==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-95 1REF . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.ROUVINEN,R.HAVUKAINEN,A.TORRONEN . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 75.8 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 . 3 0.8 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 . 41 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.9 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 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 . 0 2 0 2 4 5 1 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,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.4 49.1 15.6 15.1 2 2 A T E +A 28 0A 84 26,-0.3 2,-0.3 24,-0.0 26,-0.3 -0.577 360.0 178.4 -70.5 123.9 49.1 18.8 17.3 3 3 A I E -A 27 0A 41 24,-1.9 24,-0.5 -2,-0.4 3,-0.1 -0.831 31.2-115.0-129.9 165.9 50.5 21.6 15.2 4 4 A Q - 0 0 55 294,-0.4 13,-0.1 -2,-0.3 294,-0.1 -0.442 67.2 -55.9 -87.3 168.4 51.4 25.3 15.2 5 5 A P S S+ 0 0 45 0, 0.0 295,-0.3 0, 0.0 2,-0.3 -0.124 88.2 101.4 -49.0 136.1 49.4 27.7 12.9 6 6 A G E -F 17 0B 16 11,-2.0 11,-2.6 -3,-0.1 2,-0.3 -0.965 55.0-110.8 168.6 179.4 49.5 26.7 9.2 7 7 A T E +F 16 0B 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.874 46.0 104.5-132.8 167.2 47.7 25.1 6.2 8 8 A G E -F 15 0B 16 7,-1.7 7,-2.7 -2,-0.3 2,-0.4 -0.992 63.8 -54.0 158.1-158.9 48.1 22.0 4.2 9 9 A Y E -F 14 0B 148 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.975 39.9-177.4-123.0 129.0 46.7 18.6 3.5 10 10 A N E > S-F 13 0B 19 3,-3.3 3,-1.8 -2,-0.4 20,-0.1 -0.977 71.6 -21.9-130.6 116.9 46.1 15.9 6.2 11 11 A N T 3 S- 0 0 99 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.796 130.4 -44.6 55.6 35.7 44.8 12.5 5.5 12 12 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 21,-0.0 -1,-0.3 0.257 120.3 100.2 96.5 -9.3 43.2 13.6 2.2 13 13 A Y E < S-F 10 0B 51 -3,-1.8 -3,-3.3 19,-0.3 -1,-0.3 -0.848 71.0-120.3-116.0 146.5 41.7 16.8 3.6 14 14 A F E -FG 9 50B 11 36,-2.2 36,-2.9 -2,-0.3 2,-0.3 -0.570 34.6-168.9 -77.4 140.9 42.7 20.5 3.4 15 15 A Y E -FG 8 49B 24 -7,-2.7 -7,-1.7 34,-0.2 2,-0.4 -0.961 14.1-170.0-133.2 153.7 43.3 22.1 6.8 16 16 A S E +FG 7 48B 13 32,-2.1 32,-1.7 -2,-0.3 2,-0.4 -0.976 5.6 179.4-144.7 124.8 43.8 25.6 8.1 17 17 A Y E +FG 6 47B 8 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.3 -0.989 11.2 161.3-131.4 123.9 44.8 26.6 11.6 18 18 A W E + G 0 46B 118 28,-2.6 28,-2.6 -2,-0.4 2,-0.3 -0.991 8.8 172.4-142.8 148.4 45.3 30.2 12.7 19 19 A N E - G 0 45B 35 -2,-0.3 26,-0.2 26,-0.3 -2,-0.0 -0.972 40.8-117.3-150.0 157.3 45.4 32.1 15.9 20 20 A D - 0 0 71 24,-2.2 25,-0.1 -2,-0.3 -2,-0.0 0.455 58.3-104.8 -76.7 -1.0 46.3 35.7 16.9 