==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-09 3JUG . COMPND 2 MOLECULE: BETA-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS; . AUTHOR Y.ZHAO,Y.ZHANG,Y.XUE . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 1 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 4 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 34 A S 0 0 109 0, 0.0 115,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 125.5 21.0 -17.9 -24.8 2 35 A G - 0 0 6 114,-0.1 114,-0.3 113,-0.1 2,-0.1 -0.853 360.0 -45.3-157.0-169.8 20.8 -15.1 -22.3 3 36 A F - 0 0 1 112,-1.7 2,-0.3 -2,-0.2 9,-0.2 -0.432 55.1-162.1 -67.1 148.7 22.7 -13.1 -19.7 4 37 A Y E -A 11 0A 107 7,-2.5 7,-3.3 -2,-0.1 2,-0.4 -0.964 9.0-142.1-136.2 154.2 24.8 -15.1 -17.3 5 38 A V E +A 10 0A 20 178,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.928 17.4 172.9-118.9 136.4 26.4 -14.4 -13.9 6 39 A D E > -A 9 0A 116 3,-2.3 3,-1.6 -2,-0.4 208,-0.1 -0.896 67.4 -52.6-139.2 112.0 29.7 -15.6 -12.6 7 40 A G T 3 S- 0 0 28 -2,-0.3 208,-0.5 1,-0.2 -1,-0.1 -0.352 121.0 -16.1 57.3-131.8 30.7 -14.1 -9.3 8 41 A N T 3 S+ 0 0 63 206,-0.2 208,-0.4 202,-0.2 2,-0.4 0.138 119.3 92.4 -92.1 21.2 30.5 -10.3 -9.4 9 42 A T E < -A 6 0A 41 -3,-1.6 -3,-2.3 204,-0.1 2,-0.5 -0.958 59.6-153.1-120.5 132.6 30.4 -10.1 -13.2 10 43 A L E -A 5 0A 13 -2,-0.4 8,-3.2 8,-0.3 2,-0.4 -0.890 17.9-162.3 -96.1 132.1 27.4 -10.0 -15.5 11 44 A Y E -AB 4 17A 61 -7,-3.3 -7,-2.5 -2,-0.5 -9,-0.0 -0.904 12.2-132.5-115.9 139.1 28.0 -11.5 -19.0 12 45 A D > - 0 0 1 4,-3.0 3,-2.2 -2,-0.4 -10,-0.1 -0.204 45.7 -86.4 -75.0 179.6 25.9 -11.0 -22.2 13 46 A A T 3 S+ 0 0 25 1,-0.3 -11,-0.1 103,-0.3 -1,-0.1 0.631 130.3 58.5 -67.7 -14.7 25.0 -14.0 -24.3 14 47 A N T 3 S- 0 0 97 2,-0.2 -1,-0.3 -13,-0.1 -11,-0.1 0.218 120.6-110.1 -91.1 9.3 28.4 -13.7 -26.2 15 48 A G S < S+ 0 0 41 -3,-2.2 -2,-0.2 1,-0.2 -12,-0.0 0.601 74.4 139.5 70.6 14.1 30.1 -14.1 -22.9 16 49 A Q - 0 0 101 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.2 -0.761 61.9-105.9 -91.2 132.4 31.3 -10.5 -22.9 17 50 A P B -B 11 0A 81 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.250 35.6-153.1 -54.6 138.5 31.1 -8.6 -19.5 18 51 A F - 0 0 13 -8,-3.2 2,-0.7 224,-0.1 -8,-0.3 -0.970 12.6-171.3-122.8 120.3 28.2 -6.2 -19.6 19 52 A V - 0 0 43 -2,-0.5 271,-0.4 271,-0.2 28,-0.1 -0.929 24.9-132.0-111.5 109.7 28.3 -3.0 -17.4 20 53 A M + 0 0 2 -2,-0.7 225,-2.2 222,-0.1 2,-0.3 -0.349 28.8 173.8 -61.0 136.6 25.0 -1.3 -17.5 21 54 A K E +c 245 0B 3 223,-0.2 26,-2.5 269,-0.1 