==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-01 1I8A . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR V.NOTENBOOM,A.B.BORASTON,R.A.J.WARREN,D.G.KILBURN,D.R.ROSE . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 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 . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 2 0 2 2 1 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 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 M 0 0 84 0, 0.0 183,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.3 39.5 55.8 6.0 2 1 A V E +a 184 0A 115 181,-0.2 2,-0.3 183,-0.1 183,-0.2 -0.961 360.0 161.8-128.2 144.6 36.9 58.6 5.3 3 2 A A E -a 185 0A 5 181,-2.1 183,-2.8 -2,-0.4 2,-0.3 -0.888 24.0-129.6-147.0 174.5 33.1 58.5 5.1 4 3 A T E -a 186 0A 43 -2,-0.3 2,-0.4 181,-0.2 42,-0.3 -0.933 5.3-156.4-133.4 157.9 30.2 61.0 5.3 5 4 A A E -a 187 0A 0 181,-2.2 183,-2.1 -2,-0.3 42,-0.2 -0.994 19.3-135.7-135.3 125.0 26.9 61.3 7.1 6 5 A K E -ab 188 47A 66 40,-0.9 42,-1.5 -2,-0.4 183,-0.2 -0.459 30.1 -98.8 -80.6 152.5 24.0 63.4 5.8 7 6 A Y E + b 0 48A 89 181,-1.0 2,-0.3 182,-1.0 42,-0.2 -0.475 68.9 117.5 -68.4 138.3 22.0 65.7 8.0 8 7 A G - 0 0 5 40,-3.0 46,-0.1 -2,-0.2 39,-0.1 -0.888 55.3-125.9 169.2 160.2 18.7 64.0 9.1 9 8 A T - 0 0 83 -2,-0.3 2,-0.1 38,-0.1 10,-0.1 -0.855 27.7-174.7-130.2 96.3 16.6 62.7 12.0 10 9 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 6,-0.1 -0.416 31.9-108.2 -84.4 165.1 15.4 59.1 11.7 11 10 A V - 0 0 90 4,-0.1 2,-1.0 -2,-0.1 3,-0.3 -0.842 30.3-128.4 -94.7 124.9 13.0 57.5 14.2 12 11 A I S S+ 0 0 18 -2,-0.5 107,-0.1 1,-0.2 121,-0.1 -0.618 70.7 107.7 -78.3 103.4 14.8 54.9 16.4 13 12 A D S S- 0 0 73 -2,-1.0 -1,-0.2 2,-0.3 108,-0.2 0.381 90.7 -98.7-153.7 -4.4 12.7 51.7 16.1 14 13 A G S S+ 0 0 0 1,-0.4 2,-0.3 -3,-0.3 108,-0.1 0.382 88.5 115.8 94.2 -5.0 14.6 49.2 14.0 15 14 A E S S- 0 0 103 -4,-0.3 2,-0.9 106,-0.1 -1,-0.4 -0.757 73.7-112.7 -96.8 145.5 12.7 50.0 10.8 16 15 A I - 0 0 86 -2,-0.3 5,-0.0 -3,-0.1 115,-0.0 -0.693 29.5-148.7 -86.3 103.6 14.5 51.6 7.9 17 16 A D > - 0 0 36 -2,-0.9 3,-1.1 -6,-0.2 4,-0.3 -0.274 23.2-117.1 -62.5 154.5 13.3 55.2 7.3 18 17 A E G > S+ 0 0 172 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.861 110.9 69.0 -62.3 -35.6 13.4 56.4 3.7 19 18 A I G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.730 81.4 72.9 -58.4 -24.1 15.9 59.1 4.7 20 19 A W G X S+ 0 0 1 -3,-1.1 3,-1.3 1,-0.3 -1,-0.3 0.806 87.0 66.1 -61.3 -27.7 18.6 56.4 5.3 21 20 A N G < S+ 0 0 110 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.654 89.0 66.7 -67.4 -16.7 18.8 56.1 1.5 22 21 A T G < S+ 0 0 81 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.572 94.8 65.7 -82.9 -7.6 20.2 59.6 1.2 23 22 A T S < S- 0 0 4 -3,-1.3 -18,-0.1 -4,-0.3 24,-0.1 -0.847 90.9 -97.8-117.1 151.6 23.4 58.8 2.9 24 23 A E - 0 0 81 -2,-0.3 22,-0.6 -20,-0.1 2,-0.4 -0.175 30.4-128.8 -65.4 157.1 26.3 56.5 1.8 25 24 A E E -C 45 0A 64 20,-0.1 2,-0.3 -4,-0.1 20,-0.2 -0.899 21.7-167.2-107.2 133.7 26.7 53.0 3.1 26 25 A I E -C 44 0A 14 18,-2.8 18,-3.0 -2,-0.4 2,-0.3 -0.853 10.8-138.5-116.9 157.5 30.0 51.8 4.5 27 26 A E E -C 43 0A 64 -2,-0.3 2,-1.1 16,-0.2 16,-0.2 -0.866 15.1-122.6-118.2 151.1 31.0 48.2 5.2 28 27 A T + 0 0 2 14,-1.5 140,-0.3 -2,-0.3 14,-0.1 -0.774 54.0 140.8 -90.4 98.9 32.9 46.6 8.1 29 28 A K + 0 0 141 -2,-1.1 