==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-09 2WAA . COMPND 2 MOLECULE: XYLAN ESTERASE, PUTATIVE, AXE2C; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR C.MONTAINER,V.A.MONEY,V.M.R.PIRES,J.E.FLINT,B.A.PINHEIRO, . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.4 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 2 0 3 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 7 A M 0 0 229 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 96.6 38.5 -26.1 2 8 A S + 0 0 113 112,-0.0 2,-0.3 2,-0.0 114,-0.1 -0.800 360.0 173.4 -81.7 133.3 95.6 37.3 -22.6 3 9 A S - 0 0 50 -2,-0.4 112,-2.0 112,-0.3 2,-0.3 -0.925 22.1-144.0-136.0 155.3 93.1 39.7 -21.0 4 10 A T E -A 114 0A 86 -2,-0.3 2,-0.4 110,-0.2 110,-0.2 -0.899 6.2-157.1-118.6 159.2 90.9 39.8 -17.8 5 11 A H E -A 113 0A 57 108,-2.4 108,-2.9 -2,-0.3 2,-0.4 -0.980 9.2-169.4-139.6 115.9 87.5 41.2 -17.4 6 12 A T E +A 112 0A 69 -2,-0.4 2,-0.3 106,-0.2 106,-0.2 -0.926 7.0 177.1-116.0 130.4 86.3 42.3 -13.9 7 13 A I E -A 111 0A 23 104,-2.2 104,-2.5 -2,-0.4 4,-0.1 -0.927 31.8-105.9-126.3 154.9 82.7 43.2 -13.1 8 14 A A E -A 110 0A 27 -2,-0.3 102,-0.3 2,-0.2 6,-0.2 -0.386 32.7-112.9 -70.1 157.6 80.9 44.2 -9.9 9 15 A A S S+ 0 0 0 100,-1.8 2,-1.3 1,-0.2 18,-0.2 0.850 117.2 60.3 -60.2 -36.8 78.5 41.7 -8.2 10 16 A S S S+ 0 0 49 16,-2.4 -1,-0.2 99,-0.3 -2,-0.2 -0.816 79.9 122.5 -89.3 84.5 75.7 44.1 -9.1 11 17 A D S > S- 0 0 41 -2,-1.3 3,-2.2 3,-0.2 -4,-0.1 -0.968 73.3-116.9-138.9 149.5 76.3 43.9 -12.8 12 18 A P T 3 S+ 0 0 114 0, 0.0 109,-0.4 0, 0.0 -3,-0.0 0.653 110.7 66.3 -63.3 -16.3 73.7 42.9 -15.4 13 19 A H T 3 S+ 0 0 67 107,-0.1 2,-0.7 1,-0.1 27,-0.3 0.665 88.6 77.7 -75.7 -16.1 75.7 39.9 -16.4 14 20 A I S < S- 0 0 12 -3,-2.2 -3,-0.2 -6,-0.2 2,-0.2 -0.857 75.6-148.7-100.5 113.5 75.2 38.3 -13.0 15 21 A Q E -B 38 0A 54 23,-2.6 23,-2.1 -2,-0.7 2,-0.4 -0.554 14.2-162.7 -74.2 143.4 71.8 36.8 -12.5 16 22 A V E +B 37 0A 39 21,-0.2 2,-0.5 -2,-0.2 21,-0.2 -0.992 15.8 179.2-136.7 128.7 70.4 36.9 -9.0 17 23 A M E +B 36 0A 24 19,-2.6 19,-2.9 -2,-0.4 2,-0.1 -0.994 59.0 32.8-126.0 123.1 67.6 34.9 -7.5 18 24 A G S S- 0 0 10 -2,-0.5 2,-0.4 17,-0.2 156,-0.1 -0.396 102.5 -46.3 115.6 