21 21 A G S S+ 0 0 61 23,-0.2 -1,-0.1 0, 0.0 24,-0.1 0.524 87.8 121.7 89.5 7.3 49.3 34.5 19.0 22 22 A H - 0 0 106 22,-0.2 2,-0.1 1,-0.1 -3,-0.0 0.829 64.6-137.7 -70.8 -34.6 47.5 35.0 22.4 23 23 A G + 0 0 37 1,-0.0 20,-0.3 2,-0.0 -1,-0.1 -0.206 68.5 101.9 97.4 168.4 47.9 31.4 23.4 24 24 A G + 0 0 40 1,-0.3 16,-2.4 18,-0.2 2,-0.4 0.735 63.2 110.9 87.8 24.2 45.6 29.0 25.2 25 25 A V E - B 0 39A 21 14,-0.2 2,-0.5 16,-0.1 -1,-0.3 -0.998 43.5-170.3-134.4 135.9 44.7 27.0 22.0 26 26 A T E - B 0 38A 66 12,-1.8 12,-2.0 -2,-0.4 2,-0.5 -0.955 4.9-172.8-130.6 111.0 45.6 23.5 20.9 27 27 A Y E -AB 3 37A 1 -24,-0.5 -24,-1.9 -2,-0.5 2,-0.4 -0.898 4.6-177.1-105.2 131.2 44.8 22.3 17.4 28 28 A T E -AB 2 36A 36 8,-2.4 8,-2.5 -2,-0.5 2,-0.6 -0.992 22.0-138.6-132.8 125.9 45.3 18.6 16.5 29 29 A N E - B 0 35A 7 -28,-2.4 6,-0.3 -2,-0.4 3,-0.1 -0.740 30.9-167.1 -81.8 120.0 44.9 17.0 13.1 30 30 A G - 0 0 10 4,-2.6 4,-0.2 -2,-0.6 -1,-0.0 -0.314 32.4 -57.6 -99.3-174.7 43.2 13.7 13.6 31 31 A P S > S- 0 0 94 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.328 102.0 -21.0 -65.1 142.5 42.6 10.6 11.4 32 32 A G T 3 S- 0 0 34 1,-0.3 -19,-0.3 -3,-0.1 -22,-0.1 -0.344 134.9 -14.4 62.0-129.7 40.7 11.2 8.1 33 33 A G T 3 S+ 0 0 3 156,-0.2 156,-2.5 -2,-0.1 2,-0.3 0.083 107.8 119.9 -94.8 26.6 38.6 14.3 8.2 34 34 A Q E < + C 0 188A 59 -3,-1.6 -4,-2.6 154,-0.3 2,-0.3 -0.681 31.4 167.8 -98.4 145.3 38.9 14.8 11.9 35 35 A F E -BC 29 187A 0 152,-2.1 152,-2.1 -2,-0.3 2,-0.4 -0.980 17.2-151.9-148.4 146.9 40.4 17.6 13.9 36 36 A S E -BC 28 186A 20 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.4 -0.983 6.2-168.4-125.7 136.0 40.2 18.5 17.6 37 37 A V E +BC 27 185A 0 148,-2.3 148,-1.9 -2,-0.4 2,-0.4 -0.993 5.5 179.4-125.6 129.6 40.5 21.9 19.2 38 38 A N E +BC 26 184A 80 -12,-2.0 -12,-1.8 -2,-0.4 2,-0.3 -0.988 12.7 171.8-130.8 118.0 40.9 22.4 22.9 39 39 A W E -BC 25 183A 10 144,-2.4 144,-2.6 -2,-0.4 2,-0.3 -0.943 17.7-176.3-132.3 154.0 41.2 26.0 24.3 40 40 A S S S- 0 0 71 -16,-2.4 142,-0.2 -2,-0.3 140,-0.0 -0.904 78.5 -17.1-150.2 116.7 41.3 27.8 27.6 41 41 A N S S+ 0 0 124 -2,-0.3 141,-0.2 140,-0.2 -16,-0.1 0.918 95.8 165.1 52.0 48.0 41.3 31.6 28.1 42 42 A S - 0 0 1 139,-2.4 -18,-0.2 -18,-0.2 2,-0.1 0.024 36.5-129.0 -81.6-172.4 42.4 31.9 24.5 43 43 A G - 0 0 0 -20,-0.3 137,-2.1 137,-0.2 138,-0.5 0.016 61.3 -42.9-110.2-135.1 42.5 34.8 22.1 44 44 A N E + H 0 179B 32 135,-0.2 -24,-2.2 136,-0.1 2,-0.3 -0.836 68.9 160.5-103.1 133.2 41.0 34.7 18.6 45 45 A F E -GH 19 178B 0 133,-1.8 133,-1.8 -2,-0.4 2,-0.4 -0.989 25.9-161.2-149.9 156.7 41.5 31.5 16.5 46 46 A V E +GH 18 177B 13 -28,-2.6 -28,-2.6 -2,-0.3 2,-0.3 -0.979 