==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-10 3LB9 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR I.D'ANGELO,S.REITINGER,M.LUDWICZEK,N.STRYNADKA,S.G.WITHERS, . 546 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 252 46.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 70 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 3 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 0 0 0 0 3 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 . 2 1 0 0 3 8 6 6 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 1 0 1 1 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 2 A A 0 0 66 0, 0.0 178,-2.9 0, 0.0 177,-2.0 0.000 360.0 360.0 360.0 151.9 -23.4 -7.8 -15.8 2 3 A T E +A 177 0A 82 175,-0.3 2,-0.3 176,-0.2 175,-0.2 -0.911 360.0 143.3-106.3 128.4 -19.8 -9.0 -15.6 3 4 A F E -A 176 0A 10 173,-1.8 173,-2.5 -2,-0.5 2,-0.3 -0.989 44.5-105.4-159.7 163.3 -17.1 -6.5 -16.7 4 5 A T E -Ab 175 141A 53 136,-0.6 138,-1.3 -2,-0.3 2,-0.4 -0.667 26.4-147.0 -95.7 147.6 -13.6 -5.1 -16.0 5 6 A Q E -Ab 174 142A 13 169,-3.4 169,-1.7 -2,-0.3 2,-0.4 -0.943 4.4-147.2-115.4 136.2 -12.8 -1.7 -14.4 6 7 A Y E -Ab 173 143A 21 136,-1.4 138,-2.0 -2,-0.4 2,-0.4 -0.855 19.6-165.7-100.5 138.3 -9.8 0.5 -15.2 7 8 A W E -Ab 172 144A 14 165,-2.0 165,-1.5 -2,-0.4 2,-0.4 -0.975 23.9-177.6-130.3 136.7 -8.3 2.6 -12.5 8 9 A S E -Ab 171 145A 0 136,-0.6 138,-3.0 -2,-0.4 2,-0.5 -0.970 22.5-179.9-123.2 114.0 -6.0 5.5 -12.2 9 10 A V E -Ab 170 146A 0 161,-2.6 161,-2.9 -2,-0.4 138,-0.2 -0.930 26.4-125.2-126.4 111.1 -5.4 6.3 -8.5 10 11 A R E -A 169 0A 30 136,-2.1 159,-0.2 -2,-0.5 3,-0.1 -0.105 18.9-128.3 -45.1 143.0 -3.2 9.1 -7.1 11 12 A Q S S+ 0 0 101 157,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.494 95.9 21.6 -75.5 -2.4 -0.6 7.8 -4.6 12 13 A S S S- 0 0 69 156,-0.3 -1,-0.2 135,-0.1 -2,-0.0 -0.905 100.7 -85.6-165.1 137.2 -1.9 10.6 -2.3 13 14 A K - 0 0 119 -2,-0.3 135,-0.3 -3,-0.1 3,-0.1 -0.145 51.6-122.0 -46.3 123.9 -5.1 12.6 -2.0 14 15 A R - 0 0 28 133,-3.1 -1,-0.1 1,-0.1 135,-0.1 -0.441 28.4 -98.2 -75.2 141.0 -4.9 15.6 -4.4 15 16 A P - 0 0 104 0, 0.0 2,-0.5 0, 0.0 104,-0.2 -0.281 38.3-153.5 -54.8 139.7 -5.3 19.1 -3.0 16 17 A T + 0 0 55 1,-0.1 106,-0.2 102,-0.1 3,-0.1 -0.975 63.8 64.1-126.4 121.4 -8.8 20.5 -3.4 17 18 A G S S+ 0 0 42 1,-0.8 2,-0.2 -2,-0.5 -1,-0.1 0.080 90.0 62.4 159.0 -27.7 -9.5 24.3 -3.7 18 19 A S S S- 0 0 95 -3,-0.1 -1,-0.8 1,-0.1 101,-0.5 -0.709 99.2 -74.0-114.2 168.6 -7.8 25.3 -6.9 19 20 A N E -J 118 0B 114 -2,-0.2 2,-0.3 99,-0.2 99,-0.3 -0.450 49.5-164.2 -64.6 127.5 -8.4 24.3 -10.5 20 21 A A E -J 117 0B 6 97,-3.7 97,-2.5 -2,-0.2 2,-0.4 -0.876 5.5-144.9-112.6 150.0 -7.0 20.8 -11.2 21 22 A T E -J 116 0B 41 -2,-0.3 2,-0.5 95,-0.2 95,-0.2 -0.940 9.5-166.5-119.9 135.1 -6.4 19.3 -14.7 22 23 A I E -J 115 0B 0 93,-2.3 