==== 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 1RED . 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) . 15532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 73.2 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 . 186 48.9 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 . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.5 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 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,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.7 49.0 15.3 15.2 2 2 A T E +A 28 0A 84 26,-0.3 2,-0.3 24,-0.0 26,-0.3 -0.641 360.0 180.0 -75.0 127.2 49.1 18.4 17.3 3 3 A I E -A 27 0A 42 24,-1.9 24,-0.5 -2,-0.4 3,-0.1 -0.847 31.3-113.1-131.7 166.1 50.5 21.2 15.2 4 4 A Q - 0 0 52 294,-0.3 294,-0.1 -2,-0.3 13,-0.1 -0.460 67.8 -58.6 -85.9 165.8 51.4 24.9 15.2 5 5 A P S S+ 0 0 38 0, 0.0 295,-0.3 0, 0.0 2,-0.3 -0.149 87.9 104.8 -49.5 134.8 49.4 27.3 13.0 6 6 A G E -F 17 0B 15 11,-1.7 11,-2.6 -3,-0.1 2,-0.3 -0.974 54.3-113.5 173.5-177.6 49.5 26.3 9.3 7 7 A T E +F 16 0B 71 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.916 45.7 106.4-137.2 164.9 47.6 24.8 6.4 8 8 A G E -F 15 0B 17 7,-1.7 7,-2.7 -2,-0.3 2,-0.4 -0.986 63.5 -56.5 159.5-160.7 48.0 21.7 4.3 9 9 A Y E -F 14 0B 142 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.957 40.2-177.2-119.8 136.2 46.4 18.3 3.7 10 10 A N E > S-F 13 0B 19 3,-3.2 3,-2.1 -2,-0.4 20,-0.1 -0.981 70.0 -21.6-136.9 119.7 45.9 15.6 6.3 11 11 A N T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 23,-0.1 0.758 131.3 -43.0 53.9 31.3 44.5 12.2 5.6 12 12 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.232 120.9 96.0 103.4 -11.1 42.8 13.3 2.5 13 13 A Y E < S-F 10 0B 51 -3,-2.1 -3,-3.2 19,-0.3 -1,-0.2 -0.892 71.5-120.4-120.6 144.1 41.5 16.7 3.7 14 14 A F E -FG 9 50B 9 36,-1.7 36,-2.9 -2,-0.4 2,-0.3 -0.468 34.9-169.8 -72.3 144.4 42.7 20.2 3.6 15 15 A Y E -FG 8 49B 25 -7,-2.7 -7,-1.7 34,-0.2 2,-0.3 -0.941 13.2-169.7-135.0 158.9 43.2 21.8 7.0 16 16 A S E -FG 7 48B 14 32,-1.8 32,-1.9 -2,-0.3 2,-0.4 -0.956 4.4-179.3-150.4 128.1 43.8 25.3 8.2 17 17 A Y E +FG 6 47B 7 -11,-2.6 -11,-1.7 -2,-0.3 2,-0.3 -0.987 10.2 164.7-134.9 124.6 