2,-1.0 138,-0.4 139,-0.2 0.341 31.8 106.1-120.7 4.1 35.8 45.0 6.2 30 29 A A E -D 167 0A 18 137,-3.1 137,-2.7 -3,-0.1 2,-0.4 -0.762 59.9-156.6 -88.7 102.8 38.7 45.6 8.7 31 30 A V E +D 166 0A 51 -2,-1.0 135,-0.2 135,-0.2 3,-0.1 -0.679 34.1 160.2 -89.2 128.7 39.2 42.1 10.2 32 31 A A E S+ 0 0 38 133,-3.1 2,-0.3 1,-0.4 134,-0.2 0.648 81.2 7.4-107.6 -34.1 40.9 41.6 13.6 33 32 A M E S+D 165 0A 89 132,-1.9 132,-2.3 2,-0.0 -1,-0.4 -0.989 115.8 5.8-151.2 140.7 39.5 38.1 14.0 34 33 A G S S- 0 0 39 -2,-0.3 2,-0.3 130,-0.2 130,-0.1 -0.510 84.5 -77.7 87.1-159.0 37.6 35.7 11.8 35 34 A S >> - 0 0 39 -2,-0.2 4,-3.0 1,-0.1 3,-0.6 -0.988 23.8-117.3-144.6 153.6 36.9 36.3 8.1 36 35 A L T 34 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.836 115.0 46.0 -57.6 -36.3 34.4 38.4 6.0 37 36 A D T 34 S+ 0 0 142 1,-0.1 -1,-0.2 3,-0.0 4,-0.1 0.696 122.8 32.9 -84.2 -17.5 32.9 35.3 4.4 38 37 A K T <4 S+ 0 0 68 -3,-0.6 2,-0.2 2,-0.1 -2,-0.2 0.670 112.6 56.7-110.8 -21.8 32.5 33.3 7.6 39 38 A N S < S- 0 0 16 -4,-3.0 21,-0.1 1,-0.1 -5,-0.0 -0.701 91.6 -74.0-115.9 167.1 31.9 35.9 10.3 40 39 A A + 0 0 1 -2,-0.2 2,-0.3 19,-0.1 21,-0.2 -0.233 50.7 168.2 -57.7 133.8 29.4 38.6 11.2 41 40 A T E - E 0 60A 30 19,-0.9 19,-3.0 111,-0.1 2,-0.3 -0.915 18.8-138.9-140.5 164.2 29.7 41.9 9.2 42 41 A A E - E 0 59A 4 -2,-0.3 -14,-1.5 17,-0.2 2,-0.5 -0.962 11.0-142.2-136.0 150.8 27.5 44.9 8.8 43 42 A K E -CE 27 58A 111 15,-2.2 15,-3.0 -2,-0.3 2,-0.4 -0.937 37.1-163.2-103.0 124.9 26.2 47.4 6.2 44 43 A V E -CE 26 57A 0 -18,-3.0 -18,-2.8 -2,-0.5 2,-0.4 -0.927 21.5-177.0-124.3 141.2 26.2 50.8 7.9 45 44 A R E -CE 25 56A 55 11,-2.2 11,-2.7 -2,-0.4 2,-0.4 -0.967 13.9-158.2-128.0 144.5 24.6 54.2 7.2 46 45 A V E + E 0 55A 3 -22,-0.6 -40,-0.9 -2,-0.4 2,-0.3 -0.983 13.7 170.9-131.0 138.8 25.1 57.3 9.3 47 46 A L E -bE 6 54A 0 7,-2.3 7,-3.7 -2,-0.4 2,-0.3 -0.850 9.6-168.5-133.6 169.0 23.0 60.5 9.7 48 47 A W E +bE 7 53A 3 -42,-1.5 -40,-3.0 -2,-0.3 2,-0.3 -0.987 12.2 178.5-157.2 161.6 23.3 63.4 12.2 49 48 A D - 0 0 8 3,-2.2 -40,-0.0 -2,-0.3 93,-0.0 -0.858 56.7 -73.4-150.5-178.6 21.6 66.5 13.5 50 49 A E S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.2 86,-0.1 0.743 128.2 30.9 -56.7 -25.4 22.4 69.1 16.1 51 50 A N S S+ 0 0 94 1,-0.2 85,-2.1 89,-0.1 2,-0.3 0.735 119.9 23.9-107.7 -27.0 21.8 66.7 19.0 52 51 A Y E - F 0 135A 85 83,-0.2 -3,-2.2 81,-0.0 2,-0.4 -0.920 54.8-134.0-140.1 166.0 22.6 63.2 17.9 53 52 A L E -EF 48 134A 0 81,-1.8 81,-2.6 -2,-0.3 2,-0.4 -0.952 31.6-149.7-113.2 134.2 24.6 61.0 15.6 54 53 A Y E -EF 47 133A 12 -7,-3.7 -7,-2.3 -2,-0.4 2,-0.4 -0.920 12.3-170.4-113.8 138.1 22.4 58.2 14.1 55 54 A V E -EF 46 132A 2 77,-2.4 77,-2.9 -2,-0.4 2,-0.6 -0.988 9.6-169.9-131.1 130.0 23.7 54.8 13.0 56 55 A L E -EF 45 131A 4 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.970 12.9-178.3-117.0 114.1 21.9 52.1 11.1 57 56 A A E -EF 44 130A 1 73,-3.1 73,-2.9 -2,-0.6 2,-0.8 -0.949 14.0-162.7-120.5 116.0 23.7 48.8 11.0 58 57 A I E -EF 43 129A 47 -15,-3.0 -15,-2.2 -2,-0.5 2,-0.5 -0.861 20.4-156.4 -96.4 111.4 22.4 45.8 9.1 59 58 A V E -EF 42 128A 3 69,-3.0 69,-1.6 -2,-0.8 2,-0.7 -0.783 12.7-149.4 -99.1 128.4 24.2 42.8 10.5 60 59 A K E +EF 41 127A 83 -19,-3.0 -19,-0.9 -2,-0.5 67,-0.3 -0.842 41.9 138.3 -91.1 117.6 24.7 39.5 8.7 61 60 A D - 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