2,-1.3 -2,-0.4 93,-1.0 -0.847 7.6-160.9-119.0 93.8 -6.8 15.7 -15.9 23 24 A T E >> -J 114 0B 37 -2,-0.5 3,-1.2 91,-0.2 4,-0.7 -0.613 11.5-170.0 -71.6 97.8 -5.1 15.2 -19.2 24 25 A F H 3> S+ 0 0 0 -2,-1.3 4,-2.1 89,-1.2 3,-0.4 0.772 75.0 67.4 -68.8 -29.5 -7.1 12.0 -20.1 25 26 A T H 3> S+ 0 0 42 88,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.750 96.0 59.5 -64.3 -22.6 -5.0 11.0 -23.1 26 27 A N H <> S+ 0 0 67 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.898 108.3 42.2 -69.3 -42.0 -2.1 10.4 -20.7 27 28 A H H X S+ 0 0 0 -4,-0.7 4,-1.7 -3,-0.4 -2,-0.2 0.829 111.8 56.4 -73.7 -33.5 -4.1 7.8 -18.8 28 29 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 41.3 -63.7 -49.5 -5.5 6.2 -22.0 29 30 A N H X S+ 0 0 87 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.872 112.0 55.3 -67.1 -38.9 -2.1 5.5 -23.5 30 31 A A H < S+ 0 0 13 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.852 110.6 46.8 -62.2 -34.4 -0.7 4.4 -20.2 31 32 A W H ><>S+ 0 0 1 -4,-1.7 5,-2.9 2,-0.2 3,-1.0 0.882 109.0 54.2 -73.8 -39.6 -3.5 1.9 -20.0 32 33 A K H ><5S+ 0 0 116 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.891 101.4 59.3 -57.7 -41.7 -2.9 0.8 -23.6 33 34 A S T 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 107.0 47.8 -64.2 -19.0 0.7 0.1 -22.8 34 35 A H T < 5S- 0 0 78 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.102 125.8 -98.1-109.0 20.6 -0.5 -2.5 -20.3 35 36 A G T < 5S+ 0 0 60 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.712 80.9 136.6 73.5 21.2 -3.0 -4.2 -22.5 36 37 A M < + 0 0 7 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.851 29.5 178.5-104.3 100.1 -5.9 -2.2 -21.1 37 38 A N - 0 0 80 -2,-0.8 2,-0.1 -3,-0.1 -8,-0.0 -0.834 18.5-136.0-108.7 139.7 -8.1 -1.1 -24.1 38 39 A L - 0 0 33 -2,-0.4 2,-0.1 1,-0.1 102,-0.1 -0.280 32.6 -86.0 -85.3 172.3 -11.4 0.8 -23.9 39 40 A G - 0 0 3 100,-0.2 99,-0.3 2,-0.2 -1,-0.1 -0.406 22.0-129.8 -80.1 154.6 -14.6 0.2 -25.8 40 41 A S S S+ 0 0 99 98,-2.6 2,-0.6 97,-0.3 98,-0.2 0.668 96.0 70.3 -75.1 -17.6 -15.4 1.5 -29.3 41 42 A N E S-C 137 0A 75 96,-2.8 96,-3.5 98,-0.2 2,-0.5 -0.895 76.7-152.6-106.4 113.8 -18.7 2.8 -28.1 42 43 A W E -C 136 0A 46 -2,-0.6 94,-0.2 94,-0.2 3,-0.1 -0.721 12.3-175.1 -94.3 127.6 -18.4 5.8 -25.7 43 44 A A E - 0 0 11 92,-1.9 66,-2.7 -2,-0.5 -1,-0.1 0.122 48.1 -41.6 -89.1-150.8 -21.0 6.6 -23.1 44 45 A Y E - 0 0 12 64,-0.2 91,-1.1 65,-0.1 -1,-0.3 -0.146 49.8-157.0 -74.8 174.4 -21.1 9.6 -20.8 45 46 A Q E +CD 134 106A 0 61,-1.5 61,-2.7 89,-0.2 2,-0.3 -0.828 20.4 158.8-161.5 111.4 -18.0 11.1 -19.1 46 47 A V E -CD 133 105A 0 87,-3.1 87,-3.7 59,-0.3 2,-0.9 -0.856 48.9-117.0-135.6 163.5 -18.0 13.3 -15.9 47 48 A M E +CD 132 104A 0 57,-1.2 57,-0.6 -2,-0.3 85,-0.3 -0.854 62.2 179.1 -97.1 92.9 -16.0 14.6 -13.0 48 49 A A E -CD 131 103A 0 83,-1.8 83,-1.1 -2,-0.9 