==== 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 3MFA . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPOLYSPORA FLEXUOSA; . AUTHOR A.MORIN,J.M.HARP . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 50.0 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 1.0 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 . 0 0.0 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 . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-158.9 21.0 41.0 59.2 2 2 A S + 0 0 106 1,-0.4 2,-0.0 0, 0.0 0, 0.0 0.294 360.0 100.7 171.5 -31.7 21.3 40.1 55.6 3 3 A D - 0 0 83 1,-0.0 -1,-0.4 29,-0.0 2,-0.4 -0.366 62.5-136.1 -54.1 156.2 18.5 39.2 53.4 4 4 A T E -A 33 0A 66 29,-1.1 29,-3.3 -3,-0.1 2,-0.5 -0.956 9.8-152.3-124.5 135.1 17.7 42.2 51.2 5 5 A T E -A 32 0A 85 -2,-0.4 2,-0.3 27,-0.2 27,-0.2 -0.912 16.5-170.0-107.3 132.6 14.2 43.6 50.3 6 6 A I E +A 31 0A 14 25,-3.0 25,-2.1 -2,-0.5 3,-0.1 -0.876 22.1 173.8-121.9 155.4 13.8 45.5 47.0 7 7 A T + 0 0 83 -2,-0.3 20,-0.5 23,-0.2 2,-0.4 0.391 58.5 79.0-137.1 -5.3 10.9 47.5 45.5 8 8 A Q S S- 0 0 132 18,-0.1 -1,-0.1 19,-0.1 13,-0.1 -0.895 89.7 -89.9-115.2 144.2 12.3 49.0 42.3 9 9 A N + 0 0 74 -2,-0.4 2,-0.3 14,-0.2 13,-0.2 -0.178 69.3 127.2 -49.6 129.3 12.7 47.3 38.8 10 10 A Q E -B 21 0A 53 11,-2.0 11,-2.4 -4,-0.0 2,-0.3 -0.979 43.2-143.3-172.2 163.1 16.1 45.7 38.5 11 11 A T E +B 20 0A 88 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.927 37.0 120.8-131.8 163.7 18.1 42.6 37.7 12 12 A G E -B 19 0A 15 7,-1.9 7,-2.6 -2,-0.3 2,-0.4 -0.982 56.7 -69.6 174.4-166.5 21.2 41.3 39.3 13 13 A Y E +B 18 0A 162 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.983 39.7 178.4-120.4 129.1 22.9 38.5 41.2 14 14 A D E > S-B 17 0A 24 3,-3.0 3,-1.9 -2,-0.4 20,-0.1 -0.989 70.1 -15.4-133.1 124.0 22.1 37.6 44.8 15 15 A N T 3 S- 0 0 89 -2,-0.4 21,-0.2 1,-0.3 -1,-0.1 0.825 130.0 -50.6 54.1 33.5 23.6 34.8 46.8 16 16 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 19,-0.1 -1,-0.3 0.477 119.5 101.3 86.5 2.6 25.0 33.3 43.6 17 17 A Y E < S-B 14 0A 47 -3,-1.9 -3,-3.0 19,-0.3 -1,-0.2 -0.961 72.1-119.0-120.3 140.2 21.7 33.3 41.7 18 18 A F E -BC 13 54A 15 36,-1.5 36,-2.5 -2,-0.4 2,-0.3 -0.429 36.1-171.1 -62.7 143.5 20.4 35.7 39.0 19 19 A Y E -BC 12 53A 24 -7,-2.6 -7,-1.9 34,-0.2 2,-0.4 -0.985 12.8-165.6-139.0 153.4 17.2 37.5 40.0 20 20 A S E -BC 11 52A 6 32,-2.4 32,-2.3 -2,-0.3 2,-0.4 -0.996 3.2-175.4-136.0 141.7 14.8 39.8 38.2 21 21 A F E +BC 10 51A 2 -11,-2.4 -11,-2.0 -2,-0.4 2,-0.4 -0.977 12.9 164.3-138.7 123.3 12.1 42.1 39.6 22 22 A W E + C 0 50A 77 