44.8 26.4 11.7 18 18 A W E + G 0 46B 122 28,-2.9 28,-2.5 -2,-0.4 2,-0.3 -0.976 7.0 174.4-139.2 148.4 45.4 29.9 12.8 19 19 A N E - G 0 45B 34 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.978 38.8-120.1-150.5 155.3 45.6 31.8 16.1 20 20 A D - 0 0 67 24,-2.1 25,-0.1 -2,-0.3 -2,-0.0 0.432 56.1-106.1 -76.1 -2.4 46.5 35.4 17.2 21 21 A G S S+ 0 0 62 23,-0.2 3,-0.1 22,-0.0 -1,-0.1 0.424 88.4 120.2 91.9 -1.2 49.5 34.2 19.3 22 22 A H - 0 0 107 22,-0.2 2,-0.0 1,-0.1 -3,-0.0 0.816 65.6-141.3 -65.0 -33.0 47.7 34.8 22.6 23 23 A G + 0 0 36 1,-0.0 -1,-0.1 2,-0.0 3,-0.1 -0.111 66.1 104.7 91.5 166.9 48.1 31.1 23.5 24 24 A G + 0 0 40 1,-0.3 16,-2.8 18,-0.1 2,-0.4 0.570 62.6 107.5 96.8 10.5 45.8 28.7 25.3 25 25 A V E - B 0 39A 19 14,-0.2 2,-0.4 16,-0.1 -1,-0.3 -0.973 44.3-170.4-125.4 140.5 44.7 26.7 22.2 26 26 A T E - B 0 38A 70 12,-2.2 12,-2.1 -2,-0.4 2,-0.4 -0.975 5.8-170.7-132.5 115.3 45.7 23.2 21.1 27 27 A Y E -AB 3 37A 1 -24,-0.5 -24,-1.9 -2,-0.4 2,-0.4 -0.912 4.1-174.3-108.4 133.3 44.8 22.0 17.6 28 28 A T E -AB 2 36A 38 8,-2.7 8,-2.3 -2,-0.4 2,-0.4 -0.988 20.5-138.2-132.3 126.0 45.3 18.3 16.6 29 29 A N E - B 0 35A 8 -28,-2.7 6,-0.3 -2,-0.4 3,-0.1 -0.693 31.5-170.1 -80.3 127.1 44.8 16.7 13.2 30 30 A G - 0 0 10 4,-2.8 4,-0.1 -2,-0.4 -1,-0.0 -0.421 31.8 -56.8-108.5-174.1 43.0 13.4 13.6 31 31 A P S > S- 0 0 92 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.301 102.1 -18.0 -65.0 147.7 42.2 10.4 11.4 32 32 A G T 3 S- 0 0 35 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.308 135.1 -18.4 58.9-130.4 40.2 10.9 8.2 33 33 A G T 3 S+ 0 0 4 156,-0.3 156,-2.5 -21,-0.1 2,-0.3 0.049 107.6 123.1 -96.7 27.9 38.4 14.2 8.3 34 34 A Q E < + C 0 188A 59 -3,-1.9 -4,-2.8 154,-0.3 2,-0.3 -0.652 29.8 166.9 -95.5 145.4 38.7 14.6 12.1 35 35 A F E -BC 29 187A 0 152,-1.9 152,-1.9 -2,-0.3 2,-0.4 -0.966 17.6-150.7-148.1 152.2 40.3 17.4 14.1 36 36 A S E -BC 28 186A 21 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.4 -0.987 6.4-168.8-129.8 142.0 40.2 18.3 17.8 37 37 A V E +BC 27 185A 0 148,-2.1 148,-2.0 -2,-0.4 2,-0.4 -0.999 5.5 178.5-132.9 127.2 40.5 21.7 19.4 38 38 A N E +BC 26 184A 84 -12,-2.1 -12,-2.2 -2,-0.4 2,-0.3 -0.998 13.4 173.4-128.8 