==== 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 1XYO . 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) . 15677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 73.7 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 . 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 . 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 96 0, 0.0 28,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.3 48.7 15.1 15.3 2 2 A T E -A 28 0A 86 26,-0.3 2,-0.3 24,-0.0 26,-0.2 -0.682 360.0-177.8 -78.8 122.0 48.8 18.2 17.4 3 3 A I E -A 27 0A 41 24,-1.8 24,-0.5 -2,-0.5 3,-0.1 -0.810 30.1-118.1-125.5 163.1 50.1 21.1 15.3 4 4 A Q - 0 0 42 294,-0.3 294,-0.1 -2,-0.3 13,-0.1 -0.486 67.7 -58.2 -85.7 165.1 51.0 24.8 15.4 5 5 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 295,-0.3 -0.095 88.0 102.1 -49.4 140.6 49.1 27.1 13.1 6 6 A G E -F 17 0B 17 11,-1.8 11,-2.5 -3,-0.1 2,-0.3 -0.975 55.4-108.6 167.9-177.5 49.2 26.2 9.4 7 7 A T E +F 16 0B 62 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.911 46.1 109.1-134.5 168.8 47.4 24.7 6.5 8 8 A G E -F 15 0B 16 7,-1.6 7,-2.6 -2,-0.3 2,-0.4 -0.984 62.2 -62.1 157.2-162.8 47.7 21.5 4.4 9 9 A Y E -F 14 0B 149 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.959 40.4-176.4-121.8 138.1 46.1 18.2 3.8 10 10 A N E > -F 13 0B 21 3,-3.2 3,-2.1 -2,-0.4 20,-0.1 -0.972 67.7 -20.8-140.4 120.6 45.6 15.5 6.4 11 11 A N T 3 S- 0 0 101 -2,-0.4 3,-0.1 1,-0.3 23,-0.1 0.759 132.2 -41.3 54.6 31.0 44.2 12.0 5.8 12 12 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.155 121.9 94.9 105.6 -12.4 42.4 13.1 2.7 13 13 A Y E < S-F 10 0B 51 -3,-2.1 -3,-3.2 19,-0.3 -1,-0.2 -0.882 70.7-122.4-122.2 142.4 41.2 16.5 3.9 14 14 A F E -FG 9 50B 10 36,-1.8 36,-2.8 -2,-0.4 2,-0.3 -0.401 34.3-169.1 -70.2 145.6 42.4 20.1 3.7 15 15 A Y E -FG 8 49B 26 -7,-2.6 -7,-1.6 34,-0.2 2,-0.4 -0.984 13.2-169.0-136.7 153.3 42.8 21.7 7.1 16 16 A S E +FG 7 48B 15 32,-2.0 32,-1.9 -2,-0.3 2,-0.4 -0.985 5.9 178.9-143.0 129.2 43.5 25.2 8.3 17 17 A Y E +FG 6 47B 9 -11,-2.5 -11,-1.8 -2,-0.4 2,-0.3 -0.983 8.2 166.4-136.0 122.9 44.4 26.3 11.8 18 18 A W E + G 0 46B 123 28,-2.8 28,-2.5 -2,-0.4 2,-0.3 -0.984 5.5 174.1-136.6 143.0 45.0 29.8 12.9 19 19 A N E - G 0 45B 36 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.970 39.4-119.3-144.5 158.7 45.4 31.6 16.2 20 20 A D - 0 0 66 24,-2.0 25,-0.1 -2,-0.3 -2,-0.0 0.251 57.4-104.4 -79.8 7.8 46.3 35.1 17.4 21 21 A G S S+ 0 