==== 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 3MF9 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPOLYSPORA FLEXUOSA; . AUTHOR A.MORIN,J.M.HARP . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 75.6 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 . 98 50.8 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 . 1 0.5 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 . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 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 2 1 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 0 A G 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 47.0 17.2 1.9 -23.6 2 1 A S + 0 0 99 1,-0.5 0, 0.0 32,-0.0 0, 0.0 0.182 360.0 95.5 170.0 -40.3 18.4 1.5 -20.0 3 2 A D - 0 0 83 1,-0.0 -1,-0.5 29,-0.0 2,-0.4 -0.268 60.6-139.0 -54.9 154.4 20.4 3.6 -17.8 4 3 A T E -A 33 0A 68 29,-1.2 29,-3.4 2,-0.0 2,-0.4 -0.978 8.4-153.4-124.6 136.2 18.3 5.8 -15.5 5 4 A T E -A 32 0A 84 -2,-0.4 2,-0.3 27,-0.3 27,-0.3 -0.912 16.0-169.7-108.5 133.3 18.8 9.4 -14.6 6 5 A I E +A 31 0A 16 25,-3.2 25,-2.2 -2,-0.4 3,-0.1 -0.864 22.6 174.6-121.6 156.8 17.4 10.8 -11.3 7 6 A T + 0 0 73 -2,-0.3 20,-0.5 23,-0.2 2,-0.4 0.361 59.2 80.5-138.0 -4.9 17.0 14.2 -9.9 8 7 A Q S S- 0 0 151 18,-0.1 13,-0.1 19,-0.1 -1,-0.1 -0.904 89.2 -92.7-113.6 144.5 15.1 13.7 -6.6 9 8 A N + 0 0 69 -2,-0.4 2,-0.3 14,-0.2 13,-0.2 -0.220 68.8 126.4 -51.7 133.3 16.4 12.6 -3.2 10 9 A Q E -B 21 0A 66 11,-1.9 11,-2.5 -4,-0.0 2,-0.3 -0.975 42.4-145.0-174.3 165.4 16.0 8.8 -2.9 11 10 A T E +B 20 0A 86 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.947 36.7 121.2-135.0 166.9 17.9 5.5 -2.2 12 11 A G E -B 19 0A 15 7,-2.1 7,-2.6 -2,-0.3 2,-0.4 -0.975 58.0 -68.4 172.0-160.1 17.4 2.1 -3.6 13 12 A Y E -B 18 0A 157 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.986 39.9-180.0-127.4 128.1 19.0 -0.7 -5.5 14 13 A D E > S-B 17 0A 24 3,-2.9 3,-1.9 -2,-0.4 20,-0.1 -0.993 70.5 -14.2-131.6 124.5 20.0 -0.3 -9.1 15 14 A N T 3 S- 0 0 87 -2,-0.4 21,-0.2 1,-0.3 -1,-0.1 0.830 131.1 -49.6 52.9 36.0 21.7 -3.1 -11.2 16 15 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 19,-0.1 -1,-0.3 0.477 119.8 100.9 86.8 1.9 22.4 -5.1 -8.0 17 16 A Y E < S-B 14 0A 51 -3,-1.9 -3,-2.9 19,-0.3 -1,-0.2 -0.962 71.6-120.4-120.7 143.6 24.0 -2.2 -6.0 18 17 A F E -BC 13 54A 15 36,-1.5 36,-2.7 -2,-0.4 2,-0.3 -0.389 35.9-172.5 -67.0 147.6 22.6 0.1 -3.4 19 18 A Y E -BC 12 53A 23 -7,-2.6 -7,-2.1 34,-0.3 2,-0.4 -0.987 13.8-164.5-143.0 155.0 22.6 3.8 -4.3 20 19 A S E -BC 11 52A 5 32,-2.2 32,-2.3 -2,-0.3 2,-0.4 -0.998 4.3-177.0-137.0 142.5 21.9 7.0 -2.5 21 20 A F E +BC 10 51A 1 -11,-2.5 -11,-1.9 -2,-0.4 2,-0.4 -0.987 13.2 164.8-140.0 125.0 21.3 10.5 -4.0 22 21 A R E + C 0 50A 164 28,-2.1 28,-2.2 -2,-0.4 2,-0.3 -0.975 1.6 159.1-146.0 132.2 20.7 13.5 -1.8 23 22 A T E - C 0 49A 11 -2,-0.4 26,-0.2 26,-0.2 -14,-0.2 -0.978 36.0-152.0-145.0 155.4 20.8 17.3 -2.3 24 23 A D S S+ 0 0 101 24,-1.9 25,-0.1 -2,-0.3 -1,-0.1 0.243 96.1 62.8-100.8 9.6 19.5 20.5 -0.8 25 24 A A S > S- 0 0 18 23,-0.5 3,-1.9 4,-0.0 4,-0.2 -0.556 76.2-165.8-129.1 63.6 19.4 22.1 -4.2 26 25 A P T 3 S+ 0 0 105 0, 0.0 -18,-0.1 0, 0.0 4,-0.1 -0.269 74.1 29.8 -57.9 141.4 17.0 20.1 -6.4 27 26 A G T 3 S+ 0 0 73 2,-0.5 3,-0.1 -20,-0.5 -19,-0.1 0.252 104.7 79.0 94.4 -4.6 17.3 20.9 -10.1 28 27 A T S < S+ 0 0 39 -3,-1.9 16,-2.7 1,-0.2 2,-0.3 0.421 95.1 34.6-110.9 1.4 21.0 21.6 -9.9 29 28 A V E - D 0 43A 6 14,-0.2 -2,-0.5 -4,-0.2 2,-0.3 -0.988 59.8-175.7-157.2 142.4 22.4 18.1 -9.8 30 29 A S E - D 0 42A 28 12,-2.3 12,-1.8 -2,-0.3 2,-0.4 -0.932 13.8-145.5-137.9 166.4 21.5 14.7 -11.3 31 30 A M E -AD 6 41A 0 -25,-2.2 -25,-3.2 -2,-0.3 2,-0.5 -0.999 6.6-156.7-135.3 131.8 22.8 11.2 -11.1 32 31 A T E -AD 5 40A 32 8,-2.6 8,-2.6 -2,-0.4 2,-0.6 -0.945 15.3-141.8-113.5 128.6 22.8 8.7 -13.9 33 32 A L E -AD 4 39A 3 -29,-3.4 -29,-1.2 -2,-0.5 6,-0.2 -0.811 22.6-175.6 -99.0 118.0 22.8 5.0 -12.9 34 33 A H - 0 0 42 4,-2.0 4,-0.3 -2,-0.6 -20,-0.0 -0.391 38.1 -59.5 -98.8 179.1 25.0 2.7 -15.0 35 34 A S S > S- 0 0 82 -2,-0.1 3,-1.6 2,-0.1 -1,-0.2 -0.197 99.7 -16.2 -55.8 152.9 25.5 -1.1 -15.0 36 35 A G T 3 S- 0 0 30 1,-0.3 -19,-0.3 -21,-0.2 -22,-0.1 -0.161 131.2 -14.9 55.6-133.8 26.9 -2.7 -11.9 37 36 A G T 3 S+ 0 0 7 153,-0.2 153,-1.8 -21,-0.1 2,-0.3 0.025 109.4 110.1 -95.0 32.4 28.5 -0.5 -9.4 38 37 A S E < + E 0 189A 25 -3,-1.6 -4,-2.0 -4,-0.3 