==== 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 1I82 . 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) . 8137.0 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 95 0, 0.0 183,-4.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -48.7 39.5 55.7 6.4 2 1 A V E +a 184 0A 100 181,-0.2 2,-0.3 183,-0.1 183,-0.2 -0.970 360.0 153.4-127.6 138.9 36.9 58.4 5.4 3 2 A A E -a 185 0A 2 181,-2.3 183,-2.9 -2,-0.4 2,-0.3 -0.887 27.9-127.0-147.8 174.0 33.1 58.4 5.1 4 3 A T E -a 186 0A 40 -2,-0.3 2,-0.4 181,-0.2 42,-0.3 -0.935 6.4-156.8-131.4 155.5 30.2 60.8 5.2 5 4 A A E -a 187 0A 0 181,-2.4 183,-2.3 -2,-0.3 42,-0.2 -0.996 19.8-134.2-132.7 125.0 26.9 61.1 7.1 6 5 A K E -ab 188 47A 61 40,-0.9 42,-1.7 -2,-0.4 183,-0.2 -0.421 28.8-101.5 -78.4 151.7 23.9 63.2 5.9 7 6 A Y E + b 0 48A 93 181,-1.0 2,-0.2 40,-0.2 42,-0.2 -0.503 68.7 114.0 -71.0 139.1 22.0 65.5 8.1 8 7 A G - 0 0 5 40,-3.0 46,-0.1 -2,-0.2 39,-0.0 -0.883 57.0-122.6 167.9 161.9 18.7 64.0 9.2 9 8 A T - 0 0 83 -2,-0.2 2,-0.1 38,-0.1 10,-0.1 -0.827 28.4-175.1-131.0 95.4 16.5 62.6 12.0 10 9 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 6,-0.1 -0.368 32.1-107.1 -82.4 164.7 15.3 59.0 11.7 11 10 A V - 0 0 89 4,-0.1 2,-1.0 -2,-0.1 3,-0.3 -0.830 29.7-128.5 -93.9 127.1 12.9 57.3 14.2 12 11 A I S S+ 0 0 20 -2,-0.5 107,-0.1 1,-0.2 121,-0.1 -0.634 70.5 107.8 -79.0 104.8 14.7 54.8 16.4 13 12 A D S S- 0 0 71 -2,-1.0 -1,-0.2 2,-0.3 108,-0.1 0.329 90.4 -99.2-156.7 0.0 12.6 51.6 16.1 14 13 A G S S+ 0 0 0 1,-0.3 2,-0.3 -3,-0.3 108,-0.1 0.384 88.4 115.6 89.4 -6.7 14.5 49.1 14.0 15 14 A E S S- 0 0 105 -4,-0.3 2,-1.0 106,-0.1 -1,-0.3 -0.729 74.3-111.1 -95.7 146.6 12.6 49.9 10.8 16 15 A I - 0 0 88 -2,-0.3 5,-0.0 -3,-0.1 115,-0.0 -0.668 29.8-146.1 -86.0 103.3 14.4 51.4 7.9 17 16 A D > - 0 0 34 -2,-1.0 3,-1.4 -6,-0.2 4,-0.4 -0.290 20.9-120.5 -61.3 149.1 13.3 55.0 7.4 18 17 A E G > S+ 0 0 171 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.884 110.1 68.2 -58.5 -36.9 13.3 56.2 3.8 19 18 A I G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.702 81.7 72.2 -58.1 -23.2 15.8 58.9 4.8 20 19 A W G X S+ 0 0 2 -3,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.786 86.9 68.0 -63.2 -24.4 18.6 56.3 5.4 21 20 A N G < S+ 0 0 109 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.639 88.5 65.4 -68.5 -14.8 18.6 56.0 1.5 22 21 A T G < S+ 0 0 79 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.478 95.1 65.6 -88.6 -3.1 20.1 59.5 1.2 23 22 A T S < S- 0 0 5 -3,-1.3 -18,-0.1 -4,-0.2 24,-0.1 -0.879 90.9 -95.9-121.0 152.0 23.4 58.7 2.9 24 23 A E - 0 0 83 -2,-0.3 22,-0.6 -20,-0.2 2,-0.4 -0.228 31.0-129.7 -66.2 153.5 26.2 56.4 1.9 25 24 A E E -C 45 0A 62 20,-0.1 2,-0.3 -4,-0.1 20,-0.2 -0.863 21.6-165.8-104.2 134.3 26.6 52.8 3.1 26 25 A I E -C 44 0A 12 18,-3.0 18,-3.3 -2,-0.4 2,-0.3 -0.854 9.4-139.2-117.0 158.3 29.9 51.6 4.6 27 26 A E E -C 43 0A 60 -2,-0.3 2,-1.0 16,-0.2 16,-0.2 -0.890 14.9-124.4-120.0 147.8 31.0 48.1 5.3 28 27 A T + 0 0 2 14,-1.5 140,-0.3 -2,-0.3 14,-0.1 -0.793 53.7 140.0 -89.3 102.7 32.9 46.4 8.1 29 28 A K + 0 0 138 -2,-1.0 2,-1.1 138,-0.5 139,-0.2 0.287 31.5 107.6-125.9 5.5 35.8 44.8 6.3 30 29 A A E -D 167 0A 18 137,-3.0 137,-2.6 -3,-0.1 2,-0.4 -0.772 60.5-156.6 -88.7 98.5 