28,-2.1 28,-2.4 -2,-0.4 2,-0.3 -0.994 1.9 155.9-143.1 134.2 9.6 44.0 37.4 23 23 A T E - C 0 49A 4 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.981 35.3-152.2-147.2 157.3 6.3 45.8 38.1 24 24 A D S S+ 0 0 94 24,-1.9 25,-0.1 -2,-0.3 -1,-0.0 0.249 95.3 64.8-104.5 7.7 4.3 48.5 36.5 25 25 A A S > S- 0 0 18 23,-0.5 3,-1.8 4,-0.0 4,-0.2 -0.550 76.8-164.0-128.4 66.0 2.9 49.3 39.9 26 26 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 4,-0.1 -0.227 74.0 27.5 -57.4 137.7 5.8 50.6 42.0 27 27 A G T 3 S+ 0 0 71 2,-0.5 3,-0.1 -20,-0.5 -19,-0.1 0.263 104.7 78.9 97.9 -8.4 5.0 50.6 45.8 28 28 A T S < S+ 0 0 41 -3,-1.8 16,-2.5 1,-0.2 2,-0.3 0.392 95.0 36.1-111.3 -0.1 2.5 47.8 45.7 29 29 A V E - D 0 43A 6 14,-0.2 -2,-0.5 -4,-0.2 2,-0.3 -0.994 60.5-176.8-153.4 145.0 4.8 44.8 45.5 30 30 A S E - D 0 42A 29 12,-2.3 12,-1.8 -2,-0.3 2,-0.4 -0.939 14.4-143.9-141.2 164.5 8.2 43.9 46.9 31 31 A M E -AD 6 41A 0 -25,-2.1 -25,-3.0 -2,-0.3 2,-0.5 -0.998 6.6-156.1-133.0 132.1 10.7 41.0 46.7 32 32 A T E -AD 5 40A 34 8,-2.7 8,-2.6 -2,-0.4 2,-0.6 -0.951 15.1-142.3-112.2 125.0 12.9 39.7 49.5 33 33 A L E -AD 4 39A 2 -29,-3.3 -29,-1.1 -2,-0.5 6,-0.2 -0.774 22.9-175.8 -94.8 118.3 16.1 37.9 48.5 34 34 A H - 0 0 41 4,-2.1 4,-0.2 -2,-0.6 -20,-0.0 -0.392 37.6 -60.2-100.6-179.8 17.0 34.9 50.6 35 35 A S S > S- 0 0 83 -2,-0.1 3,-1.5 2,-0.1 -1,-0.2 -0.187 100.0 -16.2 -54.7 151.4 20.0 32.5 50.7 36 36 A G T 3 S- 0 0 30 1,-0.2 -19,-0.3 -21,-0.2 -22,-0.1 -0.146 131.6 -15.3 55.4-135.9 20.7 30.5 47.5 37 37 A G T 3 S+ 0 0 7 153,-0.2 153,-1.8 -21,-0.1 2,-0.3 -0.039 108.9 112.8 -92.4 32.3 18.0 30.3 44.9 38 38 A S E < + E 0 189A 27 -3,-1.5 -4,-2.1 -4,-0.2 2,-0.3 -0.816 31.4 154.2-112.4 146.8 15.3 31.5 47.3 39 39 A Y E -DE 33 188A 0 149,-2.3 149,-2.9 -2,-0.3 2,-0.3 -0.967 24.3-142.3-153.1 165.0 13.1 34.6 47.5 40 40 A S E -DE 32 187A 20 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.3 -0.924 11.0-160.4-123.9 157.4 9.8 35.9 48.8 41 41 A T E -DE 31 186A 6 145,-2.5 145,-1.9 -2,-0.3 2,-0.3 -0.950 5.1-172.0-129.4 158.1 7.3 38.3 47.3 42 42 A S E +DE 30 185A 67 -12,-1.8 -12,-2.3 -2,-0.3 2,-0.3 -0.966 9.7 176.9-145.4 133.4 4.5 40.3 48.9 43 43 A W E -DE 29 184A 5 141,-2.9 141,-2.8 -2,-0.3 2,-0.4 -0.989 11.8-171.3-140.4 149.6 1.9 42.3 47.0 44 44 A R S S- 0 0 185 -16,-2.5 139,-0.2 -2,-0.3 138,-0.1 -0.952 76.3 -22.4-143.4 116.9 -1.2 44.3 47.9 45 45 A N S S+ 0 0 120 -2,-0.4 138,-0.2 1,-0.1 -16,-0.1 0.921 94.6 171.3 48.6 53.2 -3.7 45.8 45.4 46 46 A T - 0 0 12 136,-2.3 136,-0.3 1,-0.2 -1,-0.1 -0.123 35.7-141.7 -88.0 178.4 -1.0 45.6 42.7 