161.0 66.9 35.5 -3.8 19 25 A R + 0 0 5 156,-0.2 12,-0.4 -2,-0.1 13,-0.4 -0.516 59.7 169.7 -71.9 127.1 67.1 38.7 -1.6 20 26 A T - 0 0 5 -2,-0.4 2,-0.5 10,-0.1 10,-0.2 -0.964 29.2-136.2-132.0 151.4 70.3 40.8 -1.9 21 27 A H E -C 29 0A 65 8,-3.1 8,-2.2 -2,-0.3 2,-0.7 -0.920 20.6-139.8-104.3 128.5 71.3 44.2 -0.6 22 28 A I E -C 28 0A 85 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.822 20.9-151.3 -92.8 113.8 73.1 46.4 -3.2 23 29 A N > - 0 0 44 4,-2.8 3,-1.9 -2,-0.7 -13,-0.1 -0.379 27.5-105.2 -80.8 168.2 76.0 48.2 -1.5 24 30 A D T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.788 121.8 55.4 -65.7 -25.8 77.4 51.6 -2.6 25 31 A D T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.269 121.8-107.6 -88.4 13.3 80.5 49.9 -4.1 26 32 A A S < S+ 0 0 31 -3,-1.9 -16,-2.4 1,-0.3 -17,-0.2 0.576 77.7 133.7 69.2 13.5 78.2 47.7 -6.2 27 33 A S - 0 0 3 -18,-0.2 -4,-2.8 -19,-0.2 2,-0.4 -0.475 51.3-130.2 -77.1 163.3 78.9 44.5 -4.1 28 34 A L E -CD 22 108A 4 80,-2.4 80,-2.4 -6,-0.2 2,-0.4 -0.957 17.7-165.1-116.1 139.6 75.9 42.4 -3.0 29 35 A T E +CD 21 107A 17 -8,-2.2 -8,-3.1 -2,-0.4 2,-0.3 -0.963 12.0 175.0-122.9 140.8 75.3 41.2 0.5 30 36 A F E + D 0 106A 1 76,-2.4 76,-2.9 -2,-0.4 -10,-0.1 -0.990 23.4 173.6-148.3 153.7 72.9 38.4 1.4 31 37 A G + 0 0 0 172,-0.4 72,-0.2 -12,-0.4 73,-0.2 0.590 54.8 92.1-131.0 -29.9 71.8 36.5 4.4 32 38 A Y S > S- 0 0 1 171,-0.4 3,-0.9 -13,-0.4 65,-0.1 -0.444 79.5-108.7 -72.9 149.7 68.8 34.2 3.5 33 39 A P T 3 S+ 0 0 1 0, 0.0 142,-0.5 0, 0.0 65,-0.2 -0.370 97.6 36.1 -75.2 156.6 69.6 30.7 2.4 34 40 A G T 3 S+ 0 0 4 63,-3.2 2,-0.2 1,-0.3 139,-0.1 0.358 70.3 150.8 88.1 -7.7 69.2 29.7 -1.3 35 41 A V < - 0 0 2 -3,-0.9 62,-3.1 62,-0.2 2,-0.4 -0.464 30.6-162.4 -58.1 126.6 70.3 33.1 -2.7 36 42 A S E -BE 17 96A 4 -19,-2.9 -19,-2.6 60,-0.2 2,-0.4 -0.977 16.8-172.5-127.7 125.8 71.7 32.1 -6.0 37 43 A L E +BE 16 95A 5 58,-2.5 58,-2.9 -2,-0.4 2,-0.3 -0.950 16.4 176.4-120.0 133.1 74.1 34.1 -8.3 38 44 A S E +BE 15 94A 8 -23,-2.1 -23,-2.6 -2,-0.4 2,-0.3 -0.973 13.4 173.6-143.2 155.1 75.0 32.8 -11.7 39 45 A T E - E 0 93A 4 54,-2.2 54,-2.9 -2,-0.3 2,-0.4 -0.985 21.3-142.9-155.2 154.2 76.9 33.8 -14.8 40 46 A I E + E 0 92A 35 