4 -84.5 -13.7 13.2 17.2 52.2 32 33 A G E < - 0 0 28 -3,-1.7 2,-0.3 143,-0.2 -1,-0.2 -0.169 21.6-129.3 102.5 165.5 15.5 18.9 49.6 33 34 A V E - I 0 173B 20 140,-1.2 140,-0.8 -3,-0.1 138,-0.1 -0.957 11.8-164.5-142.5 160.1 19.1 19.7 49.7 34 35 A S S S+ 0 0 117 -2,-0.3 2,-0.3 138,-0.2 138,-0.1 0.120 73.8 65.2-134.9 25.6 21.0 22.9 49.0 35 36 A S S S- 0 0 68 -25,-0.1 2,-0.1 -22,-0.1 135,-0.1 -0.969 90.8 -91.8-136.6 161.0 24.4 21.3 48.6 36 37 A D + 0 0 47 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.428 41.5 174.3 -73.9 127.0 25.9 18.9 46.0 37 38 A F E - B 0 170A 0 133,-2.2 133,-1.6 -2,-0.1 2,-0.4 -0.984 11.2-171.3-121.3 153.3 25.8 15.1 46.6 38 39 A V E +AB 9 169A 4 -29,-2.3 -29,-3.2 -2,-0.3 2,-0.3 -0.972 16.5 167.3-139.5 118.2 26.9 12.2 44.3 39 40 A V E +AB 8 168A 0 129,-2.4 129,-2.6 -2,-0.4 2,-0.3 -0.967 13.7 103.5-130.3 152.6 26.1 8.7 45.3 40 41 A G E -AB 7 167A 0 -33,-1.9 -33,-2.2 -2,-0.3 2,-0.3 -0.988 52.0 -89.1 166.5-167.7 26.2 5.3 43.5 41 42 A L E +AB 6 166A 0 125,-1.4 125,-2.4 -2,-0.3 2,-0.2 -0.957 53.2 105.0-134.3 153.0 27.9 2.0 42.8 42 43 A G E -AB 5 165A 0 -37,-2.3 -38,-2.4 -2,-0.3 -37,-2.1 -0.806 58.3 -41.6 175.0-136.7 30.5 0.9 40.3 43 44 A W E - B 0 164A 49 121,-2.6 121,-2.1 -2,-0.2 -40,-0.1 -0.939 31.8-129.9-133.3 144.4 34.2 -0.0 39.8 44 45 A T S S+ 0 0 70 -2,-0.3 2,-0.5 119,-0.2 -1,-0.1 0.797 103.5 42.6 -68.9 -24.3 37.5 1.4 41.1 45 46 A T S S- 0 0 91 118,-0.1 118,-0.2 119,-0.1 -1,-0.2 -0.980 85.0-138.6-125.0 124.8 38.7 1.4 37.6 46 47 A G + 0 0 5 116,-2.6 2,-0.3 -2,-0.5 115,-0.3 -0.134 23.8 174.6 -69.9 158.0 36.6 2.6 34.6 47 48 A S - 0 0 41 2,-0.2 112,-0.0 112,-0.0 97,-0.0 -0.955 45.1-103.5-150.8-178.1 36.4 0.9 31.3 48 49 A S S S+ 0 0 55 -2,-0.3 97,-0.9 96,-0.1 98,-0.1 0.332 72.6 129.5 -95.0 16.7 34.5 1.2 28.1 49 50 A N - 0 0 115 95,-0.2 95,-0.3 1,-0.1 -2,-0.2 -0.329 67.2 -99.1 -64.3 149.8 32.2 -1.9 28.8 50 51 A A - 0 0 57 93,-0.1 2,-0.5 94,-0.1 93,-0.2 -0.340 33.4-148.8 -64.9 145.7 28.5 -1.4 28.4 51 52 A I E -J 142 0B 7 91,-2.3 91,-3.1 -3,-0.1 2,-0.4 -0.988 7.1-162.4-117.8 128.3 26.4 -0.8 31.6 52 53 A T E +J 141 0B 54 -2,-0.5 130,-2.3 130,-0.5 2,-0.3 -0.914 19.2 167.2-109.2 135.8 22.8 -1.9 31.9 53 54 A Y E -JK 140 181B 5 87,-2.7 87,-2.7 -2,-0.4 2,-0.3 -0.942 26.2-156.6-140.3 166.5 20.6 -0.4 34.6 54 55 A S E +JK 139 180B 65 126,-2.2 126,-2.8 -2,-0.3 2,-0.3 -0.995 27.2 166.8-141.2 130.1 17.1 -0.1 35.7 55 56 A A E - K 0 179B 13 83,-2.5 2,-0.5 -2,-0.3 124,-0.2 -0.946 37.7-142.0-141.0 162.0 15.8 2.8 37.9 56 57 A E E + K 0 178B 143 122,-2.3 122,-2.8 -2,-0.3 2,-0.4 -0.998 36.1 176.0-115.9 132.3 12.9 4.7 39.4 57 58 A Y E + K 0 177B 25 -2,-0.5 2,-0.4 120,-0.2 120,-0.2 -0.991 15.5 176.3-144.5 124.5 13.9 8.2 39.3 58 59 A S E + K 0 176B 74 118,-2.5 118,-1.6 -2,-0.4 28,-0.1 -0.906 28.7 126.5-137.1 103.9 11.8 11.2 40.3 59 60 A A > + 0 0 6 -2,-0.4 3,-1.8 116,-0.2 28,-0.3 0.068 15.1 132.0-151.0 28.6 13.4 14.6 40.3 60 61 A S T 3 S+ 0 0 108 1,-0.3 115,-0.1 26,-0.2 4,-0.1 0.892 83.6 47.7 -61.7 -31.2 11.4 16.9 38.2 61 62 A G T 3 S+ 0 0 56 113,-0.3 2,-0.3 25,-0.1 -1,-0.3 0.522 106.8 82.9 -78.8 2.4 11.6 19.6 41.1 62 63 A S S < S- 0 0 0 -3,-1.8 25,-2.2 111,-0.2 2,-1.2 -0.750 78.6-128.9-117.9 140.9 15.4 19.0 41.4 63 64 A S E S+C 172 0A 12 109,-1.7 108,-2.2 -2,-0.3 109,-0.6 -0.825 71.1 129.8 -80.2 98.0 18.7 20.1 39.9 64 65 A S E -C 170 0A 0 -2,-1.2 22,-1.8 106,-0.2 2,-0.3 -0.932 45.8-150.3-151.8 160.6 19.8 16.4 39.5 65 66 A Y E -CD 169 85A 7 104,-1.9 104,-2.1 -2,-0.3 2,-0.5 -0.987 12.6-152.3-140.5 144.7 21.1 13.7 37.1 66 67 A L E +CD 168 84A 0 18,-2.9 17,-2.7 -2,-0.3 18,-1.4 -0.988 52.0 148.4-107.7 111.7 20.8 10.0 36.7 67 68 A A E -CD 167 82A 3 100,-2.2 100,-3.9 -2,-0.5 2,-0.5 -0.958 62.6-110.9-150.1 153.7 24.2 9.3 35.0 68 69 A V E -CD 166 81A 0 13,-2.1 13,-2.6 -2,-0.3 2,-0.3 -0.804 54.3-176.2 -77.7 129.7 27.1 7.1 34.2 69 70 A Y E +CD 165 80A 10 96,-2.8 96,-3.1 -2,-0.5 2,-0.3 -0.985 15.2 121.4-137.3 139.1 29.8 9.2 36.1 70 71 A G E -CD 164 79A 0 9,-1.6 9,-2.5 -2,-0.3 2,-0.3 -0.984 39.9-103.9-177.1-169.4 33.6 8.9 36.5 71 72 A W E - 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0 0 88 -26,-0.4 -2,-0.2 -24,-0.3 -24,-0.1 -0.952 53.6-165.6-128.7 119.9 19.0 21.8 34.7 89 90 A N >> - 0 0 27 -2,-0.5 3,-1.1 1,-0.1 4,-0.7 -0.887 9.8-157.9 -98.3 112.0 20.6 20.9 31.4 90 91 A P H 3> S+ 0 0 6 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.736 90.4 59.9 -64.7 -22.1 24.4 21.3 31.8 91 92 A a H 34 S+ 0 0 9 2,-0.2 20,-0.1 1,-0.2 5,-0.1 0.724 88.4 72.2 -81.6 -22.3 24.8 21.7 28.0 92 93 A S H <4 S+ 0 0 101 -3,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.911 112.4 30.2 -46.0 -47.0 22.6 24.9 27.8 93 94 A S H < S+ 0 0 90 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.779 111.7 73.2 -89.3 -24.8 25.3 26.6 29.4 94 95 A A S < S- 0 0 20 -4,-1.0 2,-0.5 1,-0.1 18,-0.2 -0.023 90.5 -74.0 -95.1-175.6 28.6 24.8 28.2 95 96 A T E -F 111 0A 87 16,-2.4 16,-2.2 1,-0.1 2,-0.1 -0.696 51.2-125.3 -86.1 122.8 30.7 24.6 25.0 96 97 A S E +F 110 0A 89 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.354 28.7 178.2 -67.2 130.7 28.9 22.5 22.4 97 98 A L E - 0 0 36 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.567 49.6-104.5-104.9 -10.2 30.9 19.5 20.8 98 99 A G E -F 109 0A 31 11,-1.1 11,-2.5 2,-0.0 -1,-0.4 -0.904 47.1 -55.6 125.0-151.7 28.1 18.2 18.5 99 100 A T E -F 108 0A 80 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.940 34.4-162.1-134.6 140.9 25.8 15.1 18.8 100 101 A V E -F 107 0A 16 7,-2.2 7,-2.1 -2,-0.3 2,-0.4 -0.965 13.4-143.5-122.1 145.7 26.5 11.4 19.2 101 102 A Y E +F 106 0A 156 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.938 35.1 147.9-105.2 134.9 23.9 8.7 18.5 102 103 A S E > -F 105 0A 2 3,-2.6 3,-1.6 -2,-0.4 -2,-0.1 -0.944 55.3 -2.0-166.2 138.2 23.9 5.6 20.8 103 104 A D T 3 S- 0 0 41 -2,-0.3 38,-0.1 1,-0.3 3,-0.1 0.810 130.3 -37.3 49.7 46.3 21.5 3.1 22.3 104 105 A G T 3 S+ 0 0 49 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.437 123.0 56.9 95.1 -0.2 18.3 4.5 20.8 105 106 A S E < S-F 102 0A 5 -3,-1.6 -3,-2.6 29,-0.0 2,-0.2 -0.998 73.6-109.3-158.1 157.9 18.9 8.2 21.0 106 107 A T E -F 101 0A 48 -2,-0.3 28,-3.0 -5,-0.2 29,-0.5 -0.553 32.0-155.1 -77.2 157.1 20.9 11.2 20.1 107 108 A Y E -FG 100 133A 0 -7,-2.1 -7,-2.2 26,-0.3 2,-0.4 -0.996 14.7-128.8-130.5 137.6 22.9 12.9 22.9 108 109 A Q E -FG 99 132A 56 24,-2.4 24,-3.0 -2,-0.4 2,-0.4 -0.726 29.1-153.4 -79.2 140.1 24.0 16.4 23.0 109 110 A V E +FG 98 131A 0 -11,-2.5 -12,-3.2 -2,-0.4 -11,-1.1 -0.929 23.3 154.4-121.1 136.2 27.6 16.6 23.8 110 111 A a E -FG 96 130A 1 20,-2.0 20,-2.7 -2,-0.4 2,-0.3 -0.947 23.7-148.0-152.4 171.5 29.5 19.4 25.5 111 112 A T E -FG 95 129A 20 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.3 -0.939 10.4-177.5-142.6 158.2 32.5 20.3 27.6 112 113 A D E - 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