==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-94 1XYP . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.ROUVINEN,A.TORRONEN . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 48.7 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 1.1 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 . 2 0.5 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 . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 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 . 1 1 0 2 4 4 2 6 4 0 0 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 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 X 0 0 98 0, 0.0 28,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.5 49.0 15.2 15.2 2 2 A T B -A 28 0A 86 26,-0.3 2,-0.3 24,-0.0 26,-0.3 -0.678 360.0-179.5 -76.2 125.0 49.0 18.3 17.4 3 3 A I - 0 0 44 24,-1.9 24,-0.5 -2,-0.5 3,-0.1 -0.859 31.3-115.7-130.2 164.0 50.4 21.1 15.3 4 4 A Q - 0 0 50 294,-0.3 294,-0.1 -2,-0.3 13,-0.1 -0.433 67.5 -57.5 -85.5 166.5 51.3 24.7 15.4 5 5 A P S S+ 0 0 40 0, 0.0 295,-0.3 0, 0.0 2,-0.3 -0.110 87.4 101.2 -49.4 140.5 49.4 27.1 13.0 6 6 A G E -F 17 0B 14 11,-1.9 11,-2.5 -3,-0.1 2,-0.3 -0.968 56.2-107.5 166.8-177.6 49.5 26.2 9.3 7 7 A T E +F 16 0B 64 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.919 45.9 111.8-135.0 164.3 47.7 24.6 6.4 8 8 A G E -F 15 0B 16 7,-1.6 7,-2.3 -2,-0.3 2,-0.4 -0.983 60.9 -64.1 164.3-163.1 48.0 21.5 4.4 9 9 A Y E -F 14 0B 149 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.973 40.2-175.6-121.1 136.1 46.3 18.1 3.7 10 10 A N E > -F 13 0B 19 3,-3.3 3,-1.8 -2,-0.4 20,-0.1 -0.962 67.3 -23.7-138.3 116.9 45.8 15.5 6.3 11 11 A N T 3 S- 0 0 99 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.788 132.2 -39.3 55.2 33.2 44.4 12.0 5.7 12 12 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 21,-0.1 -1,-0.3 0.189 122.0 93.5 104.4 -11.6 42.5 13.1 2.6 13 13 A Y E < S-F 10 0B 48 -3,-1.8 -3,-3.3 19,-0.3 -1,-0.2 -0.883 70.7-121.4-123.8 147.1 41.4 16.6 3.8 14 14 A F E -FG 9 50B 11 36,-2.0 36,-2.7 -2,-0.4 2,-0.3 -0.450 34.7-171.4 -73.0 146.8 42.6 20.1 3.7 15 15 A Y E -FG 8 49B 27 -7,-2.3 -7,-1.6 34,-0.2 2,-0.3 -0.973 12.8-169.8-138.9 155.5 43.1 21.7 7.1 16 16 A S E -FG 7 48B 13 32,-2.0 32,-1.7 -2,-0.3 2,-0.4 -0.963 4.1-179.3-147.9 126.4 43.8 25.2 8.3 17 17 A Y E +FG 6 47B 9 -11,-2.5 -11,-1.9 -2,-0.3 2,-0.3 -0.994 10.5 165.4-131.4 124.7 44.7 26.2 11.8 18 18 A W E + G 0 46B 119 28,-2.8 28,-2.6 -2,-0.4 2,-0.3 -0.984 6.5 175.6-137.6 145.1 45.3 29.8 12.8 19 19 A N E - G 0 45B 37 