122.2 41.0 22.2 23.2 39 39 A W E -BC 25 183A 10 144,-2.5 144,-2.5 -2,-0.4 2,-0.3 -0.966 17.8-174.8-134.4 153.5 41.3 25.7 24.5 40 40 A S S S- 0 0 72 -16,-2.8 142,-0.2 -2,-0.3 140,-0.0 -0.909 78.2 -17.7-149.4 114.1 41.5 27.5 27.8 41 41 A N S S+ 0 0 121 -2,-0.3 141,-0.2 140,-0.2 -16,-0.1 0.935 94.6 168.8 52.8 52.5 41.5 31.3 28.2 42 42 A S - 0 0 1 139,-2.3 -18,-0.1 -18,-0.2 2,-0.1 0.076 34.8-131.4 -80.5-171.0 42.5 31.7 24.6 43 43 A G - 0 0 1 137,-0.1 137,-2.2 1,-0.1 138,-0.5 -0.067 62.3 -44.0-114.9-137.5 42.7 34.6 22.2 44 44 A N E S+ H 0 179B 34 135,-0.2 -24,-2.1 -2,-0.1 2,-0.3 -0.821 70.3 159.6-101.3 133.9 41.1 34.5 18.8 45 45 A F E -GH 19 178B 0 133,-1.9 133,-1.8 -2,-0.4 2,-0.4 -0.990 25.4-160.9-151.3 157.8 41.7 31.3 16.7 46 46 A V E +GH 18 177B 15 -28,-2.5 -28,-2.9 -2,-0.3 2,-0.3 -0.989 19.4 163.5-142.0 129.1 40.2 29.4 13.8 47 47 A G E +GH 17 176B 0 129,-1.9 129,-2.4 -2,-0.4 2,-0.3 -0.991 11.9 116.5-150.1 140.5 40.8 25.7 13.0 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-1.8 -2,-0.3 2,-0.3 -0.980 43.4-104.2 176.6 173.5 39.2 23.0 10.8 49 49 A K E +GH 15 174B 0 125,-1.0 125,-2.7 -2,-0.3 -34,-0.2 -0.852 51.0 101.9-118.8 154.8 39.2 20.5 8.0 50 50 A G E -GH 14 173B 0 -36,-2.9 -36,-1.7 -2,-0.3 2,-0.3 -0.748 61.2 -36.1 177.3-126.8 37.6 20.6 4.5 51 51 A W E - H 0 172B 49 121,-3.2 121,-2.4 -2,-0.2 3,-0.3 -0.923 33.6-133.0-135.0 155.2 38.6 21.2 0.9 52 52 A Q S S+ 0 0 56 1,-0.5 119,-0.1 -2,-0.3 2,-0.1 -0.818 102.2 20.7-149.0 102.8 40.9 23.4 -1.2 53 53 A P S S- 0 0 88 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.535 90.7-158.0 -85.2 164.9 39.3 24.4 -3.4 54 54 A G - 0 0 7 116,-2.7 2,-0.3 -3,-0.3 115,-0.2 -0.279 10.7-130.8 -90.2-179.3 35.7 24.2 -2.3 55 55 A T - 0 0 51 -2,-0.1 3,-0.5 113,-0.1 115,-0.1 -0.837 16.5-117.7-130.4 170.9 32.6 24.1 -4.6 56 56 A K S S+ 0 0 100 -2,-0.3 100,-0.1 1,-0.2 110,-0.0 0.372 110.8 36.1 -90.9 3.5 29.3 25.9 -4.9 57 57 A N S S+ 0 0 117 95,-0.1 -1,-0.2 96,-0.1 2,-0.2 0.033 78.8 140.8-144.0 29.6 27.2 22.7 -4.5 58 58 A K - 0 0 44 -3,-0.5 94,-1.8 93,-0.1 2,-0.7 -0.516 42.7-145.8 -77.3 140.6 29.1 20.6 -1.9 59 59 A V E -D 151 0A 72 92,-0.2 2,-0.5 -2,-0.2 92,-0.2 -0.958 21.3-157.6-107.7 107.9 27.0 