==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-APR-10 3MFC . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPOLYSPORA FLEXUOSA; . AUTHOR A.MORIN,J.M.HARP . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 50.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 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 . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.3 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+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 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 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 1 0 3 3 0 3 1 1 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 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 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 G 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.6 24.9 38.9 -5.9 2 2 A S + 0 0 101 1,-0.6 2,-0.0 0, 0.0 32,-0.0 0.183 360.0 93.3 173.0 -50.6 23.8 38.2 -2.3 3 3 A D - 0 0 84 1,-0.1 -1,-0.6 29,-0.0 2,-0.4 -0.295 62.7-138.2 -57.4 154.8 24.6 35.5 -0.1 4 4 A T E -A 33 0A 67 29,-1.1 29,-3.2 -3,-0.1 2,-0.4 -0.953 7.7-152.0-122.3 137.5 27.7 36.3 2.1 5 5 A T E -A 32 0A 88 -2,-0.4 2,-0.3 27,-0.2 27,-0.2 -0.908 16.9-168.7-108.3 133.6 30.6 33.9 2.9 6 6 A I E +A 31 0A 13 25,-2.8 25,-2.2 -2,-0.4 3,-0.1 -0.881 23.4 174.0-121.7 154.6 32.4 34.5 6.2 7 7 A T + 0 0 73 -2,-0.3 20,-0.5 23,-0.2 2,-0.4 0.390 58.6 81.2-136.4 -5.5 35.6 33.1 7.7 8 8 A Q S S- 0 0 146 18,-0.1 13,-0.1 19,-0.1 -1,-0.1 -0.886 88.6 -93.5-113.2 143.2 36.2 35.1 10.9 9 9 A N + 0 0 83 -2,-0.4 2,-0.3 14,-0.2 13,-0.2 -0.230 69.1 127.1 -50.1 129.8 34.6 34.5 14.4 10 10 A Q E -F 21 0B 67 11,-2.0 11,-2.5 -4,-0.0 2,-0.3 -0.970 43.7-143.2-172.6 164.0 31.5 36.7 14.7 11 11 A T E +F 20 0B 85 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.923 36.7 122.0-132.9 164.4 27.8 36.8 15.5 12 12 A G E -F 19 0B 16 7,-2.0 7,-2.7 -2,-0.3 2,-0.4 -0.977 57.0 -70.5 175.2-163.3 25.1 38.9 13.9 13 13 A Y E -F 18 0B 158 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.991 39.4-179.5-124.8 131.5 21.8 38.9 12.1 14 14 A D E > S-F 17 0B 23 3,-2.9 3,-1.9 -2,-0.4 20,-0.1 -0.989 70.2 -15.2-134.6 122.0 21.5 37.7 8.5 15 15 A N T 3 S- 0 0 90 -2,-0.4 21,-0.2 1,-0.3 -1,-0.1 0.831 130.5 -50.2 55.0 34.1 18.2 37.7 6.5 16 16 