==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-12 4HU0 . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR N.ZHUANG,K.H.LEE . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 1 1 0 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 PARALLEL BRIDGES PER LADDER . 1 2 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 2 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 G >> 0 0 48 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0-151.6 -37.4 -45.9 -34.6 2 35 A W T 34 + 0 0 74 1,-0.2 81,-0.0 2,-0.2 80,-0.0 0.696 360.0 60.8 -60.7 -34.5 -37.4 -49.7 -35.4 3 36 A W T 34 S+ 0 0 182 1,-0.2 -1,-0.2 0, 0.0 131,-0.0 0.343 108.3 45.5 -80.3 1.2 -35.7 -49.0 -38.8 4 37 A N T <4 S+ 0 0 114 -3,-0.8 -2,-0.2 2,-0.0 -1,-0.2 0.655 76.4 135.1-110.5 -34.7 -32.7 -47.5 -36.9 5 38 A A < - 0 0 33 -4,-0.9 2,-0.4 1,-0.1 3,-0.2 0.114 42.8-150.9 -29.5 111.7 -32.3 -50.2 -34.2 6 39 A S - 0 0 60 1,-0.2 -1,-0.1 0, 0.0 82,-0.1 -0.840 55.3 -32.4-101.3 131.7 -28.5 -51.1 -33.8 7 40 A D - 0 0 105 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.820 64.7-162.4 21.2 88.2 -27.3 -54.7 -32.7 8 41 A I - 0 0 35 -3,-0.2 -1,-0.1 1,-0.1 80,-0.0 -0.787 21.3-118.7 -86.8 129.7 -29.9 -55.9 -30.2 9 42 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.242 28.6-104.5 -68.6 165.7 -28.6 -58.8 -28.1 10 43 A A - 0 0 85 1,-0.2 135,-0.1 135,-0.0 3,-0.0 -0.507 53.9 -73.5 -73.7 156.8 -30.2 -62.3 -28.3 11 44 A F - 0 0 17 -2,-0.2 2,-1.1 134,-0.1 -1,-0.2 -0.212 51.3-114.9 -45.5 132.4 -32.5 -63.4 -25.5 12 45 A D > - 0 0 77 1,-0.2 3,-2.7 -3,-0.1 4,-0.2 -0.586 26.5-164.9 -81.5 99.6 -30.4 -64.2 -22.4 13 46 A K G > S+ 0 0 151 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.692 81.7 69.9 -60.7 -23.1 -31.0 -68.0 -21.9 14 47 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.584 82.4 74.4 -75.2 -7.8 -29.6 -67.9 -18.4 15 48 A K G < S+ 0 0 80 -3,-2.7 2,-0.3 2,-0.0 -1,-0.2 0.684 98.3 47.9 -77.9 -11.3 -32.7 -66.0 -17.3 16 49 A I < - 0 0 20 -3,-1.2 84,-0.1 -4,-0.2 3,-0.1 -0.914 53.6-177.5-125.6 154.9 -34.9 -69.2 -17.5 17 50 A T + 0 0 118 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.333 64.8 47.1-131.0 3.4 -34.3 -72.6 -16.2 18 51 A R - 0 0 114 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.975 64.8-133.0-144.6 160.2 -37.3 -74.7 -17.3 19 52 A Q - 0 0 104 -2,-0.3 3,-0.1 131,-0.1 130,-0.1 -0.970 24.4-142.3-113.6 120.9 -39.4 -75.4 -20.5 20 53 A L - 0 0 4 -2,-0.5 130,-0.2 1,-0.1 3,-0.1 -0.414 42.1 -77.1 -73.1 163.3 -43.2 -75.2 -20.0 21 54 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.295 52.2-102.5 -59.2 145.2 -45.3 -77.8 -22.0 22 55 A L - 0 0 61 -3,-0.1 2,-0.4 1,-0.1 11,-0.2 -0.444 35.2-152.4 -64.3 128.2 -45.8 -77.1 -25.6 23 56 A I + 0 0 4 