0 60 23,-0.2 -1,-0.1 1,-0.0 24,-0.1 0.301 87.0 123.0 86.2 -6.4 49.3 33.9 19.4 22 22 A H - 0 0 103 22,-0.2 2,-0.1 1,-0.1 -1,-0.0 0.840 62.6-135.7 -56.5 -42.5 47.5 34.2 22.7 23 23 A G + 0 0 36 1,-0.0 20,-0.2 2,-0.0 -1,-0.1 -0.257 68.4 98.5 101.3 163.0 47.9 30.7 23.9 24 24 A G + 0 0 40 1,-0.3 16,-3.0 18,-0.2 2,-0.4 0.658 64.9 103.4 94.0 16.3 45.4 28.3 25.6 25 25 A V E - B 0 39A 20 14,-0.2 2,-0.5 16,-0.1 -1,-0.3 -0.998 45.7-168.8-133.5 138.4 44.4 26.3 22.4 26 26 A T E - B 0 38A 66 12,-2.4 12,-2.2 -2,-0.4 2,-0.5 -0.985 6.8-169.7-129.7 115.5 45.4 22.9 21.3 27 27 A Y E -AB 3 37A 1 -24,-0.5 -24,-1.8 -2,-0.5 2,-0.4 -0.934 5.8-175.1-108.0 129.2 44.4 21.8 17.7 28 28 A T E -AB 2 36A 42 8,-2.9 8,-2.4 -2,-0.5 2,-0.4 -0.985 20.2-139.8-129.7 127.6 44.9 18.1 16.7 29 29 A N E - B 0 35A 6 -28,-2.8 6,-0.2 -2,-0.4 3,-0.1 -0.712 31.5-170.9 -84.0 130.0 44.4 16.6 13.3 30 30 A G - 0 0 10 4,-2.8 4,-0.1 -2,-0.4 -1,-0.0 -0.469 32.2 -50.7-111.9-173.3 42.7 13.2 13.7 31 31 A P S > S- 0 0 89 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.261 102.1 -26.1 -59.7 143.5 41.8 10.2 11.5 32 32 A G T 3 S- 0 0 33 1,-0.3 -19,-0.3 -3,-0.1 -2,-0.1 -0.234 134.1 -12.4 54.3-128.1 40.0 10.9 8.2 33 33 A G T 3 S+ 0 0 4 156,-0.3 156,-2.0 -21,-0.1 -1,-0.3 0.220 107.0 120.5 -90.8 19.5 38.0 14.1 8.4 34 34 A Q E < + C 0 188A 55 -3,-2.2 -4,-2.8 154,-0.3 2,-0.3 -0.570 31.2 168.3 -91.7 144.0 38.3 14.4 12.1 35 35 A F E -BC 29 187A 0 152,-2.1 152,-2.5 -6,-0.2 2,-0.4 -0.971 15.4-154.7-146.0 150.1 39.9 17.3 14.1 36 36 A S E -BC 28 186A 34 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.4 -0.989 5.7-170.3-129.9 141.1 39.8 18.1 17.8 37 37 A V E -BC 27 185A 2 148,-2.2 148,-1.9 -2,-0.4 2,-0.4 -0.998 3.4-178.5-133.3 129.3 40.2 21.4 19.5 38 38 A N E +BC 26 184A 96 -12,-2.2 -12,-2.4 -2,-0.4 2,-0.3 -0.996 13.5 175.6-128.6 124.1 40.6 21.9 23.3 39 39 A W E -BC 25 183A 3 144,-2.6 144,-2.7 -2,-0.4 2,-0.3 -0.964 17.8-175.4-135.5 151.0 40.9 25.4 24.6 40 40 A S S S- 0 0 69 -16,-3.0 142,-0.2 -2,-0.3 140,-0.0 -0.911 79.6 -20.7-147.2 114.3 41.1 27.1 28.0 41 41 A N S S+ 0 0 121 -2,-0.3 141,-0.2 140,-0.2 -16,-0.1 0.941 95.1 171.3 48.8 53.0 41.1 30.9 28.4 42 42 A S - 0 0 2 139,-2.5 -18,-0.2 -18,-0.2 2,-0.1 0.023 33.1-128.6 -78.6-173.8 42.3 31.2 24.8 43 43 A G - 0 0 1 -20,-0.2 137,-2.5 137,-0.1 2,-0.5 0.042 61.8 -44.9-107.7-134.3 42.6 34.1 22.6 44 44 A N E S+ H 0 179B 38 135,-0.2 -24,-2.0 136,-0.1 2,-0.3 -0.867 71.0 157.6-104.6 