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 19,-0.1 -1,-0.3 0.478 119.9 101.6 86.1 2.1 16.2 38.1 9.7 17 17 A Y E < S-F 14 0B 50 -3,-1.9 -3,-2.9 19,-0.3 -1,-0.2 -0.961 72.2-119.1-118.8 141.5 18.0 35.2 11.7 18 18 A F E -FG 13 54B 14 36,-1.4 36,-2.6 -2,-0.4 2,-0.3 -0.397 36.7-172.5 -63.1 144.8 20.7 35.4 14.4 19 19 A Y E -FG 12 53B 24 -7,-2.7 -7,-2.0 34,-0.2 2,-0.3 -0.986 13.1-166.3-138.8 155.6 23.9 33.5 13.3 20 20 A S E -FG 11 52B 6 32,-2.2 32,-2.6 -2,-0.3 2,-0.4 -0.997 2.7-174.6-138.4 141.8 27.1 32.6 15.1 21 21 A F E +FG 10 51B 2 -11,-2.5 -11,-2.0 -2,-0.3 2,-0.4 -0.990 12.8 164.8-136.4 127.1 30.4 31.4 13.6 22 22 A W E + G 0 50B 114 28,-2.0 28,-2.4 -2,-0.4 2,-0.3 -0.991 3.1 157.5-145.1 135.4 33.3 30.2 15.7 23 23 A T E - G 0 49B 3 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.988 34.5-151.5-145.2 155.6 36.5 28.3 15.1 24 24 A D S S+ 0 0 88 24,-2.0 25,-0.1 -2,-0.3 -1,-0.0 0.279 96.3 63.1 -99.2 11.1 39.9 27.9 16.7 25 25 A A S > S- 0 0 18 23,-0.5 3,-1.8 4,-0.0 4,-0.2 -0.547 77.4-165.2-132.1 67.6 41.4 27.1 13.2 26 26 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 4,-0.1 -0.236 74.1 31.2 -58.5 141.3 40.9 30.2 11.1 27 27 A G T 3 S+ 0 0 71 2,-0.5 3,-0.1 -20,-0.5 -19,-0.1 0.257 105.3 76.2 97.3 -6.6 41.3 29.6 7.4 28 28 A T S < S+ 0 0 41 -3,-1.8 16,-3.0 1,-0.2 2,-0.3 0.395 95.1 38.1-115.7 -1.4 40.1 26.0 7.5 29 29 A V E - B 0 43A 6 14,-0.3 -2,-0.5 -4,-0.2 2,-0.3 -0.989 60.3-177.9-149.8 144.1 36.3 26.5 7.8 30 30 A S E - B 0 42A 29 12,-2.4 12,-1.9 -2,-0.3 2,-0.4 -0.925 14.7-145.2-140.5 165.4 33.8 29.0 6.3 31 31 A M E -AB 6 41A 0 -25,-2.2 -25,-2.8 -2,-0.3 2,-0.5 -1.000 6.5-156.2-133.1 134.9 30.1 29.7 6.6 32 32 A T E -AB 5 40A 32 8,-2.6 8,-2.6 -2,-0.4 2,-0.6 -0.955 15.1-142.0-114.7 129.0 27.8 30.9 3.7 33 33 A L E -AB 4 39A 2 -29,-3.2 -29,-1.1 -2,-0.5 6,-0.2 -0.804 22.7-175.4 -99.4 117.7 24.7 32.7 4.8 34 34 A H - 0 0 40 4,-2.1 4,-0.2 -2,-0.6 -20,-0.0 -0.417 38.0 -62.0 -99.5 178.9 21.6 32.0 2.6 35 35 A S S > S- 0 0 85 -2,-0.1 3,-1.6 2,-0.1 -1,-0.2 -0.170 100.0 -13.2 -55.7 152.2 18.0 33.4 2.7 36 36 A G T 3 S- 0 0 31 1,-0.3 -19,-0.3 -21,-0.2 -22,-0.1 -0.132 131.1 -16.7 59.8-137.5 15.9 33.0 5.8 37 37 A G T 3 S+ 0 0 10 147,-0.2 147,-1.6 -21,-0.1 2,-0.3 0.010 108.6 111.6 -93.2 34.0 17.1 30.5 8.4 38 38 A S E < + C 0 