127,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.841 20.3 168.3-100.6 141.4 -49.3 -75.8 -26.4 24 57 A K E -A 31 0A 109 7,-2.6 7,-3.2 -2,-0.4 2,-0.4 -0.937 35.0-107.8-142.9 169.6 -51.0 -76.3 -29.7 25 58 A V E +A 30 0A 28 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.780 28.7 178.8 -92.3 132.4 -54.3 -76.0 -31.5 26 59 A E E > -A 29 0A 93 3,-2.7 3,-2.7 -2,-0.4 2,-0.1 -0.959 64.3 -54.5-135.0 117.8 -56.2 -79.1 -32.3 27 60 A G T 3 S- 0 0 53 -2,-0.4 222,-0.1 1,-0.3 192,-0.1 -0.260 123.6 -15.4 44.1-115.0 -59.6 -78.4 -34.0 28 61 A N T 3 S+ 0 0 56 222,-0.2 2,-0.3 220,-0.2 -1,-0.3 0.297 124.6 76.0 -98.5 12.2 -61.4 -76.1 -31.7 29 62 A R E < S-A 26 0A 75 -3,-2.7 -3,-2.7 220,-0.1 2,-0.4 -0.887 72.0-126.4-122.7 152.7 -59.2 -76.6 -28.5 30 63 A F E -AB 25 38A 5 8,-0.6 8,-2.5 -2,-0.3 2,-0.3 -0.820 41.4-177.3 -82.7 132.8 -55.9 -75.7 -27.1 31 64 A V E -AB 24 37A 1 -7,-3.2 -7,-2.6 -2,-0.4 6,-0.2 -0.939 17.8-133.6-131.3 157.2 -54.2 -78.9 -26.1 32 65 A D > - 0 0 22 4,-2.0 3,-2.0 -2,-0.3 -9,-0.1 -0.222 48.1 -74.7 -91.6-170.7 -50.9 -79.9 -24.5 33 66 A E T 3 S+ 0 0 131 1,-0.3 -10,-0.1 -11,-0.2 -1,-0.0 0.850 132.8 47.2 -50.5 -48.7 -48.3 -82.5 -25.3 34 67 A Q T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.270 121.1-104.3 -72.0 3.6 -50.6 -85.4 -24.1 35 68 A G S < S+ 0 0 33 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.568 70.8 149.2 74.1 7.7 -53.7 -84.1 -26.1 36 69 A K - 0 0 147 1,-0.1 -4,-2.0 -5,-0.0 -1,-0.2 -0.549 50.7-115.2 -78.3 139.0 -55.4 -82.8 -22.9 37 70 A T E -B 31 0A 70 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.523 29.7-162.9 -65.5 136.3 -57.6 -79.7 -23.4 38 71 A I E -B 30 0A 39 -8,-2.5 -8,-0.6 -2,-0.2 2,-0.5 -0.983 6.2-164.0-125.2 131.6 -56.3 -76.5 -21.6 39 72 A V - 0 0 32 -2,-0.4 2,-0.4 289,-0.1 291,-0.3 -0.989 16.7-145.1-111.9 125.1 -58.6 -73.5 -21.0 40 73 A F + 0 0 1 -2,-0.5 252,-2.6 289,-0.1 2,-0.3 -0.759 21.1 175.3 -97.2 142.4 -56.7 -70.4 -20.1 41 74 A R E +c 292 0B 16 -2,-0.4 30,-1.9 250,-0.2 31,-0.4 -0.952 27.6 127.3-143.9 115.8 -57.9 -67.8 -17.7 42 75 A G E -c 293 0B 0 250,-2.1 252,-2.7 -2,-0.3 2,-0.3 -0.692 45.5 -89.8-149.1-165.6 -55.6 -65.0 -16.9 43 76 A V E -cd 294 73B 1 29,-1.5 31,-2.0 250,-0.3 2,-0.4 -0.945 19.6-128.8-128.5 153.6 -54.9 -61.3 -16.6 44 77 A N E - d 0 74B 0 250,-2.3 253,-3.2 -2,-0.3 252,-0.4 -0.772 23.4-151.2 -80.9 131.6 -53.6 -58.4 -18.7 45 78 A I E -c 297 0B 0 29,-2.4 253,-0.2 -2,-0.4 2,-0.0 -0.601 28.5-102.9 -85.6 172.1 -50.8 -56.5 -17.0 46 79 A S - 0 0 0 251,-0.7 -1,-0.1 -2,-0.2 31,-0.0 -0.257 65.7 -57.7 -73.4 177.2 -50.5 -52.8 -18.0 47 80 A D >> - 0 0 5 1,-0.2 4,-1.8 28,-0.1 3,-1.6 -0.370 47.0-128.4 -56.3 124.0 -47.7 -51.9 -20.5 48 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.871 111.1 65.0 -41.8 -33.2 -44.3 -53.0 -19.0 49 82 A D H 3> S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 105.2 41.9 -58.9 -40.8 -43.3 -49.5 -19.8 50 83 A K H <> S+ 0 0 27 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.911 111.1 54.5 -72.0 -42.5 -45.8 -48.1 -17.2 51 84 A I H <>S+ 0 0 0 -4,-1.8 5,-2.9 1,-0.2 6,-0.5 0.880 110.0 48.0 -58.9 -41.3 -45.1 -50.8 -14.6 52 85 A D H ><5S+ 0 0 43 -4,-2.6 3,-1.9 -5,-0.2 5,-0.2 0.928 110.6 49.9 -66.7 -45.4 -41.3 -49.8 -14.8 53 86 A K H 3<5S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.2 57.5 -61.4 -32.2 -42.1 -46.0 -14.5 54 87 A D T 3<5S- 0 0 49 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.529 113.9-123.5 -73.0 -4.2 -44.3 -46.9 -11.4 55 88 A K T < 5S+ 0 0 169 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.869 86.3 109.5 61.8 35.0 -41.1 -48.5 -9.9 56 89 A R < + 0 0 85 -5,-2.9 2,-1.8 -6,-0.2 5,-0.3 0.246 31.7 122.9-120.8 14.2 -43.1 -51.7 -9.6 57 90 A F + 0 0 24 -6,-0.5 2,-0.3 -5,-0.2 -5,-0.1 -0.541 42.9 108.2 -86.5 82.6 -41.3 -53.8 -12.3 58 91 A S S >> S- 0 0 55 -2,-1.8 3,-1.2 1,-0.0 4,-0.9 -0.926 83.4 -97.0-144.3 174.7 -40.1 -56.8 -10.4 59 92 A K H 3> S+ 0 0 79 -2,-0.3 4,-2.7 1,-0.3 3,-0.3 0.840 114.1 72.3 -63.3 -31.2 -40.8 -60.5 -10.1 60 93 A K H 3> S+ 0 0 134 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.821 93.4 54.0 -48.7 -39.7 -43.0 -59.8 -6.9 61 94 A H H <> S+ 0 0 2 -3,-1.2 4,-1.4 -5,-0.3 -1,-0.3 0.904 111.1 44.9 -71.4 -40.4 -45.7 -58.2 -9.1 62 95 A F H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.870 107.2 59.5 -71.6 -31.4 -45.9 -61.4 -11.2 63 96 A E H X S+ 0 0 81 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.872 102.4 53.0 -62.1 -36.0 -45.8 -63.5 -8.1 64 97 A V H X S+ 0 0 20 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.946 107.1 53.1 -61.3 -40.7 -49.0 -61.7 -7.0 65 98 A I H ><>S+ 0 0 1 -4,-1.4 3,-1.4 1,-0.3 5,-1.2 0.939 107.3 51.7 -59.8 -46.1 -50.5 -62.7 -10.4 66 99 A R H ><5S+ 0 0 133 -4,-2.5 3,-1.8 1,-0.3 -1,-0.3 0.906 104.5 54.6 -61.1 -36.3 -49.6 -66.2 -9.8 67 100 A S H 3<5S+ 0 0 67 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.648 98.9 63.8 -72.5 -12.0 -51.3 -66.2 -6.3 68 101 A W T <<5S- 0 0 9 -3,-1.4 258,-0.3 -4,-0.8 -1,-0.3 0.351 118.8-112.5 -85.8 -1.8 -54.6 -65.0 -8.0 69 102 A G T < 5 + 0 0 16 -3,-1.8 -3,-0.2 1,-0.2 -28,-0.1 0.467 60.3 157.4 89.7 1.1 -54.6 -68.3 -9.9 70 103 A A < - 0 0 9 -5,-1.2 -28,-0.2 1,-0.1 -1,-0.2 -0.286 26.2-170.3 -62.7 140.2 -53.9 -67.0 -13.5 71 104 A N S S+ 0 0 32 -30,-1.9 36,-1.8 1,-0.2 2,-0.3 0.355 73.0 35.5-111.7 6.2 -52.4 -69.5 -15.9 72 105 A V E - e 0 107B 0 -31,-0.4 -29,-1.5 34,-0.2 2,-0.4 -0.988 62.4-157.8-149.8 151.5 -51.7 -66.9 -18.6 73 106 A V E -de 43 108B 0 34,-2.4 36,-2.6 -2,-0.3 2,-0.4 -0.999 11.3-147.9-132.1 128.4 -50.6 -63.2 -18.7 74 107 A R E -de 44 109B 0 -31,-2.0 -29,-2.4 -2,-0.4 36,-0.2 -0.863 8.4-153.8 -97.0 135.3 -51.3 -60.9 -21.7 75 108 A V E - e 0 110B 0 34,-2.8 36,-2.3 -2,-0.4 2,-1.2 -0.957 5.8-151.9-114.2 105.0 -48.6 -58.2 -22.3 76 109 A P E - e 0 111B 0 0, 0.0 2,-0.8 0, 0.0 36,-0.2 -0.713 10.4-164.6 -88.9 91.0 -50.1 -55.1 -24.1 77 110 A V E - e 0 112B 0 34,-2.1 36,-2.7 -2,-1.2 -2,-0.0 -0.627 8.6-151.5 -72.5 107.9 -47.2 -53.5 -26.0 78 111 A H >> - 0 0 13 -2,-0.8 4,-2.5 34,-0.2 3,-0.6 -0.691 14.4-135.5 -83.7 130.4 -48.2 -50.1 -27.0 79 112 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.867 106.8 57.5 -55.1 -31.2 -46.6 -48.7 -30.2 80 113 A R H 3> S+ 0 0 128 47,-1.8 4,-2.9 1,-0.2 5,-0.2 0.931 108.8 44.0 -64.4 -39.3 -46.0 -45.4 -28.4 81 114 A A H <> S+ 0 0 4 -3,-0.6 4,-3.0 46,-0.3 5,-0.3 0.892 110.6 55.4 -74.1 -35.7 -44.0 -47.2 -25.6 82 115 A W H X S+ 0 0 3 -4,-2.5 4,-1.4 2,-0.2 8,-0.2 0.926 113.6 41.7 -58.9 -42.2 -42.1 -49.3 -28.2 83 116 A K H < S+ 0 0 88 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 115.1 50.1 -71.1 -45.7 -41.0 -46.0 -29.9 84 117 A E H < S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.935 120.2 34.1 -63.6 -44.6 -40.3 -44.1 -26.7 85 118 A R H X S- 0 0 74 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.780 108.8-134.1 -74.7 -24.9 -38.1 -46.9 -25.2 86 119 A G H X - 0 0 24 -4,-1.4 4,-3.0 -5,-0.3 5,-0.2 0.059 31.7 -74.6 76.9 164.1 -36.7 -47.9 -28.5 87 120 A V H > S+ 0 0 7 -86,-0.2 4,-3.1 1,-0.2 5,-0.2 0.932 133.2 44.4 -61.4 -47.6 -36.3 -51.5 -29.6 88 121 A K H > S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.939 115.9 44.9 -66.1 -50.3 -33.4 -52.2 -27.4 89 122 A G H X S+ 0 0 20 -4,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.884 116.5 47.9 -58.6 -38.7 -34.8 -50.5 -24.3 90 123 A Y H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-1.2 0.964 107.1 53.9 -76.4 -47.0 -38.2 -52.1 -24.8 91 124 A L H 3X S+ 0 0 2 -4,-3.1 4,-2.8 1,-0.3 -1,-0.2 0.772 100.9 62.9 -56.7 -24.9 -36.9 -55.7 -25.4 92 125 A E H 3X S+ 0 0 108 -4,-1.2 4,-0.8 -5,-0.2 -1,-0.3 0.906 110.1 38.3 -68.6 -37.8 -35.0 -55.3 -22.1 93 126 A L H S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 4,-0.5 0.932 111.8 52.5 -57.1 -45.9 -43.7 -65.7 -16.5 102 135 A N H ><5S+ 0 0 0 -4,-2.6 3,-1.7 -5,-0.3 -2,-0.2 0.958 110.1 45.9 -54.2 -50.9 -41.7 -68.7 -17.6 103 136 A E H 3<5S+ 0 0 43 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 111.3 54.1 -65.2 -27.8 -40.2 -69.4 -14.1 104 137 A L H 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.462 116.7-113.7 -86.3 -1.5 -43.7 -68.9 -12.5 105 138 A G T <<5S+ 0 0 27 -3,-1.7 2,-0.4 -4,-0.5 -3,-0.2 0.731 73.0 136.6 84.1 15.7 -45.2 -71.5 -14.8 106 139 A I < - 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