22.2 162.6-140.9 123.3 40.1 29.6 13.5 47 47 A G E +GH 17 176B 0 129,-1.8 129,-2.6 -2,-0.4 2,-0.3 -0.998 11.1 110.8-147.2 141.2 40.8 26.0 12.8 48 48 A G E -GH 16 175B 0 -32,-1.7 -32,-2.1 -2,-0.3 2,-0.3 -0.985 45.4 -99.5 175.1 176.9 39.2 23.2 10.8 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.7 -2,-0.3 2,-0.2 -0.843 51.4 100.8-119.7 158.0 39.3 20.7 7.9 50 50 A G E -GH 14 173B 1 -36,-2.9 -36,-2.2 -2,-0.3 2,-0.3 -0.818 60.2 -34.7 173.8-132.1 37.7 20.7 4.4 51 51 A W E - H 0 172B 51 121,-2.8 121,-2.5 -2,-0.2 3,-0.3 -0.908 35.3-132.1-131.0 155.1 38.5 21.4 0.8 52 52 A Q S S+ 0 0 57 1,-0.5 119,-0.2 -2,-0.3 2,-0.1 -0.852 101.8 18.7-148.4 103.5 40.7 23.7 -1.3 53 53 A P S S- 0 0 85 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.584 90.9-157.6 -87.7 166.2 39.1 24.8 -3.4 54 54 A G - 0 0 6 116,-2.7 2,-0.2 -3,-0.3 115,-0.2 -0.317 11.1-129.7 -91.3 179.0 35.5 24.3 -2.3 55 55 A T - 0 0 50 -2,-0.1 -1,-0.1 113,-0.1 3,-0.1 -0.727 15.1-121.0-124.5 176.4 32.4 24.2 -4.6 56 56 A K S S+ 0 0 90 -2,-0.2 100,-0.1 1,-0.1 110,-0.0 0.300 110.8 38.7-100.7 8.9 29.0 25.9 -4.8 57 57 A N S S+ 0 0 117 95,-0.1 -1,-0.1 96,-0.1 96,-0.1 0.265 79.9 136.3-138.3 7.3 27.1 22.6 -4.6 58 58 A K - 0 0 45 93,-0.1 94,-1.7 1,-0.1 2,-0.8 -0.353 46.3-144.9 -65.0 132.8 29.0 20.6 -2.1 59 59 A V E -D 151 0A 74 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.915 22.3-156.9-100.2 106.9 27.0 18.7 0.5 60 60 A I E -D 150 0A 0 90,-2.6 90,-3.1 -2,-0.8 2,-0.4 -0.777 6.5-160.8 -93.6 129.1 29.2 18.9 3.6 61 61 A N E +D 149 0A 67 129,-2.4 129,-2.2 -2,-0.5 2,-0.3 -0.872 13.6 172.2-108.8 137.9 28.9 16.3 6.4 62 62 A F E +DE 148 189A 7 86,-2.3 86,-2.7 -2,-0.4 2,-0.3 -0.995 2.9 168.8-144.6 146.3 30.1 16.9 9.9 63 63 A S E + E 0 188A 57 125,-1.4 125,-2.7 -2,-0.3 2,-0.3 -0.983 27.8 75.8-153.4 155.6 29.8 15.0 13.2 64 64 A G E S- E 0 187A 40 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.969 73.5 -42.3 143.6-156.8 31.3 15.1 16.6 65 65 A S E - E 0 186A 52 121,-2.0 121,-2.4 -2,-0.3 2,-0.4 -0.935 36.7-174.9-118.7 137.8 31.3 17.0 19.8 66 66 A Y E + E 0 185A 10 -2,-0.4 119,-0.2 119,-0.2 8,-0.1 -0.943 8.3 170.6-133.7 107.9 31.3 20.8 20.2 67 67 A N E - E 0 184A 93 117,-3.0 117,-1.3 -2,-0.4 2,-0.1 -0.684 9.7-177.3-122.4 78.8 31.5 22.2 23.8 68 68 A P E - E 0 183A 41 0, 0.0 2,-0.3 0, 0.0 115,-0.3 -0.441 14.7-163.9 -75.8 148.0 32.0 25.9 23.8 69 69 A N E S- E 0 182A 116 113,-2.8 113,-1.6 -2,-0.1 2,-0.4 -0.713 70.7 -25.3-130.9 73.9 32.5 27.8 27.1 70 70 A G S S+ 0 0 20 -2,-0.3 25,-1.6 111,-0.2 2,-0.6 -0.923 120.7 11.7 123.9-145.3 31.9 31.4 26.1 71 71 A N S S+ 0 0 25 108,-0.4 108,-2.4 -2,-0.4 2,-0.3 -0.594 81.2 123.4 -76.8 115.2 