183A 18 -3,-1.6 -4,-2.1 145,-0.2 2,-0.3 -0.785 31.4 154.0-114.8 147.1 19.5 28.8 6.0 39 39 A Y E -BC 33 182A 0 143,-2.3 143,-2.9 -2,-0.3 2,-0.3 -0.966 24.4-143.0-152.7 166.1 23.4 28.6 5.8 40 40 A S E -BC 32 181A 22 -8,-2.6 -8,-2.6 -2,-0.3 2,-0.3 -0.923 10.9-158.7-124.2 159.3 26.1 26.2 4.5 41 41 A T E -BC 31 180A 5 139,-2.5 139,-1.8 -2,-0.3 2,-0.3 -0.949 5.6-171.6-128.6 160.1 29.5 25.3 5.9 42 42 A S E +BC 30 179A 64 -12,-1.9 -12,-2.4 -2,-0.3 2,-0.3 -0.977 9.5 177.6-146.2 134.7 32.6 23.9 4.4 43 43 A W E -BC 29 178A 5 135,-2.8 135,-2.6 -2,-0.3 2,-0.4 -0.995 11.5-170.0-140.8 151.6 35.7 22.7 6.2 44 44 A R S S- 0 0 190 -16,-3.0 133,-0.2 -2,-0.3 132,-0.1 -0.947 75.8 -22.4-145.2 115.1 39.0 21.2 5.3 45 45 A N S S+ 0 0 117 -2,-0.4 132,-0.2 1,-0.1 -1,-0.1 0.923 95.2 172.7 49.9 54.3 41.5 19.7 7.8 46 46 A T - 0 0 11 130,-2.3 130,-0.3 1,-0.2 -1,-0.1 -0.098 36.0-143.5 -88.4-179.7 40.0 21.8 10.5 47 47 A G - 0 0 17 1,-0.2 128,-2.6 128,-0.2 2,-0.4 0.349 68.1 -29.4-105.3-114.3 40.4 22.2 14.3 48 48 A L E + H 0 174B 65 126,-0.2 -24,-2.0 -2,-0.1 -23,-0.5 -0.885 68.3 164.0-109.1 140.6 37.2 22.9 16.2 49 49 A F E -GH 23 173B 6 124,-2.1 124,-2.0 -2,-0.4 2,-0.3 -0.992 20.1-173.3-150.1 160.6 34.2 24.8 14.9 50 50 A L E +GH 22 172B 20 -28,-2.4 -28,-2.0 -2,-0.3 2,-0.4 -0.929 17.1 165.0-147.5 126.2 30.6 25.6 15.6 51 51 A A E +GH 21 171B 0 120,-2.4 120,-2.8 -2,-0.3 2,-0.3 -1.000 10.3 129.3-141.3 146.6 28.4 27.5 13.2 52 52 A G E -GH 20 170B 0 -32,-2.6 -32,-2.2 -2,-0.4 2,-0.3 -0.995 40.8-112.4-176.9 174.9 24.6 28.0 12.9 53 53 A K E +GH 19 169B 0 116,-1.1 116,-3.1 -2,-0.3 -34,-0.2 -0.918 54.3 97.3-119.1 153.4 21.5 30.1 12.6 54 54 A G E -GH 18 168B 1 -36,-2.6 -36,-1.4 -2,-0.3 2,-0.4 -0.714 69.1 -29.9 172.0-123.5 18.7 30.6 15.0 55 55 A W E - H 0 167B 35 112,-3.3 112,-2.5 -2,-0.2 3,-0.1 -0.966 32.3-137.1-134.7 143.1 17.7 33.1 17.7 56 56 A S S S+ 0 0 40 -2,-0.4 2,-0.5 110,-0.2 -1,-0.1 0.744 104.0 43.1 -72.5 -21.6 19.7 35.5 19.9 57 57 A T S S- 0 0 91 110,-0.1 109,-0.2 109,-0.1 -1,-0.2 -0.959 84.3-154.5-123.6 111.9 17.4 34.5 22.8 58 58 A G + 0 0 7 107,-3.3 2,-0.3 -2,-0.5 106,-0.2 -0.287 25.3 145.2 -75.0 165.4 16.6 30.8 23.0 59 59 A G - 0 0 18 2,-0.1 88,-0.0 -2,-0.0 106,-0.0 -0.907 61.7 -55.2-168.9-155.6 13.5 29.3 24.6 60 60 A R S S+ 0 0 130 -2,-0.3 88,-1.4 