47 47 A G - 0 0 17 1,-0.2 134,-2.8 134,-0.2 2,-0.4 0.429 67.7 -28.8-100.6-110.6 -0.9 46.1 38.9 48 48 A L E + F 0 180A 47 132,-0.2 -24,-1.9 2,-0.0 -23,-0.5 -0.916 68.5 161.9-112.0 137.1 1.3 43.7 36.9 49 49 A F E -CF 23 179A 1 130,-2.1 130,-2.3 -2,-0.4 2,-0.3 -0.998 21.6-172.4-149.7 155.1 4.5 42.1 38.2 50 50 A V E +CF 22 178A 19 -28,-2.4 -28,-2.1 -2,-0.3 2,-0.3 -0.965 18.6 165.9-141.9 130.3 6.9 39.3 37.6 51 51 A A E +CF 21 177A 0 126,-2.2 126,-3.0 -2,-0.3 2,-0.3 -0.999 10.8 122.3-143.2 143.8 9.7 38.4 40.1 52 52 A G E -CF 20 176A 0 -32,-2.3 -32,-2.4 -2,-0.3 2,-0.3 -0.986 42.8-108.1 179.4 176.2 12.0 35.4 40.5 53 53 A K E +CF 19 175A 0 122,-1.0 122,-2.9 -2,-0.3 -34,-0.2 -0.882 54.7 96.8-120.2 154.8 15.5 33.8 40.8 54 54 A G E -CF 18 174A 1 -36,-2.5 -36,-1.5 -2,-0.3 2,-0.4 -0.753 70.0 -26.7 170.8-120.4 17.3 31.5 38.4 55 55 A W E - F 0 173A 34 118,-3.1 118,-2.5 -2,-0.2 3,-0.1 -0.971 31.7-138.6-136.4 140.2 19.9 32.0 35.7 56 56 A S S S+ 0 0 42 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.745 104.1 42.4 -70.9 -22.0 20.9 34.9 33.5 57 57 A T S S- 0 0 91 116,-0.1 -1,-0.2 115,-0.1 115,-0.2 -0.949 85.1-153.6-124.6 112.3 21.3 32.4 30.6 58 58 A G + 0 0 8 113,-3.1 2,-0.3 -2,-0.5 112,-0.2 -0.213 24.4 146.4 -75.6 168.1 18.5 29.8 30.3 59 59 A G - 0 0 18 2,-0.1 94,-0.0 -4,-0.0 -4,-0.0 -0.923 61.2 -56.3-173.3-160.0 18.7 26.4 28.8 60 60 A R S S+ 0 0 131 -2,-0.3 94,-1.3 93,-0.1 95,-0.2 0.399 74.3 146.2 -81.9 1.3 17.5 22.8 29.0 61 61 A R - 0 0 64 92,-0.2 92,-0.8 1,-0.1 2,-0.4 -0.009 51.1-125.2 -42.0 134.3 18.6 22.3 32.7 62 62 A T E -G 152 0A 49 90,-0.2 131,-2.5 91,-0.1 2,-0.3 -0.707 37.8-171.4 -74.9 134.3 16.5 20.0 34.8 63 63 A V E -GH 151 192A 0 88,-2.5 88,-3.2 -2,-0.4 2,-0.4 -0.905 19.0-151.9-129.1 159.0 15.4 22.0 37.9 64 64 A T E +GH 150 191A 43 127,-2.8 127,-1.7 -2,-0.3 2,-0.3 -0.994 19.5 179.1-130.9 137.4 13.7 21.3 41.2 65 65 A Y E -GH 149 190A 6 84,-2.6 84,-2.1 -2,-0.4 2,-0.3 -0.905 17.8-161.5-134.8 161.8 11.7 23.9 43.2 66 66 A N E +GH 148 189A 98 123,-2.1 123,-2.5 -2,-0.3 2,-0.3 -0.983 21.6 179.7-142.0 139.1 9.7 24.2 46.3 67 67 A A E - H 0 188A 12 80,-2.3 2,-0.6 -2,-0.3 121,-0.2 -0.993 35.3-149.3-145.4 145.5 7.2 27.0 47.0 68 68 A S E - H 0 187A 60 119,-3.1 119,-2.1 -2,-0.3 2,-0.6 -0.980 33.1-173.0-101.6 117.9 4.7 28.5 49.3 69 69 A F E + H 0 186A 20 -2,-0.6 117,-0.2 117,-0.2 27,-0.1 -0.891 14.8 165.6-125.9 104.7 2.2 30.1 46.9 70 70 A N E + H 0 185A 86 115,-2.3 115,-1.4 -2,-0.6 2,-0.3 -0.555 8.5 169.1-126.5 69.1 -0.6 32.2 48.4 71 71 A P E - 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