==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-05 2BVY . COMPND 2 MOLECULE: BETA-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR J.LE NOURS,L.ANDERSON,D.STOLL,H.STALBRAND,L.LO LEGGIO . 451 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 1 1 0 0 1 0 1 0 1 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 3 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 . 2 1 0 1 2 0 0 2 0 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 . 2 1 2 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 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 5 A T 0 0 127 0, 0.0 2,-0.3 0, 0.0 363,-0.2 0.000 360.0 360.0 360.0 139.5 13.4 51.9 17.7 2 6 A I B -a 364 0A 38 361,-2.5 363,-3.0 363,-0.0 2,-0.9 -0.923 360.0-112.4-128.2 152.8 14.6 49.0 15.5 3 7 A A + 0 0 46 268,-0.4 2,-0.4 -2,-0.3 361,-0.1 -0.701 46.8 170.6 -81.0 105.9 17.1 48.4 12.7 4 8 A I - 0 0 11 -2,-0.9 233,-0.1 361,-0.3 5,-0.1 -0.976 40.5-131.9-125.7 134.3 14.9 47.6 9.7 5 9 A V S S+ 0 0 8 -2,-0.4 2,-1.0 1,-0.2 -1,-0.1 0.844 105.1 49.7 -46.9 -44.8 16.0 47.2 6.0 6 10 A D S > S- 0 0 11 203,-0.2 3,-1.6 1,-0.2 -1,-0.2 -0.811 70.8-172.3-101.9 92.3 13.2 49.5 4.8 7 11 A A T 3 S+ 0 0 20 -2,-1.0 357,-0.2 1,-0.3 -1,-0.2 0.732 87.0 49.4 -55.4 -23.3 13.4 52.5 7.1 8 12 A D T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 -4,-0.0 2,-0.1 -0.190 81.8 138.0-111.4 42.3 10.2 53.7 5.6 9 13 A A < - 0 0 3 -3,-1.6 199,-0.2 1,-0.1 355,-0.1 -0.484 62.9 -86.5 -83.4 156.4 8.1 50.5 6.0 10 14 A T > - 0 0 27 197,-2.3 4,-2.1 -2,-0.1 5,-0.2 -0.127 39.0-109.8 -57.6 160.1 4.5 50.5 7.1 11 15 A A H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 351,-0.3 0.840 118.9 54.6 -61.5 -36.7 3.8 50.5 10.9 12 16 A E H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.910 108.2 49.7 -63.6 -42.8 2.5 47.0 10.7 13 17 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 110.9 47.4 -62.0 -48.3 5.7 45.8 9.1 14 18 A R H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.881 112.5 52.9 -60.9 -37.3 7.9 47.4 11.7 15 19 A S H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.2 -2,-0.2 0.936 106.1 51.0 -64.3 -48.0 5.7 45.9 14.3 16 20 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.944 109.7 50.2 -56.1 -48.4 6.0 42.3 12.9 17 21 A L H X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.911 112.9 47.6 -56.8 -41.9 9.8 42.6 12.8 18 22 A S H X S+ 0 0 22 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.9 48.3 -63.0 -49.0 9.6 43.8 16.5 19 23 A Y H X S+ 0 0 23 -4,-3.3 4,-1.8 338,-0.4 -2,-0.2 0.929 109.1 53.0 -56.3 -50.0 7.2 40.9 17.4 20 24 A L H X S+ 0 0 2 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.878 110.5 47.2 -56.4 -40.8 9.4 38.3 15.7 21 25 A D H >< S+ 0 0 61 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.898 111.7 50.1 -70.0 -38.7 12.4 39.4 17.6 