79,-0.4 79,-2.3 -27,-0.3 2,-0.3 -0.988 32.3 177.1-122.5 132.5 77.8 32.2 -18.1 41 47 A V E -FE 118 91A 0 50,-2.5 50,-2.3 -2,-0.4 2,-0.6 -0.918 34.3-134.8-135.1 161.6 81.3 33.1 -19.4 42 48 A A E +FE 117 90A 18 75,-2.8 74,-2.3 -2,-0.3 75,-1.3 -0.969 67.5 76.8-116.0 109.8 83.8 32.4 -22.2 43 49 A G E S-FE 115 89A 0 46,-2.4 46,-1.7 -2,-0.6 72,-0.3 -0.985 77.9-100.1 171.9-175.7 87.2 31.9 -20.7 44 50 A S E S+ 0 0 23 70,-2.2 41,-2.9 -2,-0.3 2,-0.3 0.570 94.8 24.9-109.7 -18.1 89.7 29.8 -18.8 45 51 A R E -FE 114 84A 86 69,-1.4 69,-3.1 39,-0.2 2,-0.4 -0.990 53.7-173.7-152.2 142.0 89.5 31.0 -15.2 46 52 A L E +FE 113 83A 0 37,-2.1 36,-3.1 -2,-0.3 37,-1.5 -0.992 9.6 177.9-138.5 128.6 86.9 32.8 -13.0 47 53 A T E -FE 112 81A 10 65,-2.0 65,-2.3 -2,-0.4 2,-0.4 -0.920 11.2-154.5-125.5 157.9 87.5 34.1 -9.5 48 54 A A E -FE 111 80A 1 32,-2.5 32,-3.6 -2,-0.3 2,-0.7 -0.987 16.3-133.3-130.8 144.2 85.3 36.0 -7.0 49 55 A E E +FE 110 79A 27 61,-2.4 60,-3.2 -2,-0.4 61,-0.6 -0.864 44.2 163.6 -92.6 116.9 86.1 38.4 -4.1 50 56 A M E +FE 108 78A 0 28,-2.4 28,-2.3 -2,-0.7 2,-0.3 -0.877 18.9 171.6-134.4 164.2 84.0 37.2 -1.2 51 57 A Q E -F 107 0A 54 56,-1.5 56,-3.0 -2,-0.3 2,-0.3 -0.952 18.3-144.2-161.5 155.5 83.7 37.5 2.6 52 58 A S E -F 106 0A 3 22,-1.7 54,-0.2 -2,-0.3 52,-0.1 -0.879 24.6-121.6-123.5 161.0 81.3 36.6 5.4 53 59 A S S S+ 0 0 59 52,-2.2 51,-0.1 -2,-0.3 53,-0.1 0.836 107.0 16.9 -73.3 -30.8 80.5 38.6 8.5 54 60 A N S S- 0 0 103 49,-0.2 -1,-0.2 51,-0.2 21,-0.2 0.235 99.6-114.1-123.9 6.4 81.5 36.0 11.1 55 61 A G S S+ 0 0 23 19,-0.2 20,-0.1 1,-0.1 49,-0.1 0.753 94.8 101.1 66.3 24.7 83.5 33.5 9.1 56 62 A N + 0 0 52 47,-0.3 2,-0.4 18,-0.1 18,-0.1 0.046 51.4 108.1-127.8 22.1 80.8 31.0 9.7 57 63 A S E -G 73 0A 0 16,-0.7 16,-3.0 48,-0.1 2,-0.4 -0.841 48.6-155.1-110.5 142.2 78.9 31.0 6.3 58 64 A W E -G 72 0A 35 -2,-0.4 40,-2.4 14,-0.2 41,-1.5 -0.886 8.9-175.6-118.5 147.3 78.9 28.4 3.6 59 65 A I E -GH 71 97A 0 12,-2.3 12,-2.6 -2,-0.4 2,-0.4 -0.926 19.3-135.4-128.7 157.2 78.3 28.5 -0.1 60 66 A D E -GH 70 96A 0 36,-2.6 36,-2.6 -2,-0.3 2,-0.5 -0.911 15.3-159.6-103.4 142.2 78.0 25.9 -2.9 61 67 A V E -GH 69 95A 7 8,-2.2 8,-2.2 -2,-0.4 2,-0.5 -0.992 7.9-170.8-121.6 