18.8 0.7 60 60 A I E -D 150 0A 0 90,-2.7 90,-3.0 -2,-0.7 2,-0.4 -0.800 6.4-160.8 -96.2 129.9 29.1 18.8 3.8 61 61 A N E +D 149 0A 62 129,-2.7 129,-1.9 -2,-0.5 2,-0.3 -0.853 13.7 172.7-107.7 139.7 28.7 16.3 6.6 62 62 A F E +DE 148 189A 8 86,-2.3 86,-2.7 -2,-0.4 2,-0.3 -0.994 3.9 168.6-145.9 145.3 30.0 16.8 10.1 63 63 A S E + E 0 188A 60 125,-1.3 125,-2.7 -2,-0.3 2,-0.3 -0.983 27.9 79.8-152.8 153.4 29.6 14.9 13.3 64 64 A G E S- E 0 187A 37 -2,-0.3 2,-0.5 123,-0.2 123,-0.2 -0.954 73.0 -45.5 145.6-163.2 31.2 15.1 16.7 65 65 A S E - E 0 186A 55 121,-1.7 121,-2.3 -2,-0.3 2,-0.5 -0.925 37.4-175.1-114.8 131.2 31.1 16.9 20.0 66 66 A Y E + E 0 185A 11 -2,-0.5 119,-0.2 119,-0.2 8,-0.1 -0.976 9.4 168.7-124.9 112.9 31.2 20.7 20.3 67 67 A N E - E 0 184A 88 117,-2.8 117,-1.4 -2,-0.5 2,-0.1 -0.676 9.1-177.9-129.3 79.8 31.4 22.0 23.8 68 68 A P E - E 0 183A 41 0, 0.0 2,-0.3 0, 0.0 115,-0.3 -0.461 16.0-162.3 -77.8 148.0 32.1 25.8 23.9 69 69 A N E S- E 0 182A 118 113,-2.9 113,-1.5 -2,-0.1 2,-0.3 -0.711 72.2 -23.7-128.2 71.0 32.6 27.5 27.3 70 70 A G S S+ 0 0 18 -2,-0.3 25,-1.3 111,-0.2 2,-0.7 -0.920 118.9 9.8 128.6-149.1 32.0 31.1 26.2 71 71 A N S S+ 0 0 27 108,-0.4 108,-2.4 -2,-0.3 2,-0.3 -0.588 80.6 121.8 -75.7 110.8 32.3 32.9 22.8 72 72 A S E -I 178 0B 0 -2,-0.7 22,-2.6 106,-0.2 2,-0.3 -0.970 40.2-150.0-163.1 156.7 32.9 30.4 20.0 73 73 A Y E -IJ 177 93B 20 104,-2.3 104,-2.3 -2,-0.3 2,-0.4 -0.958 4.3-155.9-133.6 156.3 31.2 29.3 16.7 74 74 A L E +IJ 176 92B 1 18,-2.7 17,-2.2 -2,-0.3 18,-1.6 -0.997 41.7 129.5-130.0 121.9 31.0 26.1 14.8 75 75 A S E -IJ 175 90B 4 100,-2.4 100,-3.1 -2,-0.4 2,-0.7 -0.986 64.9 -87.3-165.8 171.3 30.4 26.6 11.0 76 76 A V E -IJ 174 89B 1 13,-2.1 13,-2.1 -2,-0.3 2,-0.4 -0.846 56.0-176.9 -87.4 115.7 31.1 26.0 7.3 77 77 A Y E +IJ 173 88B 17 96,-2.9 96,-2.8 -2,-0.7 2,-0.3 -0.941 12.6 129.4-123.0 142.1 33.6 28.7 6.7 78 78 A G E -IJ 172 87B 0 9,-1.9 9,-2.8 -2,-0.4 2,-0.3 -0.980 37.6-110.9-170.4-176.1 35.3 29.8 3.5 79 79 A W E - J 0 86B 7 92,-1.5 91,-2.5 -2,-0.3 2,-0.3 -0.920 12.0-159.1-134.0 159.6 36.4 32.4 1.0 80 80 A S E > -IJ 169 85B 0 5,-2.2 5,-1.4 -2,-0.3 2,-0.4 -0.896 10.5-147.2-133.6 155.0 35.7 33.5 -2.5 81 81 A R E 