32.3 33.1 22.7 72 72 A S E -I 178 0B 0 -2,-0.6 22,-2.7 106,-0.2 2,-0.3 -0.973 39.1-149.9-166.8 153.6 32.8 30.5 19.9 73 73 A Y E -IJ 177 93B 22 104,-2.6 104,-2.4 -2,-0.3 2,-0.5 -0.978 4.8-158.2-133.1 150.6 31.2 29.4 16.5 74 74 A L E +IJ 176 92B 1 18,-3.0 17,-2.4 -2,-0.3 18,-1.5 -0.987 42.4 131.9-125.3 115.4 31.0 26.1 14.7 75 75 A S E -IJ 175 90B 4 100,-2.4 100,-2.8 -2,-0.5 2,-0.7 -0.976 64.9 -92.1-161.0 169.7 30.4 26.6 11.0 76 76 A V E -IJ 174 89B 1 13,-2.1 13,-2.2 -2,-0.3 2,-0.4 -0.842 56.6-179.6 -86.6 114.7 31.0 26.0 7.3 77 77 A Y E +IJ 173 88B 16 96,-2.9 96,-2.9 -2,-0.7 2,-0.3 -0.961 11.7 127.0-125.6 141.4 33.5 28.8 6.6 78 78 A G E -IJ 172 87B 0 9,-1.5 9,-2.5 -2,-0.4 2,-0.3 -0.971 37.9-107.6-170.6-175.1 35.3 29.9 3.5 79 79 A W E - J 0 86B 7 92,-1.6 91,-2.2 -2,-0.3 2,-0.3 -0.831 11.6-156.8-130.3 167.7 36.3 32.5 1.0 80 80 A S E > -IJ 169 85B 0 5,-1.8 5,-1.5 -2,-0.3 2,-0.4 -0.951 11.1-145.2-141.0 152.2 35.6 33.7 -2.6 81 81 A R E 5S+I 168 0B 95 87,-2.1 87,-2.5 -2,-0.3 3,-0.2 -0.956 72.3 41.2-122.4 142.7 37.7 35.8 -5.0 82 82 A N T 5S+ 0 0 139 -2,-0.4 -1,-0.2 85,-0.2 86,-0.1 0.946 129.9 33.8 47.9 72.6 36.3 38.3 -7.5 83 83 A P T 5S- 0 0 57 0, 0.0 2,-0.7 0, 0.0 84,-0.5 0.452 106.2-136.6 -81.1 154.1 34.4 39.3 -5.6 84 84 A L T 5 + 0 0 28 -3,-0.2 51,-0.9 49,-0.2 2,-0.4 -0.668 38.9 165.8 -75.2 112.0 36.4 38.9 -2.4 85 85 A I E < -Jk 80 135B 6 -5,-1.5 -5,-1.8 -2,-0.7 2,-0.5 -0.995 30.6-158.0-135.5 140.1 33.9 37.5 0.1 86 86 A E E -Jk 79 136B 7 49,-1.9 51,-2.1 -2,-0.4 2,-0.3 -0.980 26.6-170.1-113.8 122.3 34.2 35.8 3.5 87 87 A Y E -Jk 78 137B 0 -9,-2.5 -9,-1.5 -2,-0.5 2,-0.4 -0.850 16.1-165.0-122.2 158.3 31.2 33.6 4.3 88 88 A Y E -Jk 77 138B 8 49,-2.2 51,-1.3 -2,-0.3 2,-0.6 -0.996 12.6-172.8-140.2 132.0 29.7 31.8 7.3 89 89 A I E -Jk 76 139B 0 -13,-2.2 -13,-2.1 -2,-0.4 2,-0.5 -0.877 29.3-155.4-121.2 86.1 27.0 29.1 7.6 90 90 A V E +Jk 75 140B 1 49,-1.9 51,-2.7 -2,-0.6 -15,-0.2 -0.589 25.1 172.1 -73.5 119.3 26.8 28.9 11.4 91 91 A E E S- 0 0 2 -17,-2.4 54,-1.5 -2,-0.5 2,-0.3 0.723 70.9 -2.9 -95.4 -27.0 25.5 25.6 12.8 92 92 A N E -J 74 0B 23 -18,-1.5 -18,-3.0 52,-0.2 -1,-0.4 -0.973 62.1-179.4-164.2 148.8 26.1 26.3 16.4 93 93 A F E -J 73 0B 26 -2,-0.3 -20,-0.2 -20,-0.3 4,-0.1 -0.965 20.8-126.9-149.7 164.2 27.6 29.1 18.6 94 94 A G S S- 0 0 24 -22,-2.7 -23,-0.2 -2,-0.3 -1,-0.2 0.705 72.0 -33.0 -81.6-117.5 28.3 29.8 22.3 95 95 A T S S+ 0 0 116 -25,-1.6 2,-0.5 1,-0.1 -24,-0.2 0.648 119.8 65.8 -85.1 -17.4 27.3 32.9 24.2 96 96 A Y S S- 0 0 92 -26,-0.3 -2,-0.2 -24,-0.2 -24,-0.2 -0.929 71.0-141.9-116.7 127.2 27.6 35.4 21.4 97 97 A N > - 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