125.8 79.8 26.5 -6.2 62 68 A I E - H 0 94A 25 32,-2.8 32,-2.2 -2,-0.5 2,-0.5 -0.984 4.7-165.4-124.3 120.1 78.6 24.6 -9.2 63 69 A I E > - H 0 93A 20 -2,-0.5 3,-2.6 4,-0.3 30,-0.2 -0.937 61.5 -49.7-107.7 120.4 80.5 24.7 -12.5 64 70 A D T 3 S- 0 0 47 28,-3.0 27,-0.1 -2,-0.5 30,-0.1 -0.221 116.3 -31.3 51.2-130.3 78.6 23.4 -15.5 65 71 A N T 3 S+ 0 0 146 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.180 104.6 126.5 -99.6 15.1 77.1 20.0 -14.5 66 72 A H S < S- 0 0 87 -3,-2.6 -3,-0.1 1,-0.1 3,-0.1 -0.284 73.3 -82.6 -74.0 163.6 79.9 19.0 -12.1 67 73 A P - 0 0 112 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.333 57.7-103.8 -59.4 140.9 79.4 17.9 -8.5 68 74 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.277 25.1-141.9 -66.9 155.9 79.1 21.0 -6.2 69 75 A T E -G 61 0A 86 -8,-2.2 -8,-2.2 -3,-0.1 2,-0.5 -0.980 11.3-148.2-117.0 126.5 81.9 22.2 -4.0 70 76 A S E -G 60 0A 50 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.852 18.8-175.8 -96.2 133.1 81.0 23.5 -0.6 71 77 A I E -G 59 0A 44 -12,-2.6 -12,-2.3 -2,-0.5 2,-0.5 -0.983 22.1-139.8-132.1 136.4 83.3 26.3 0.8 72 78 A K E -G 58 0A 97 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.828 27.4-134.7 -95.5 127.6 83.2 28.0 4.2 73 79 A L E -G 57 0A 1 -16,-3.0 -16,-0.7 -2,-0.5 -19,-0.1 -0.747 11.8-130.7 -92.8 129.9 84.0 31.8 3.7 74 80 A D - 0 0 74 -2,-0.5 -22,-1.7 2,-0.1 -19,-0.2 -0.251 21.1-117.8 -65.6 156.0 86.5 33.6 6.0 75 81 A A S S+ 0 0 49 -24,-0.2 2,-0.3 -21,-0.2 -1,-0.1 0.742 98.1 74.4 -68.0 -21.2 85.5 36.8 7.7 76 82 A Q S S- 0 0 142 1,-0.1 -24,-0.1 -25,-0.1 -2,-0.1 -0.673 102.9 -92.1 -88.7 150.5 88.4 38.5 5.7 77 83 A Q - 0 0 87 -2,-0.3 2,-0.3 -26,-0.1 -26,-0.2 -0.318 54.0-179.3 -55.1 137.9 88.0 39.3 2.0 78 84 A Q E -E 50 0A 46 -28,-2.3 -28,-2.4 -4,-0.1 2,-0.6 -0.997 33.4-117.1-143.7 142.7 89.4 36.3 -0.0 79 85 A T E -E 49 0A 85 -2,-0.3 2,-0.6 -30,-0.2 -30,-0.2 -0.754 32.9-159.8 -76.5 119.7 89.8 35.5 -3.7 80 86 A V E -E 48 0A 11 -32,-3.6 -32,-2.5 -2,-0.6 2,-0.5 -0.910 10.4-139.5-105.0 119.0 87.7 32.4 -4.3 81 87 A E E -E 47 0A 93 -2,-0.6 -34,-0.2 -34,-0.2 3,-0.1 -0.680 20.6-179.8 -78.0 123.8 88.6 30.4 -7.4 82 88 A L E - 0 0 11 -36,-3.1 2,-0.3 -2,-0.5 -35,-0.2 