129.4 41.0 34.2 19.1 45 45 A F E -GH 19 178B 0 133,-2.1 133,-1.9 -2,-0.5 2,-0.3 -0.990 24.7-165.9-150.2 158.9 41.4 31.1 16.9 46 46 A V E +GH 18 177B 25 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.3 -0.982 19.8 160.2-147.1 129.6 39.8 29.3 14.0 47 47 A G E +GH 17 176B 0 129,-2.1 129,-2.7 -2,-0.3 2,-0.3 -0.992 8.2 117.4-154.4 146.3 40.4 25.7 12.9 48 48 A G E -GH 16 175B 0 -32,-1.9 -32,-2.0 -2,-0.3 2,-0.3 -0.989 42.1 -95.5 177.4-177.1 38.9 22.9 10.9 49 49 A K E +GH 15 174B 0 125,-1.2 125,-2.5 -2,-0.3 -34,-0.2 -0.875 51.1 99.9-125.5 153.7 38.8 20.5 8.0 50 50 A G E -GH 14 173B 0 -36,-2.8 -36,-1.8 -2,-0.3 2,-0.3 -0.767 62.3 -34.8 176.3-128.1 37.3 20.4 4.6 51 51 A W E - H 0 172B 50 121,-2.8 121,-2.4 -2,-0.2 3,-0.3 -0.925 34.0-135.4-132.7 153.0 38.4 21.0 1.0 52 52 A Q S S+ 0 0 51 1,-0.5 119,-0.1 -2,-0.3 2,-0.1 -0.848 102.4 23.9-148.2 104.0 40.7 23.2 -1.0 53 53 A P S S- 0 0 90 0, 0.0 -1,-0.5 0, 0.0 118,-0.2 0.556 90.8-163.0 -83.1 161.4 39.3 24.1 -3.4 54 54 A G - 0 0 7 116,-2.6 2,-0.3 -3,-0.3 115,-0.2 -0.248 11.5-130.9 -90.2-175.0 35.6 23.9 -2.3 55 55 A T - 0 0 50 -2,-0.1 3,-0.4 113,-0.1 115,-0.1 -0.847 16.7-115.9-133.7 173.6 32.6 23.9 -4.7 56 56 A K S S+ 0 0 101 -2,-0.3 100,-0.2 1,-0.2 110,-0.0 0.474 111.6 37.0 -91.8 -1.6 29.3 25.7 -5.0 57 57 A N S S+ 0 0 116 95,-0.1 -1,-0.2 96,-0.1 2,-0.1 0.103 78.9 140.2-135.8 23.4 27.1 22.6 -4.6 58 58 A K - 0 0 40 -3,-0.4 94,-1.8 93,-0.1 2,-0.6 -0.445 42.9-146.0 -71.3 139.3 29.0 20.6 -2.0 59 59 A V E -D 151 0A 69 92,-0.2 2,-0.5 -2,-0.1 92,-0.2 -0.960 21.1-157.0-106.0 116.5 26.9 18.8 0.5 60 60 A I E -D 150 0A 0 90,-2.9 90,-3.2 -2,-0.6 2,-0.4 -0.862 8.0-162.7-103.7 133.3 28.9 18.8 3.7 61 61 A N E +D 149 0A 64 129,-2.8 129,-2.0 -2,-0.5 2,-0.3 -0.892 13.6 170.8-112.5 141.4 28.4 16.3 6.5 62 62 A F E +DE 148 189A 7 86,-2.4 86,-2.7 -2,-0.4 2,-0.3 -0.994 3.2 165.2-148.7 148.8 29.7 16.8 10.1 63 63 A S E + E 0 188A 59 125,-1.4 125,-3.1 -2,-0.3 2,-0.3 -0.981 25.2 82.8-157.6 161.1 29.2 15.1 13.4 64 64 A G E S- E 0 187A 45 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.944 72.6 -39.7 141.0-160.5 30.8 15.0 16.7 65 65 A S E - E 0 186A 54 121,-2.1 121,-2.7 -2,-0.3 2,-0.5 -0.905 38.3-176.0-112.6 136.0 30.9 16.8 20.0 66 66 A Y E + E 0 185A 13 -2,-0.4 119,-0.2 119,-0.2 8,-0.1 -0.951 10.5 166.2-132.7 106.7 30.8 20.6 20.4 67 67 A N E - E 0 184A 92 117,-3.0 117,-1.5 -2,-0.5 2,-0.1 -0.685 9.9-179.6-124.2 76.6 31.1 21.8 24.0 68 68 A P E - E 0 