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.962 38.7-118.8-145.4 161.9 45.6 31.7 16.1 20 20 A D - 0 0 67 24,-2.0 25,-0.1 -2,-0.3 -2,-0.0 0.306 56.4-104.7 -84.2 7.6 46.4 35.2 17.2 21 21 A G S S+ 0 0 61 23,-0.2 24,-0.1 22,-0.0 -1,-0.0 0.235 87.8 121.5 88.3 -10.2 49.5 34.1 19.2 22 22 A H - 0 0 103 22,-0.2 2,-0.1 1,-0.1 -1,-0.0 0.809 64.3-134.7 -55.3 -40.2 47.6 34.5 22.6 23 23 A G + 0 0 38 2,-0.0 20,-0.1 1,-0.0 -1,-0.1 -0.160 68.7 97.2 99.9 159.9 48.0 31.0 23.8 24 24 A G + 0 0 39 1,-0.3 16,-2.7 18,-0.2 2,-0.4 0.593 63.0 107.2 98.4 12.7 45.6 28.5 25.4 25 25 A V E - B 0 39A 20 14,-0.2 2,-0.5 16,-0.1 -1,-0.3 -0.988 43.9-169.0-129.4 136.2 44.6 26.5 22.3 26 26 A T E - B 0 38A 69 12,-2.9 12,-2.4 -2,-0.4 2,-0.5 -0.988 7.5-170.8-124.9 119.6 45.6 23.0 21.3 27 27 A Y E - B 0 37A 1 -24,-0.5 -24,-1.9 -2,-0.5 2,-0.4 -0.960 4.5-176.9-114.5 128.9 44.7 21.8 17.7 28 28 A T E -AB 2 36A 41 8,-2.8 8,-2.5 -2,-0.5 2,-0.4 -0.988 20.9-139.9-130.8 127.5 45.1 18.2 16.7 29 29 A N E - B 0 35A 6 -28,-2.6 6,-0.2 -2,-0.4 3,-0.1 -0.713 31.3-170.7 -82.9 127.2 44.6 16.6 13.3 30 30 A G - 0 0 10 4,-2.6 4,-0.1 -2,-0.4 -1,-0.0 -0.409 31.9 -52.3-109.0-171.6 42.9 13.2 13.7 31 31 A P S > S- 0 0 87 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.259 103.1 -21.2 -61.5 144.7 42.0 10.2 11.5 32 32 A G T 3 S- 0 0 35 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.240 134.2 -17.2 55.5-132.0 40.1 10.8 8.3 33 33 A G T 3 S+ 0 0 3 156,-0.3 156,-2.0 -21,-0.1 -1,-0.3 0.150 106.5 123.4 -93.5 25.7 38.3 14.2 8.3 34 34 A Q E < + C 0 188A 52 -3,-2.1 -4,-2.6 154,-0.3 2,-0.3 -0.586 30.5 169.7 -91.9 144.4 38.5 14.5 12.1 35 35 A F E -BC 29 187A 0 152,-2.2 152,-2.3 -6,-0.2 2,-0.4 -0.964 14.8-155.5-144.2 152.1 40.1 17.4 14.0 36 36 A S E -BC 28 186A 33 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.4 -0.990 6.5-171.9-131.9 140.9 40.0 18.2 17.7 37 37 A V E -BC 27 185A 4 148,-2.3 148,-1.9 -2,-0.4 2,-0.4 -1.000 3.0-178.4-135.8 130.7 40.5 21.5 19.5 38 38 A N E +BC 26 184A 98 -12,-2.4 -12,-2.9 -2,-0.4 2,-0.3 -1.000 13.3 175.4-129.5 128.7 40.8 22.1 23.2 39 39 A W E -BC 25 183A 5 144,-2.6 144,-2.6 -2,-0.4 2,-0.3 -0.967 18.0-174.5-137.6 155.2 41.1 25.6 24.5 40 40 A S S S- 0 0 68 -16,-2.7 142,-0.2 -2,-0.3 140,-0.0 -0.886 79.0 -18.2-153.6 113.1 41.3 27.4 27.8 41 41 A N S S+ 0 0 121 -2,-0.3 141,-0.2 140,-0.2 -16,-0.1 0.921 94.7 170.4 53.1 51.1 41.4 31.2 28.3 42 42 A S - 0 0 1 139,-2.4 -18,-0.2 -18,-0.2 2,-0.1 0.047 33.9-130.6 -78.7-176.8 42.4 31.5 24.6 43 43 A G - 0 0 1 -20,-0.1 137,-1.9 137,-0.1 2,-0.5 -0.016 61.9 -45.2-106.6-137.3 42.7 34.4 22.3 44 44 A N E S+ H 0 179B 32 135,-0.2 -24,-2.0 -2,-0.1 2,-0.3 -0.842 70.8 159.2-101.9 129.7 41.1 34.3 18.9 45 45 A F E -GH 19 178B 0 133,-1.9 133,-2.0 -2,-0.5 2,-0.4 -0.988 25.1-162.0-148.0 159.4 41.6 31.2 16.8 46 46 A V E +GH 18 177B 13 -28,-2.6 -28,-2.8 -2,-0.3 2,-0.3 -0.986 19.1 162.7-145.0 129.9 40.1 29.3 13.8 47 47 A G E +GH 17 176B 0 129,-2.0 129,-2.7 -2,-0.4 2,-0.3 -0.990 11.0 115.9-152.0 141.7 40.7 25.6 13.0 48 48 A G E -GH 16 175B 0 -32,-1.7 -32,-2.0 -2,-0.3 2,-0.3 -0.985 42.5-102.9 177.9 178.9 39.1 22.9 10.8 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.5 -2,-0.3 -34,-0.2 -0.882 50.6 101.2-124.9 154.1 39.1 20.5 7.9 50 50 A G E -GH 14 173B 0 -36,-2.7 -36,-2.0 -2,-0.3 2,-0.3 -0.744 62.7 -35.4 176.2-124.2 37.5 20.4 4.5 51 51 A W E - H 0 172B 51 121,-2.8 121,-2.4 -2,-0.2 3,-0.2 -0.931 34.4-133.2-137.2 153.9 38.6 21.1 0.9 52 52 A Q S S+ 0 0 52 1,-0.5 119,-0.1 -2,-0.3 2,-0.1 -0.872 102.7 22.6-148.5 104.8 41.0 23.3 -1.1 53 53 A P S S- 0 0 89 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.610 91.0-161.1 -84.2 164.9 39.5 24.3 -3.4 54 54 A G - 0 0 8 116,-2.5 2,-0.3 -3,-0.2 115,-0.2 -0.267 10.8-130.8 -91.2-174.9 35.8 24.0 -2.4 55 55 A T > - 0 0 50 -2,-0.1 3,-0.6 113,-0.1 115,-0.1 -0.896 16.5-118.0-135.3 167.8 32.8 24.1 -4.7 56 56 A K T 3 S+ 0 0 101 -2,-0.3 100,-0.2 1,-0.2 110,-0.0 0.489 111.0 38.5 -86.6 -3.7 29.5 25.9 -5.0 57 57 A N T 3 S+ 0 0 120 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.114 78.0 138.2-133.9 26.1 27.4 22.8 -4.6 58 58 A K < - 0 0 42 -3,-0.6 94,-1.7 93,-0.1 2,-0.6 -0.456 43.9-145.8 -74.1 140.2 29.2 20.6 -2.1 59 59 A V E -D 151 0A 72 92,-0.2 2,-0.5 -2,-0.1 92,-0.2 -0.969 22.2-157.6-105.7 115.1 27.0 18.9 0.5 60 60 A I E -D 150 0A 0 90,-2.9 90,-3.1 -2,-0.6 2,-0.3 -0.857 7.2-160.7-104.0 130.5 29.1 18.8 3.7 61 61 A N E +D 149 0A 62 129,-2.8 129,-1.9 -2,-0.5 2,-0.3 -0.829 13.7 173.3-106.8 143.8 28.6 16.3 6.5 62 62 A F E +DE 148 189A 7 86,-2.4 86,-2.6 -2,-0.3 2,-0.3 -0.994 4.4 167.0-149.6 144.9 29.8 16.8 10.0 63 63 A S E + E 0 188A 61 125,-1.5 125,-2.9 -2,-0.3 2,-0.3 -0.985 25.5 82.9-153.0 158.8 29.5 15.1 13.3 64 64 A G E S- E 0 187A 44 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.950 71.7 -44.9 145.0-164.4 31.0 15.1 16.7 65 65 A S E - E 0 186A 54 121,-1.9 121,-2.7 -2,-0.3 2,-0.5 -0.908 39.4-175.7-110.3 133.7 31.0 16.9 20.1 66 66 A Y E + E 0 185A 13 -2,-0.4 119,-0.2 119,-0.2 8,-0.1 -0.951 9.2 167.9-131.5 108.6 31.0 20.6 20.3 67 67 A N E - E 0 184A 92 117,-3.1 117,-1.7 -2,-0.5 2,-0.2 -0.699 9.6-177.0-125.8 79.6 31.3 22.0 23.9 68 68 A P E - E 0 183A 41 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.506 15.5-160.8 -77.8 143.2 32.0 25.7 24.0 69 69 A N E S- E 0 182A 119 113,-2.9 113,-1.6 -2,-0.2 2,-0.3 -0.722 72.3 -27.8-120.2 74.5 32.5 27.4 27.3 70 70 A G S S+ 0 0 20 -2,-0.4 25,-0.9 111,-0.2 2,-0.6 -0.879 120.0 13.9 120.5-150.7 31.8 31.0 26.3 71 71 A N S S+ 0 0 24 108,-0.3 108,-2.4 -2,-0.3 2,-0.3 -0.513 80.1 120.6 -71.0 113.1 32.3 32.8 22.9 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.7 106,-0.2 2,-0.3 -0.968 40.1-149.4-164.9 156.5 32.8 30.3 20.0 73 73 A Y E -IJ 177 93B 24 104,-2.2 104,-2.5 -2,-0.3 2,-0.5 -0.977 6.7-154.3-134.9 152.6 31.2 29.2 16.7 74 74 A L E +IJ 176 92B 1 18,-2.7 17,-2.2 -2,-0.3 18,-1.6 -0.995 42.0 145.9-123.8 114.8 30.9 26.0 14.7 75 75 A S E -IJ 175 90B 3 100,-2.5 100,-3.2 -2,-0.5 2,-0.6 -0.946 59.7-105.9-148.1 168.3 30.5 26.8 11.0 76 76 A V E -IJ 174 89B 1 13,-2.3 13,-2.6 -2,-0.3 2,-0.4 -0.889 54.8-177.2 -92.5 124.8 31.1 26.0 7.3 77 77 A Y E +IJ 173 88B 18 96,-2.8 96,-2.7 -2,-0.6 2,-0.3 -0.978 13.6 126.1-133.3 142.1 33.7 28.7 6.6 78 78 A G E -IJ 172 87B 0 9,-1.7 9,-2.8 -2,-0.4 2,-0.3 -0.974 38.8-108.3-172.8-173.8 35.5 29.7 3.5 79 79 A W E - J 0 86B 9 92,-1.4 91,-2.7 -2,-0.3 2,-0.3 -0.931 12.1-159.6-136.7 158.9 36.5 32.3 0.9 80 80 A S E > -IJ 169 85B 0 5,-2.2 5,-1.8 -2,-0.3 2,-0.4 -0.907 11.5-147.5-132.6 154.0 35.8 33.3 -2.6 81 81 A R E 5S+I 168 0B 94 87,-2.5 87,-3.0 -2,-0.3 3,-0.3 -0.956 71.3 46.3-122.7 147.9 37.9 35.5 -5.0 82 82 A N T 5S+ 0 0 138 -2,-0.4 -1,-0.2 85,-0.2 2,-0.1 0.935 129.5 33.0 48.5 68.5 36.5 37.8 -7.7 83 83 A P T 5S- 0 0 49 0, 0.0 2,-0.7 0, 0.0 84,-0.5 0.373 107.4-138.1 -78.7 154.9 34.6 38.9 -5.7 84 84 A L T 5 + 0 0 27 -3,-0.3 51,-0.8 49,-0.2 2,-0.3 -0.713 38.3 163.4 -78.5 115.0 36.7 38.6 -2.5 85 85 A I E < -Jk 80 135B 5 -5,-1.8 -5,-2.2 -2,-0.7 2,-0.5 -0.996 32.2-156.3-138.8 140.1 34.3 37.2 0.1 86 86 A E E -Jk 79 136B 18 49,-1.8 51,-2.1 -2,-0.3 2,-0.3 -0.975 29.4-170.2-110.6 125.4 34.7 35.6 3.5 87 87 A Y E -Jk 78 137B 1 -9,-2.8 -9,-1.7 -2,-0.5 2,-0.4 -0.914 19.2-167.7-128.2 157.4 31.7 33.5 4.4 88 88 A Y E -Jk 77 138B 10 49,-2.3 51,-2.2 -2,-0.3 2,-0.6 -0.999 11.8-170.4-137.9 133.4 30.1 31.6 7.4 89 89 A I E -Jk 76 139B 0 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.6 -0.927 30.8-152.8-121.0 92.2 27.2 29.1 7.5 90 90 A V E +Jk 75 140B 1 49,-2.7 51,-2.7 -2,-0.6 -15,-0.3 -0.673 25.7 173.3 -79.2 116.8 26.9 29.0 11.3 91 91 A E E - 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