0.867 65.8 -17.5 -92.6 -45.2 85.3 29.3 -9.1 83 89 A F E -E 46 0A 8 -37,-1.5 -37,-2.1 2,-0.0 -1,-0.4 -0.986 53.9-174.6-153.7 161.5 86.9 27.4 -12.0 84 90 A H E +E 45 0A 106 -2,-0.3 -39,-0.2 -39,-0.2 -40,-0.1 -0.870 9.3 167.6-157.6 124.2 90.2 27.1 -13.8 85 91 A F E - 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0 0 0 -68,-0.1 3,-1.6 -67,-0.1 4,-0.9 -0.740 38.3 -83.9-117.8 176.3 71.0 31.5 6.9 101 107 A N G >4 S+ 0 0 5 76,-0.3 3,-0.6 1,-0.3 -69,-0.1 0.791 121.0 56.6 -51.7 -42.1 71.2 34.9 8.6 102 108 A W G 34 S+ 0 0 121 1,-0.3 -1,-0.3 103,-0.1 3,-0.1 0.794 102.1 58.7 -67.0 -23.3 72.2 34.0 12.1 103 109 A H G <4 S- 0 0 0 -3,-1.6 -47,-0.3 1,-0.3 2,-0.3 0.873 124.2 -97.0 -65.7 -35.3 75.3 32.3 10.6 104 110 A G << - 0 0 1 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.3 -0.900 37.2 -75.8 147.8-173.3 76.2 35.7 9.1 105 111 A Q - 0 0 43 -2,-0.3 -52,-2.2 -3,-0.1 2,-0.4 -0.938 37.0-143.8-119.7 146.6 75.8 37.6 5.9 106 112 A V E -DF 30 52A 0 -76,-2.9 -76,-2.4 -2,-0.4 2,-0.4 -0.875 8.5-157.4-109.2 144.5 78.0 36.9 2.8 107 113 A T E -DF 29 51A 16 -56,-3.0 -56,-1.5 -2,-0.4 2,-0.5 -0.979 6.6-164.1-122.8 132.2 79.2 39.6 0.4 108 114 A L E +DF 28 50A 1 -80,-2.4 -80,-2.4 -2,-0.4 -58,-0.2 -0.977 13.0 177.8-106.2 123.1 80.3 39.0 -3.2 109 115 A K E - 0 0 45 -60,-3.2 -100,-1.8 -2,-0.5 -99,-0.3 0.888 54.1 -27.8 -93.8 -47.1 82.2 42.1 -4.3 110 116 A Q E -AF 8 49A 85 -61,-0.6 -61,-2.4 -102,-0.3 2,-0.4 -0.977 49.3-130.9-165.9 160.5 83.4 41.4 -7.9 111 117 A L E -AF 7 48A 4 -104,-2.5 -104,-2.2 -2,-0.3 2,-0.5 -0.983 12.2-155.0-123.3 140.7 84.3 38.6 -10.3 112 118 A T E -AF 6 47A 34 -65,-2.3 -65,-2.0 -2,-0.4 2,-0.5 -0.972 8.9-164.6-119.3 120.0 87.4 38.5 -12.5 113 119 A L E -AF 5 46A 0 -108,-2.9 -108,-2.4 -2,-0.5 2,-0.7 -0.883 10.2-154.2-101.8 130.8 87.2 36.4 -15.8 114 120 A T E S+AF 4 45A 32 -69,-3.1 -70,-2.2 -2,-0.5 -69,-1.4 -0.921 70.2 48.1 -98.4 118.2 90.4 35.4 -17.5 115 121 A G E S- F 0 43A 14 -112,-2.0 -112,-0.3 -2,-0.7 -72,-0.3 -0.979 104.7 -51.2 151.4-143.7 89.2 35.0 -21.1 116 122 A T E S- 0 0 87 -74,-2.3 2,-0.3 -2,-0.3 -1,-0.2 0.877 91.4 -27.8-105.9 -53.1 87.1 36.9 -23.6 117 123 A Q E - 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