27,-0.7 -0.875 37.1 103.1-140.9 103.8 25.1 2.5 -18.1 22 55 A G E -cd 246 48B 0 223,-2.0 225,-2.5 -2,-0.3 2,-0.3 -0.753 56.4 -85.9-163.1-158.8 21.6 3.8 -18.4 23 56 A I E -cd 247 49B 0 25,-1.4 27,-2.2 223,-0.3 2,-0.4 -0.989 23.8-126.1-144.4 136.6 18.5 5.5 -17.4 24 57 A N E - d 0 50B 0 223,-2.9 226,-3.1 -2,-0.3 225,-0.4 -0.710 23.6-162.0 -79.9 136.3 15.2 4.9 -15.6 25 58 A H E - d 0 51B 0 25,-3.0 27,-2.4 -2,-0.4 2,-1.9 -0.987 17.8-140.2-123.2 126.3 12.0 5.7 -17.4 26 59 A G >> + 0 0 2 225,-0.5 3,-1.5 -2,-0.4 4,-0.6 -0.262 42.9 153.6 -81.9 53.0 8.7 6.1 -15.5 27 60 A H G >4 + 0 0 0 -2,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.860 60.9 64.7 -47.3 -47.5 6.7 4.3 -18.2 28 61 A A G 34 S+ 0 0 5 24,-1.7 3,-0.3 -3,-0.3 -1,-0.3 0.781 110.1 38.2 -52.2 -32.0 4.0 3.2 -15.9 29 62 A W G <4 S+ 0 0 87 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.448 127.5 34.9 -99.9 -5.5 2.9 6.8 -15.2 30 63 A Y X< + 0 0 86 -3,-2.0 3,-1.7 -4,-0.6 -1,-0.2 -0.456 69.5 159.9-147.4 57.9 3.4 8.0 -18.7 31 64 A K G > + 0 0 29 -3,-0.3 3,-1.3 1,-0.3 -3,-0.1 0.836 69.6 56.6 -64.2 -36.1 2.5 5.1 -20.9 32 65 A D G 3 S+ 0 0 162 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.485 93.3 71.6 -76.4 -1.1 1.9 7.0 -24.2 33 66 A T G X> + 0 0 21 -3,-1.7 4,-3.4 -6,-0.2 3,-1.9 0.520 66.8 103.0 -89.0 -4.1 5.4 8.5 -24.1 34 67 A A H <> S+ 0 0 1 -3,-1.3 4,-2.1 1,-0.3 -1,-0.2 0.859 77.5 49.0 -47.3 -52.1 7.1 5.2 -25.0 35 68 A S H 34 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.595 122.2 35.7 -73.2 -9.7 7.8 5.8 -28.7 36 69 A T H <> S+ 0 0 64 -3,-1.9 4,-1.9 3,-0.1 -2,-0.2 0.795 121.3 41.6 -98.7 -50.6 9.3 9.2 -27.8 37 70 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 2,-0.2 -3,-0.2 0.887 111.3 52.1 -70.6 -41.6 11.1 8.5 -24.5 38 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.954 115.1 40.5 -67.7 -47.2 12.6 5.1 -25.1 39 72 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.891 113.1 56.1 -67.2 -33.9 14.3 6.1 -28.4 40 73 A A H X S+ 0 0 2 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.906 106.5 50.6 -59.7 -41.2 15.3 9.5 -26.8 41 74 A I H ><>S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 5,-1.2 0.927 108.7 51.7 -62.3 -44.1 17.0 7.5 -24.0 42 75 A A H ><5S+ 0 0 20 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.888 101.6 61.0 -56.4 -40.9 18.8 5.5 -26.6 43 76 A E H 3<5S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.718 95.8 62.7 -60.6 -21.5 20.0 8.7 -28.3 44 77 A Q T <<5S- 0 0 13 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.562 