5S+I 168 0B 94 87,-1.9 87,-3.0 -2,-0.3 3,-0.2 -0.977 71.6 42.6-125.9 141.9 37.8 35.6 -5.0 82 82 A N T 5S+ 0 0 141 -2,-0.4 -1,-0.2 85,-0.2 2,-0.1 0.948 130.4 32.9 50.2 70.2 36.4 38.0 -7.6 83 83 A P T 5S- 0 0 46 0, 0.0 2,-0.7 0, 0.0 84,-0.5 0.403 106.6-137.7 -79.7 153.9 34.5 39.0 -5.7 84 84 A L T 5 + 0 0 27 -3,-0.2 51,-0.9 49,-0.2 2,-0.4 -0.674 38.0 163.5 -77.9 112.3 36.5 38.7 -2.4 85 85 A I E < -Jk 80 135B 4 -5,-1.4 -5,-2.2 -2,-0.7 2,-0.5 -0.997 31.2-156.2-136.4 138.7 34.0 37.3 0.1 86 86 A E E -Jk 79 136B 5 49,-1.8 51,-2.0 -2,-0.4 2,-0.3 -0.967 28.2-169.4-110.1 126.3 34.5 35.7 3.5 87 87 A Y E -Jk 78 137B 1 -9,-2.8 -9,-1.9 -2,-0.5 2,-0.4 -0.909 18.5-167.1-127.6 155.4 31.5 33.6 4.5 88 88 A Y E -Jk 77 138B 11 49,-2.3 51,-1.7 -2,-0.3 2,-0.6 -0.999 11.6-170.5-137.0 134.0 30.0 31.7 7.4 89 89 A I E -Jk 76 139B 0 -13,-2.1 -13,-2.1 -2,-0.4 2,-0.5 -0.889 30.4-153.6-121.2 86.3 27.2 29.1 7.6 90 90 A V E +Jk 75 140B 1 49,-2.4 51,-2.8 -2,-0.6 -15,-0.2 -0.601 26.2 171.1 -73.5 119.6 26.9 29.0 11.4 91 91 A E E - 0 0 2 -17,-2.2 54,-1.5 -2,-0.5 2,-0.3 0.731 69.0 -1.0 -96.0 -29.9 25.6 25.7 12.9 92 92 A N E -J 74 0B 25 -18,-1.6 -18,-2.7 52,-0.2 -1,-0.3 -0.978 62.6-179.8-159.7 152.9 26.2 26.3 16.6 93 93 A F E -J 73 0B 31 -2,-0.3 -20,-0.2 -20,-0.2 4,-0.1 -0.965 19.8-128.5-152.8 166.9 27.7 29.0 18.8 94 94 A G S S- 0 0 22 -22,-2.6 -23,-0.3 -2,-0.3 -1,-0.2 0.593 72.6 -31.3 -87.4-120.1 28.4 29.8 22.4 95 95 A T S S+ 0 0 116 -25,-1.3 2,-0.4 1,-0.1 -24,-0.2 0.512 120.1 62.0 -84.5 -5.3 27.5 32.9 24.4 96 96 A Y S S- 0 0 87 -26,-0.3 -2,-0.3 -24,-0.3 -24,-0.2 -0.975 71.2-139.5-131.1 127.6 27.7 35.4 21.5 97 97 A N > - 0 0 54 -2,-0.4 3,-2.1 1,-0.1 -24,-0.1 -0.731 15.2-149.2 -82.1 114.8 25.6 35.5 18.3 98 98 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 0.618 93.0 66.6 -59.4 -15.0 28.2 36.4 15.5 99 99 A S T > + 0 0 9 2,-0.1 3,-2.6 3,-0.1 2,-0.2 0.442 69.9 129.2 -86.3 -2.4 25.4 38.2 13.6 100 100 A T T < S+ 0 0 82 -3,-2.1 3,-0.1 1,-0.3 -4,-0.0 -0.379 81.5 8.9 -56.6 119.9 25.2 40.9 16.3 101 101 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.502 103.5 122.3 87.1 2.3 25.5 44.3 14.7 102 102 A A < - 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