2,-0.6 -0.373 42.4-126.8-106.2 170.3 -18.2 12.9 -10.5 49 50 A T E -CD 130 102A 0 53,-2.8 53,-0.8 81,-0.2 2,-0.5 -0.880 31.1-168.1-113.6 94.5 -18.6 12.2 -6.7 50 51 A E E +CD 129 101A 11 79,-1.7 79,-3.4 -2,-0.6 2,-0.3 -0.736 10.7 179.1 -86.7 126.3 -18.9 8.4 -6.3 51 52 A G E +CD 128 100A 0 49,-1.9 49,-1.5 -2,-0.5 2,-0.3 -0.915 13.8 177.4-129.1 154.4 -20.1 7.3 -2.9 52 53 A Y E S-C 127 0A 65 75,-1.9 75,-0.7 -2,-0.3 47,-0.2 -0.894 70.3 -13.5-158.4 127.8 -20.8 4.0 -1.1 53 54 A Q E S+ 0 0 26 45,-0.4 74,-0.3 44,-0.4 2,-0.3 0.942 111.7 96.3 46.4 58.0 -21.8 3.2 2.5 54 55 A S E - 0 0 0 43,-0.4 43,-2.1 44,-0.2 2,-0.3 -0.968 61.9-136.8-161.3 170.0 -21.0 6.7 3.6 55 56 A S E +C 125 0A 10 70,-1.5 70,-2.0 -2,-0.3 2,-0.3 -0.959 41.9 110.7-134.8 154.5 -22.2 10.3 4.3 56 57 A G E -CE 124 94A 6 38,-2.2 38,-0.9 -2,-0.3 2,-0.3 -0.977 49.3 -95.6 173.4-160.4 -20.5 13.5 3.4 57 58 A S E +CE 123 93A 3 66,-1.0 66,-2.8 -2,-0.3 2,-0.3 -0.970 28.2 173.6-155.7 135.4 -20.5 16.7 1.3 58 59 A S E -CE 122 92A 0 34,-1.5 34,-2.1 -2,-0.3 2,-0.3 -0.961 14.5-165.8-141.1 159.0 -18.9 17.9 -1.9 59 60 A N E +CE 121 91A 18 62,-2.1 61,-1.6 -2,-0.3 62,-1.2 -0.811 19.9 175.1-148.7 102.9 -18.9 20.9 -4.2 60 61 A V E - E 0 90A 0 30,-1.7 30,-1.7 -2,-0.3 2,-0.4 -0.805 14.6-163.1-115.8 151.6 -17.4 20.5 -7.7 61 62 A T E - E 0 89A 18 -2,-0.3 57,-1.7 57,-0.3 2,-0.5 -0.995 2.9-163.1-135.4 129.2 -17.2 22.8 -10.8 62 63 A V B -K 117 0B 2 26,-1.3 55,-0.2 -2,-0.4 2,-0.2 -0.932 13.2-148.5-123.9 117.0 -16.5 21.7 -14.3 63 64 A W + 0 0 123 53,-1.3 53,-0.4 -2,-0.5 2,-0.3 -0.415 41.3 114.1 -91.1 140.4 -15.4 24.3 -16.8 64 65 A G - 0 0 46 -2,-0.2 3,-0.3 3,-0.1 -2,-0.1 -0.778 57.0-136.1 168.2 147.1 -16.2 24.2 -20.4 65 66 A A S S+ 0 0 112 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.742 111.8 49.9 -75.8 -34.1 -18.3 26.2 -22.7 66 67 A S S S+ 0 0 73 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.128 72.1 122.9-104.8 34.6 -19.2 22.9 -23.9 67 68 A T + 0 0 25 -3,-0.3 39,-0.2 1,-0.1 -3,-0.1 -0.848 23.0 156.0 -95.3 128.4 -20.2 20.8 -21.0 68 69 A D + 0 0 107 37,-1.1 38,-0.2 -2,-0.5 2,-0.2 0.693 33.2 93.2-118.6 -29.4 -23.6 19.5 -21.3 69 70 A Y E -F 105 0A 62 36,-1.3 36,-2.1 -24,-0.2 2,-0.5 -0.490 46.9-162.6 -86.0 139.8 -24.2 16.3 -19.5 70 71 A W E -F 104 0A 64 34,-0.2 2,-0.6 -2,-0.2 34,-0.2 -0.954 7.2-165.3-120.5 113.2 -25.6 16.0 -15.9 71 72 A Q E +F 103 0A 5 32,-3.4 32,-2.5 -2,-0.5 2,-0.2 -0.865 20.0 156.4-103.4 120.4 -25.1 12.7 -14.1 72 73 A N E +F 102 0A 74 -2,-0.6 2,-0.3 30,-0.2 30,-0.2 -0.712 15.8 156.9-144.0 88.8 -27.2 12.0 -11.0 73 74 A W E +F 101 0A 70 28,-2.9 28,-1.5 -2,-0.2 2,-0.3 -0.828 9.8 164.7-119.1 153.5 -27.6 8.3 -10.1 74 75 A T E -F 100 0A 53 -2,-0.3 26,-0.2 26,-0.2 6,-0.0 -0.859 37.4-139.3-167.3 129.2 -28.4 6.4 -7.0 75 76 A D - 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