2,-0.3 -0.788 32.0 152.2-114.7 149.6 28.8 2.5 -11.7 39 38 A Y E -DE 33 188A 0 149,-2.3 149,-2.8 -2,-0.3 2,-0.3 -0.970 25.2-140.6-156.1 167.6 27.1 5.9 -11.9 40 39 A S E -DE 32 187A 21 -8,-2.6 -8,-2.6 -2,-0.3 2,-0.3 -0.921 10.8-159.3-125.9 159.8 27.8 9.4 -13.1 41 40 A T E -DE 31 186A 4 145,-2.5 145,-2.0 -2,-0.3 2,-0.3 -0.957 5.6-172.9-130.7 157.1 26.9 12.8 -11.7 42 41 A S E +DE 30 185A 67 -12,-1.8 -12,-2.3 -2,-0.3 2,-0.3 -0.974 10.5 176.1-144.4 135.3 26.5 16.2 -13.2 43 42 A W E -DE 29 184A 4 141,-2.8 141,-2.7 -2,-0.3 2,-0.4 -0.993 13.0-167.7-144.4 149.3 26.0 19.4 -11.3 44 43 A R S S- 0 0 185 -16,-2.7 139,-0.2 -2,-0.3 137,-0.1 -0.957 75.8 -23.2-142.1 115.6 25.8 23.2 -12.1 45 44 A N S S+ 0 0 121 -2,-0.4 138,-0.2 1,-0.1 -1,-0.1 0.927 93.8 173.0 48.2 54.1 25.8 25.9 -9.6 46 45 A T - 0 0 11 136,-2.4 -1,-0.1 1,-0.2 3,-0.1 -0.129 35.9-140.5 -87.8 175.0 24.7 23.5 -6.9 47 46 A G - 0 0 15 1,-0.2 134,-3.2 134,-0.1 2,-0.4 0.486 69.2 -32.4 -97.1-110.9 24.2 23.7 -3.1 48 47 A L E + F 0 180A 83 132,-0.2 -24,-1.9 133,-0.1 -23,-0.5 -0.941 68.3 162.8-112.0 138.9 25.2 20.6 -1.2 49 48 A F E -CF 23 179A 4 130,-2.2 130,-2.5 -2,-0.4 2,-0.3 -0.993 20.2-171.2-149.6 157.7 24.9 17.0 -2.6 50 49 A V E +CF 22 178A 28 -28,-2.2 -28,-2.1 -2,-0.3 2,-0.3 -0.974 17.7 166.4-141.3 129.9 26.2 13.5 -2.0 51 50 A A E +CF 21 177A 0 126,-2.3 126,-3.1 -2,-0.3 2,-0.3 -0.999 10.8 127.3-142.5 144.3 25.6 10.7 -4.5 52 51 A G E -CF 20 176A 0 -32,-2.3 -32,-2.2 -2,-0.3 2,-0.3 -0.990 41.9-113.3-177.2 173.8 27.0 7.2 -4.9 53 52 A K E +CF 19 175A 0 122,-1.1 122,-3.0 -2,-0.3 -34,-0.3 -0.897 54.2 97.7-119.2 155.5 26.7 3.5 -5.2 54 53 A G E -CF 18 174A 1 -36,-2.7 -36,-1.5 -2,-0.3 2,-0.4 -0.724 69.5 -28.6 170.6-120.7 27.8 0.8 -2.8 55 54 A W E - F 0 173A 34 118,-3.0 118,-2.6 -2,-0.2 3,-0.1 -0.976 32.4-137.1-134.6 143.7 26.1 -1.3 -0.1 56 55 A S S S+ 0 0 41 -2,-0.4 2,-0.5 116,-0.2 -1,-0.1 0.748 104.2 42.0 -76.6 -18.0 23.1 -0.8 2.2 57 56 A T S S- 0 0 92 116,-0.1 115,-0.2 115,-0.1 -1,-0.2 -0.963 84.8-155.2-126.0 112.7 25.1 -2.3 5.0 58 57 A G + 0 0 9 113,-3.1 2,-0.3 -2,-0.5 112,-0.2 -0.216 23.1 149.3 -75.7 169.1 28.8 -1.3 5.2 59 58 A G - 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