122.0-104.7 -80.9 -9.2 21.8 9.6 -25.1 45 78 A G T < 5 + 0 0 28 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.457 64.1 158.6 97.6 3.5 24.1 6.6 -25.4 46 79 A A < - 0 0 7 -5,-1.2 -1,-0.3 1,-0.2 -24,-0.2 -0.383 28.5-164.4 -59.0 131.0 22.3 4.5 -22.7 47 80 A N S S+ 0 0 4 -26,-2.5 33,-2.5 1,-0.2 245,-0.3 0.511 77.0 33.0 -91.6 -3.7 23.1 0.7 -23.2 48 81 A T E -de 22 80B 0 -27,-0.7 -25,-1.4 31,-0.3 2,-0.4 -0.997 63.6-158.8-150.8 139.4 20.2 -0.1 -20.8 49 82 A I E -de 23 81B 0 31,-2.8 33,-2.7 -2,-0.3 2,-0.6 -0.992 13.2-146.7-119.3 131.3 16.8 1.3 -19.9 50 83 A R E -de 24 82B 0 -27,-2.2 -25,-3.0 -2,-0.4 2,-0.6 -0.893 20.9-154.0 -95.0 120.8 15.1 0.5 -16.7 51 84 A I E -de 25 83B 0 31,-2.5 33,-2.0 -2,-0.6 2,-0.6 -0.881 6.6-139.4-106.6 115.9 11.4 0.5 -17.4 52 85 A V E + e 0 84B 0 -27,-2.4 -24,-1.7 -2,-0.6 2,-0.3 -0.621 28.3 179.5 -73.2 114.4 8.9 1.2 -14.6 53 86 A L E - e 0 85B 0 31,-2.9 33,-2.6 -2,-0.6 2,-0.4 -0.822 18.4-140.0-111.6 159.1 5.9 -1.1 -14.9 54 87 A S - 0 0 0 -2,-0.3 8,-2.6 6,-0.2 31,-0.1 -0.963 9.8-160.0-116.5 137.0 2.8 -1.5 -12.7 55 88 A D - 0 0 4 -2,-0.4 6,-0.2 6,-0.2 -1,-0.1 0.176 59.6-100.5 -92.4 16.2 1.1 -4.7 -11.6 56 89 A G S S+ 0 0 27 4,-0.2 5,-0.2 1,-0.0 -2,-0.0 0.472 95.6 116.8 81.8 2.0 -2.0 -2.6 -10.9 57 90 A G S S- 0 0 37 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.896 97.9 -3.1 -68.1 -41.6 -1.3 -2.6 -7.2 58 91 A Q S S+ 0 0 80 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.582 134.5 20.8-124.7 -24.4 -0.9 1.2 -7.0 59 92 A W S S- 0 0 84 1,-0.0 2,-0.4 3,-0.0 -30,-0.1 -0.628 103.9 -47.5-135.0-169.4 -1.3 2.5 -10.6 60 93 A E - 0 0 141 -32,-0.3 -6,-0.2 -2,-0.2 -4,-0.2 -0.563 65.8-115.7 -72.6 122.8 -2.7 1.5 -14.0 61 94 A K - 0 0 79 -2,-0.4 2,-0.8 -6,-0.2 -6,-0.2 -0.272 17.8-129.0 -58.9 137.4 -1.6 -2.1 -14.7 62 95 A D - 0 0 0 -8,-2.6 -1,-0.1 4,-0.0 5,-0.0 -0.816 29.5-144.9 -89.5 110.9 0.7 -2.6 -17.7 63 96 A D > - 0 0 83 -2,-0.8 4,-2.3 1,-0.1 3,-0.2 -0.078 26.9 -96.8 -74.9 173.0 -0.9 -5.3 -19.8 64 97 A I H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 123.6 54.0 -63.5 -33.5 1.0 -7.9 -21.8 65 98 A D H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 109.5 49.1 -65.9 -38.3 0.8 -6.0 -25.0 66 99 A T H > S+ 0 0 26 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 109.2 51.6 -66.3 -43.2 2.3 -3.0 -23.3 67 100 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.951 112.3 46.5 -58.2 -48.5 5.1 -5.1 -21.9 68 101 A R H X S+ 0 0 101 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.911 111.5 