22 26 A G H 3< S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 103.1 60.6 -71.5 -23.3 10.6 39.5 21.0 23 27 A V H >X S+ 0 0 13 -4,-1.8 4,-2.2 -5,-0.2 3,-1.9 0.758 79.3 114.6 -74.0 -23.9 9.2 36.0 20.5 24 28 A R T << S+ 0 0 5 -4,-0.7 287,-0.2 -3,-0.6 289,-0.1 -0.237 86.5 6.4 -56.2 123.7 12.7 34.6 20.3 25 29 A G T 34 S+ 0 0 27 285,-1.3 -1,-0.3 287,-0.3 286,-0.1 0.107 122.9 72.5 91.5 -21.2 13.5 32.2 23.1 26 30 A E T <4 S- 0 0 152 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.903 115.0 -27.6 -88.1 -53.5 9.9 32.5 24.4 27 31 A G < - 0 0 2 -4,-2.2 2,-0.5 283,-0.1 -1,-0.4 -0.972 56.8-126.6-158.7 160.0 8.2 30.4 21.7 28 32 A I E -b 348 0B 3 319,-2.8 321,-2.9 -2,-0.3 2,-0.3 -0.967 22.6-128.1-120.5 129.1 8.7 29.5 18.1 29 33 A L E -bc 349 314B 0 284,-2.9 286,-2.6 -2,-0.5 2,-0.4 -0.543 20.3-136.6 -73.7 132.8 6.1 30.0 15.4 30 34 A F E - c 0 315B 0 319,-2.7 32,-2.2 -2,-0.3 31,-1.6 -0.755 24.8-169.9 -89.5 136.3 5.3 26.9 13.3 31 35 A G E -dc 62 316B 0 284,-2.7 286,-2.5 -2,-0.4 2,-0.4 -0.924 10.8-166.6-128.3 154.0 5.0 27.6 9.6 32 36 A H E > -dc 63 317B 0 30,-2.2 32,-2.0 -2,-0.3 3,-1.0 -0.995 23.0-121.9-142.9 132.2 3.8 25.5 6.6 33 37 A Q E 3 S-d 64 0B 0 284,-1.8 287,-0.5 -2,-0.4 32,-0.2 -0.502 93.0 -6.0 -73.9 136.1 4.2 26.1 2.9 34 38 A H T >> S+ 0 0 0 30,-3.1 4,-2.3 -2,-0.2 3,-1.2 0.837 81.7 164.4 49.8 37.3 1.0 26.3 0.8 35 39 A T T <4 S+ 0 0 1 -3,-1.0 16,-0.6 29,-0.3 17,-0.2 0.806 75.1 30.4 -57.8 -30.9 -0.9 25.3 4.0 36 40 A T T 34 S+ 0 0 0 14,-0.2 11,-1.6 11,-0.1 13,-0.4 0.319 121.8 50.1-110.7 8.5 -4.3 26.4 2.5 37 41 A S T <4 S+ 0 0 3 -3,-1.2 2,-0.4 1,-0.3 8,-0.3 0.632 112.2 38.7-115.8 -22.0 -3.6 25.7 -1.2 38 42 A F S < S+ 0 0 41 -4,-2.3 282,-0.5 -5,-0.1 13,-0.3 -0.991 70.6 145.1-133.4 122.9 -2.3 22.1 -1.1 39 43 A G - 0 0 23 -2,-0.4 4,-0.3 282,-0.2 6,-0.1 -0.993 42.4-150.8-158.7 151.2 -3.6 19.4 1.2 40 44 A L S S+ 0 0 61 -2,-0.3 -1,-0.1 1,-0.1 283,-0.0 0.589 103.7 32.6 -97.0 -13.4 -4.4 15.7 1.5 41 45 A T S S+ 0 0 54 2,-0.1 -1,-0.1 1,-0.0 9,-0.1 0.355 104.5 73.5-121.7 1.6 -7.3 16.0 3.9 42 46 A T S S- 0 0 26 1,-0.2 -2,-0.1 7,-0.1 8,-0.0 0.776 81.8-146.3 -88.4 -27.5 -8.8 19.3 2.8 43 47 A G - 0 0 44 -4,-0.3 -1,-0.2 2,-0.0 -2,-0.1 -0.376 68.1 -0.2 81.6-173.2 -10.4 18.3 -0.5 44 48 A P S S- 0 0 136 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.126 88.2-129.2 -44.6 137.2 -10.4 21.1 -3.2 45 49 A T + 0 0 38 -8,-0.3 -8,-0.1 1,-0.1 -9,-0.1 -0.646 36.7 168.9 -98.6 153.8 -8.7 24.2 -1.6 46 50 A D - 0 0 77 -10,-0.3 -9,-0.1 -2,-0.2 -1,-0.1 0.125 67.6 -89.7-142.6 15.3 -9.8 27.8 -1.5 47 51 A G S S+ 0 0 0 -11,-1.6 -10,-0.1 2,-0.2 -11,-0.1 0.615 113.0 82.3 83.4 13.6 -7.4 29.3 1.0 48 52 A T S S+ 0 0 60 -12,-0.3 2,-0.3 1,-0.1 -11,-0.1 0.487 78.1 62.7-126.8 -7.8 -9.4 28.6 4.0 49 53 A T - 0 0 45 -13,-0.4 2,-0.3 -6,-0.1 -2,-0.2 -0.908 