87,-0.1 89,-0.2 0.366 74.4 144.8 -81.4 2.7 11.0 26.5 24.4 61 61 A R - 0 0 66 86,-0.2 86,-0.9 1,-0.1 2,-0.4 -0.028 51.7-124.5 -44.9 136.9 10.0 27.1 20.8 62 62 A T E -D 146 0A 47 84,-0.2 125,-2.9 85,-0.1 2,-0.3 -0.677 38.3-173.2 -74.2 135.0 9.1 24.1 18.6 63 63 A V E -DE 145 186A 0 82,-2.4 82,-3.0 -2,-0.4 2,-0.4 -0.913 18.2-150.3-130.0 161.7 11.4 24.3 15.5 64 64 A T E +DE 144 185A 41 121,-2.9 121,-1.8 -2,-0.3 2,-0.3 -0.990 18.8 178.8-132.5 140.2 11.7 22.4 12.2 65 65 A Y E -DE 143 184A 5 78,-2.7 78,-2.3 -2,-0.4 2,-0.3 -0.922 17.9-161.1-134.6 163.6 14.8 21.9 10.2 66 66 A N E -DE 142 183A 99 117,-2.1 117,-2.6 -2,-0.3 2,-0.3 -0.982 21.8-179.3-143.2 139.7 16.2 20.3 7.1 67 67 A A E - E 0 182A 11 74,-2.3 2,-0.6 -2,-0.3 115,-0.2 -0.993 34.8-149.6-141.3 148.9 19.8 19.5 6.4 68 68 A S E - E 0 181A 59 113,-3.2 113,-1.9 -2,-0.3 2,-0.6 -0.970 32.6-170.7-103.3 119.6 22.3 18.1 4.1 69 69 A F E + E 0 180A 21 -2,-0.6 111,-0.2 111,-0.2 27,-0.1 -0.896 14.7 168.0-126.0 108.2 25.0 16.8 6.5 70 70 A N E + E 0 179A 85 109,-2.7 109,-1.3 -2,-0.6 2,-0.3 -0.500 8.3 162.6-125.5 65.9 28.3 15.6 4.9 71 71 A P E - E 0 178A 33 0, 0.0 107,-0.2 0, 0.0 4,-0.1 -0.533 26.0-163.3 -80.0 138.8 31.0 15.0 7.5 72 72 A S S S- 0 0 86 105,-3.0 106,-0.1 -2,-0.3 3,-0.1 0.951 79.5 -9.4 -71.4 -60.3 34.1 12.9 6.7 73 73 A G S S+ 0 0 14 104,-0.5 25,-1.6 1,-0.2 2,-0.7 0.549 120.8 1.8-107.5-119.8 35.0 12.4 10.3 74 74 A N E S+I 174 0B 37 100,-0.6 100,-2.2 23,-0.2 2,-0.3 -0.630 76.3 127.2 -88.0 114.0 33.8 13.8 13.6 75 75 A A E -I 173 0B 1 -2,-0.7 22,-1.8 98,-0.2 2,-0.3 -0.981 35.9-150.1-157.0 163.2 30.9 16.3 13.3 76 76 A R E -IJ 172 96B 50 96,-2.3 96,-2.7 -2,-0.3 2,-0.5 -0.984 14.0-145.2-140.4 152.6 27.4 16.8 14.7 77 77 A L E +IJ 171 95B 0 18,-2.4 17,-2.5 -2,-0.3 18,-1.5 -0.983 45.5 163.6-113.6 113.9 24.1 18.3 13.5 78 78 A T E -IJ 170 93B 0 92,-2.6 92,-3.8 -2,-0.5 2,-0.9 -0.990 52.1-130.5-145.7 138.7 22.7 19.9 16.7 79 79 A L E -IJ 169 92B 0 13,-3.1 13,-2.9 -2,-0.4 2,-0.3 -0.869 52.1-176.4 -86.5 108.2 20.2 22.3 18.1 80 80 A Y E +IJ 168 91B 17 88,-3.1 88,-3.2 -2,-0.9 2,-0.3 -0.844 13.8 146.9-114.3 144.3 22.7 24.1 20.4 81 81 A G E -IJ 167 90B 0 9,-2.2 9,-2.8 -2,-0.3 2,-0.3 -0.980 27.5-130.0-164.8-176.2 22.5 26.9 22.9 82 82 A W E - 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