53.4 -58.2 -43.7 5.9 -6.4 -25.3 69 102 A E H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 111.7 42.2 -59.3 -49.2 5.7 -2.9 -26.8 70 103 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.878 114.8 48.6 -73.4 -36.9 8.2 -1.4 -24.4 71 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.906 112.2 51.3 -66.7 -37.3 10.7 -4.2 -24.5 72 105 A E H X S+ 0 0 117 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.934 108.0 50.8 -64.5 -46.7 10.5 -4.2 -28.3 73 106 A L H < S+ 0 0 36 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.880 112.7 47.8 -59.0 -37.1 11.2 -0.5 -28.4 74 107 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 3,-1.6 0.970 114.1 45.1 -65.2 -54.5 14.3 -1.0 -26.1 75 108 A E H ><5S+ 0 0 49 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.892 110.2 54.3 -55.9 -43.5 15.6 -3.9 -28.2 76 109 A Q T 3<5S+ 0 0 133 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.440 108.7 50.4 -80.2 2.5 15.0 -2.1 -31.5 77 110 A N T < 5S- 0 0 55 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.078 122.4-106.6-119.2 21.5 17.1 0.8 -30.2 78 111 A K T < 5S+ 0 0 137 -3,-2.0 2,-0.4 1,-0.2 214,-0.3 0.806 76.9 131.1 62.9 35.0 19.9 -1.4 -29.1 79 112 A M < - 0 0 1 -5,-2.5 -31,-0.3 -6,-0.1 -1,-0.2 -0.965 58.1-125.9-119.8 137.4 19.2 -1.2 -25.4 80 113 A V E -e 48 0B 0 -33,-2.5 -31,-2.8 -2,-0.4 2,-0.6 -0.534 29.1-136.3 -67.0 139.3 18.9 -3.9 -22.7 81 114 A A E -ef 49 118B 1 36,-2.5 38,-2.6 -33,-0.2 2,-0.8 -0.930 15.4-167.1-105.7 118.8 15.6 -3.6 -20.9 82 115 A V E -ef 50 119B 0 -33,-2.7 -31,-2.5 -2,-0.6 2,-0.3 -0.908 19.2-161.5 -97.6 102.4 15.6 -4.0 -17.1 83 116 A V E -ef 51 120B 0 36,-1.8 38,-3.0 -2,-0.8 2,-0.3 -0.686 12.0-179.0 -86.1 142.1 11.9 -4.4 -16.5 84 117 A E E -ef 52 121B 0 -33,-2.0 -31,-2.9 -2,-0.3 2,-0.5 -0.999 28.6-132.5-143.4 144.3 10.6 -3.8 -12.9 85 118 A V E -e 53 0B 0 36,-0.9 39,-2.7 -2,-0.3 3,-0.3 -0.865 21.2-173.4 -93.0 126.3 7.4 -3.8 -11.0 86 119 A H > + 0 0 16 -33,-2.6 3,-1.5 -2,-0.5 -32,-0.1 0.554 58.6 89.9-101.9 -8.3 7.0 -0.7 -8.9 87 120 A D T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -34,-0.3 -33,-0.1 0.578 83.0 57.1 -73.6 -9.9 3.9 -1.2 -6.8 88 121 A A T > S+ 0 0 1 -3,-0.3 3,-2.3 36,-0.1 39,-0.5 0.341 75.4 148.8 -99.3 5.3 5.7 -2.8 -3.8 89 122 A T T < S- 0 0 22 -3,-1.5 37,-0.2 1,-0.3 36,-0.2 -0.139 74.8 -8.4 -50.5 118.5 7.9 0.1 -3.3 90 123 A G T 3 S+ 0 0 15 35,-2.6 38,-0.5 1,-0.2 2,-0.3 0.348 100.6 132.5 80.6 -5.3 8.9 0.6 0.3 91 124 A R < - 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