56.6-177.7-121.8 151.2 -8.7 24.9 4.9 50 54 A S > - 0 0 0 -2,-0.3 4,-2.7 1,-0.1 -14,-0.2 -1.000 36.7-134.4-149.3 145.2 -5.4 23.2 5.9 51 55 A D H > S+ 0 0 0 -16,-0.6 4,-2.3 -13,-0.3 5,-0.2 0.843 113.1 56.2 -64.0 -31.6 -4.1 19.8 6.8 52 56 A V H > S+ 0 0 0 -17,-0.2 4,-1.7 2,-0.2 6,-0.6 0.926 108.7 45.3 -65.2 -45.0 -2.4 21.5 9.7 53 57 A K H > S+ 0 0 77 1,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.918 114.3 50.6 -62.1 -44.8 -5.7 22.8 11.0 54 58 A N H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 118.6 34.8 -65.8 -33.8 -7.3 19.4 10.4 55 59 A V H < S+ 0 0 15 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.595 131.1 27.5 -99.5 -10.4 -4.7 17.4 12.3 56 60 A T H < S- 0 0 43 -4,-1.7 -3,-0.2 2,-0.2 -2,-0.2 0.571 99.4-116.8-122.4 -19.5 -3.8 19.8 15.1 57 61 A G S < S+ 0 0 49 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.301 87.8 65.0 98.9 -10.0 -6.9 21.9 15.6 58 62 A D S S- 0 0 23 -6,-0.6 -2,-0.2 293,-0.0 -1,-0.2 -0.981 82.5-108.9-143.8 153.6 -5.3 25.2 14.6 59 63 A F - 0 0 25 -2,-0.3 292,-2.5 1,-0.1 293,-0.3 -0.405 51.0 -89.5 -75.7 159.6 -3.8 26.8 11.5 60 64 A P B -I 350 0C 0 0, 0.0 -29,-0.2 0, 0.0 290,-0.2 -0.265 27.2-125.9 -65.9 160.3 0.0 27.3 11.4 61 65 A A S S+ 0 0 0 -31,-1.6 42,-3.1 288,-0.6 2,-0.4 0.803 98.4 47.8 -75.6 -27.3 1.3 30.6 12.8 62 66 A V E -de 31 103B 3 -32,-2.2 -30,-2.2 40,-0.2 2,-0.6 -0.955 68.3-160.4-120.4 129.7 3.2 31.1 9.5 63 67 A F E -de 32 104B 0 40,-3.6 42,-2.2 -2,-0.4 2,-0.3 -0.933 16.1-157.4-108.2 113.2 1.7 30.7 6.0 64 68 A G E +de 33 105B 0 -32,-2.0 -30,-3.1 -2,-0.6 -29,-0.3 -0.736 15.4 172.4 -96.2 141.8 4.4 30.2 3.4 65 69 A W E - e 0 106B 0 40,-2.8 42,-2.7 -2,-0.3 2,-0.3 -0.745 16.5-141.8-132.9-179.0 3.9 31.0 -0.3 66 70 A D E > - e 0 107B 0 40,-0.2 3,-2.9 -2,-0.2 4,-0.3 -0.993 26.4-121.9-152.5 142.4 6.0 31.1 -3.5 67 71 A T T 3> S+ 0 0 0 40,-1.7 4,-1.9 -2,-0.3 5,-0.2 0.562 102.1 85.8 -59.3 -5.6 6.3 33.3 -6.7 68 72 A L T 34>S+ 0 0 9 1,-0.2 5,-2.9 2,-0.2 6,-1.0 0.759 82.2 63.2 -64.7 -21.5 5.7 30.0 -8.5 69 73 A I T X45S+ 0 0 0 -3,-2.9 3,-1.2 4,-0.2 -1,-0.2 0.946 101.3 47.6 -64.9 -49.5 2.1 31.0 -7.9 70 74 A I T 345S+ 0 0 2 -4,-0.3 16,-0.2 1,-0.3 -2,-0.2 0.928 108.9 54.0 -56.4 -47.0 2.5 34.1 -10.0 71 75 A E T 3<5S- 0 0 20 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.635 116.2-119.7 -62.9 -14.9 4.1 32.0 -12.7 72 76 A G T < 5S+ 0 0 6 -3,-1.2 -3,-0.2 -4,-0.5 7,-0.2 0.717 84.1 115.1 80.7 21.4 1.0 29.8 -12.6 73 77 A N S S- 0 0 28 -6,-1.0 3,-1.8 -8,-0.1 -2,-0.2 -1.000 99.2 -65.5-139.1 139.5 1.6 26.2 -8.1 75 79 A R T 3 S+ 0 0 139 1,-0.4 -38,-0.1 -2,-0.4 3,-0.1 -0.245 116.4 33.3 -60.8 152.9 -2.0 26.8 -6.9 76 80 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.987 112.8 82.4 -72.2 3.9 -3.9 29.0 -6.6 77 81 A G < - 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