183A 38 0, 0.0 2,-0.4 0, 0.0 115,-0.3 -0.485 17.7-158.5 -77.8 144.7 31.8 25.6 24.1 69 69 A N E S- E 0 182A 120 113,-3.1 113,-1.5 -2,-0.1 2,-0.3 -0.755 71.0 -31.4-120.3 75.6 32.3 27.2 27.4 70 70 A G S S+ 0 0 19 -2,-0.4 25,-0.9 111,-0.2 2,-0.5 -0.835 118.3 20.8 117.7-148.5 31.6 30.8 26.4 71 71 A N S S+ 0 0 33 -2,-0.3 108,-2.4 108,-0.3 2,-0.3 -0.414 83.1 109.2 -67.6 112.7 32.2 32.7 23.2 72 72 A S E -I 178 0B 0 -2,-0.5 22,-3.1 106,-0.2 2,-0.3 -0.976 41.6-152.5-173.3 159.0 32.6 30.3 20.2 73 73 A Y E -IJ 177 93B 20 104,-1.7 104,-2.5 -2,-0.3 2,-0.5 -0.992 11.0-144.1-147.3 155.5 30.9 29.1 17.0 74 74 A L E +IJ 176 92B 1 18,-3.1 17,-2.3 -2,-0.3 18,-1.4 -0.984 41.4 146.4-115.9 121.9 30.7 26.0 14.8 75 75 A S E -IJ 175 90B 2 100,-2.6 100,-3.5 -2,-0.5 2,-0.5 -0.982 57.0-105.6-155.9 162.4 30.3 26.8 11.1 76 76 A V E -IJ 174 89B 1 13,-2.5 13,-2.4 -2,-0.3 2,-0.4 -0.803 53.0-174.2 -82.5 131.5 31.0 25.9 7.4 77 77 A Y E +IJ 173 88B 22 96,-3.0 96,-2.9 -2,-0.5 2,-0.3 -0.998 14.6 131.2-137.8 136.8 33.6 28.6 6.6 78 78 A G E -IJ 172 87B 0 9,-1.9 9,-2.7 -2,-0.4 2,-0.3 -0.956 36.7-114.9-166.0-176.3 35.3 29.6 3.4 79 79 A W E - J 0 86B 9 92,-1.5 91,-2.5 -2,-0.3 2,-0.3 -0.914 11.1-160.4-133.9 161.3 36.3 32.2 0.9 80 80 A S E > -IJ 169 85B 0 5,-2.1 5,-1.6 -2,-0.3 2,-0.3 -0.907 11.0-148.3-135.6 154.5 35.6 33.3 -2.7 81 81 A R E 5S+I 168 0B 92 87,-1.9 87,-2.6 -2,-0.3 3,-0.2 -0.942 71.2 46.4-124.4 151.0 37.7 35.4 -5.0 82 82 A N T 5S+ 0 0 140 -2,-0.3 -1,-0.2 85,-0.2 2,-0.1 0.912 130.0 33.2 45.0 67.1 36.4 37.7 -7.7 83 83 A P T 5S- 0 0 50 0, 0.0 2,-0.7 0, 0.0 84,-0.5 0.361 106.7-139.1 -80.4 153.4 34.5 38.7 -5.7 84 84 A L T 5 + 0 0 28 -3,-0.2 51,-0.8 49,-0.2 2,-0.4 -0.684 38.4 161.5 -77.9 111.9 36.5 38.5 -2.6 85 85 A I E < -Jk 80 135B 4 -5,-1.6 -5,-2.1 -2,-0.7 2,-0.5 -0.996 32.6-156.1-138.3 138.9 34.1 37.2 0.1 86 86 A E E -Jk 79 136B 18 49,-1.8 51,-2.0 -2,-0.4 2,-0.3 -0.978 28.7-172.5-110.2 124.8 34.5 35.5 3.4 87 87 A Y E -Jk 78 137B 0 -9,-2.7 -9,-1.9 -2,-0.5 2,-0.3 -0.885 17.5-167.5-127.2 159.0 31.4 33.4 4.3 88 88 A Y E -Jk 77 138B 14 49,-2.0 51,-2.1 -2,-0.3 2,-0.6 -0.998 13.3-166.5-142.3 135.5 29.9 31.5 7.3 89 89 A I E -Jk 76 139B 0 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.6 -0.948 29.6-154.2-121.4 95.2 27.0 29.0 7.6 90 90 A V E +Jk 75 140B 1 49,-3.1 51,-2.9 -2,-0.6 -15,-0.2 -0.723 24.7 172.6 -82.6 119.7 26.7 28.9 11.4 91 91 A E E - 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