38.6 45.5 8.7 31 30 A V E +D 166 0A 53 -2,-1.1 135,-0.2 135,-0.2 3,-0.1 -0.655 34.6 159.7 -86.1 129.3 39.2 42.0 10.1 32 31 A A E S+ 0 0 38 133,-2.9 2,-0.3 1,-0.4 134,-0.2 0.618 80.5 6.2-110.0 -33.4 40.8 41.5 13.5 33 32 A M E S+D 165 0A 88 132,-1.8 132,-2.7 2,-0.0 -1,-0.4 -0.976 115.8 7.5-154.1 139.1 39.4 37.9 14.0 34 33 A G S S- 0 0 39 -2,-0.3 2,-0.3 130,-0.2 130,-0.1 -0.499 83.6 -79.9 88.5-161.9 37.5 35.6 11.7 35 34 A S > - 0 0 39 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.969 22.9-117.4-141.8 157.5 36.7 36.2 8.0 36 35 A L T 4 S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.838 114.7 45.6 -62.9 -35.4 34.2 38.2 6.0 37 36 A D T 4 S+ 0 0 142 1,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.670 123.2 33.7 -84.2 -15.2 32.7 35.1 4.4 38 37 A K T 4 S+ 0 0 69 -3,-0.4 2,-0.2 2,-0.1 -2,-0.2 0.623 112.8 54.2-113.8 -18.2 32.4 33.1 7.6 39 38 A N S < S- 0 0 19 -4,-2.5 21,-0.1 1,-0.1 2,-0.1 -0.732 90.8 -71.9-121.3 169.9 31.7 35.7 10.3 40 39 A A + 0 0 0 -2,-0.2 2,-0.3 19,-0.1 113,-0.2 -0.272 51.3 165.3 -60.1 131.2 29.3 38.5 11.2 41 40 A T E - E 0 60A 28 19,-1.0 19,-2.9 111,-0.1 2,-0.3 -0.912 20.1-139.5-140.4 165.0 29.6 41.8 9.3 42 41 A A E - E 0 59A 3 -2,-0.3 -14,-1.5 17,-0.2 2,-0.5 -0.971 11.5-141.5-136.4 151.3 27.4 44.8 8.8 43 42 A K E -CE 27 58A 110 15,-2.0 15,-2.8 -2,-0.3 2,-0.4 -0.934 37.2-160.9-102.5 123.7 26.2 47.3 6.2 44 43 A V E -CE 26 57A 0 -18,-3.3 -18,-3.0 -2,-0.5 2,-0.4 -0.927 21.3-175.7-122.6 139.2 26.1 50.7 7.9 45 44 A R E -CE 25 56A 54 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.957 14.3-158.5-123.4 141.3 24.4 54.0 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 13.7 170.9-130.2 135.8 25.0 57.1 9.3 47 46 A L E -bE 6 54A 0 7,-2.4 7,-3.6 -2,-0.4 2,-0.3 -0.826 9.2-167.9-130.7 169.0 23.0 60.3 9.8 48 47 A W E +bE 7 53A 4 -42,-1.7 -40,-3.0 -2,-0.3 2,-0.3 -0.995 12.8 177.5-158.3 159.1 23.2 63.3 12.2 49 48 A D - 0 0 6 3,-2.2 -40,-0.0 -2,-0.3 93,-0.0 -0.838 56.9 -74.7-147.1-177.6 21.5 66.4 13.6 50 49 A E S S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 86,-0.0 0.756 128.2 32.4 -58.4 -24.9 22.4 69.0 16.2 51 50 A N S S+ 0 0 95 1,-0.2 85,-2.2 89,-0.1 2,-0.3 0.750 119.5 22.0-106.9 -25.9 21.8 66.6 19.1 52 51 A Y E - F 0 135A 79 83,-0.3 -3,-2.2 81,-0.0 2,-0.4 -0.930 54.5-132.8-141.8 165.4 22.7 63.1 18.0 53 52 A L E -EF 48 134A 0 81,-2.1 81,-2.8 -2,-0.3 2,-0.4 -0.939 32.8-150.0-110.4 135.4 24.6 60.9 15.6 54 53 A Y E -EF 47 133A 12 -7,-3.6 -7,-2.4 -2,-0.4 2,-0.4 -0.933 11.8-169.2-115.1 137.2 22.4 58.1 14.1 55 54 A V E -EF 46 132A 3 77,-2.4 77,-2.8 -2,-0.4 2,-0.6 -0.983 10.0-169.9-129.9 128.9 23.6 54.7 13.1 56 55 A L E -EF 45 131A 3 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.5 -0.972 13.5-178.0-114.7 116.9 21.8 52.0 11.1 57 56 A A E -EF 44 130A 0 73,-3.2 73,-3.1 -2,-0.6 2,-0.8 -0.961 14.0-162.7-123.0 117.0 23.6 48.7 11.1 58 57 A I E -EF 43 129A 44 -15,-2.8 -15,-2.0 -2,-0.5 2,-0.4 -0.874 19.9-157.3 -98.4 109.6 22.3 45.7 9.2 59 58 A V E -EF 42 128A 2 69,-3.0 69,-1.6 -2,-0.8 2,-0.6 -0.773 12.7-149.8 -98.4 130.0 24.1 42.6 10.6 60 59 A K E +EF 41 127A 84 -19,-2.9 -19,-1.0 -2,-0.4 67,-0.3 -0.868 40.7 140.0 -93.8 117.3 24.6 39.4 8.8 61 60 A D - 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