==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULOSE DEGRADATION 04-DEC-95 1CEN . COMPND 2 MOLECULE: CELLULASE CELC; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR R.DOMINGUEZ,P.M.ALZARI . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 2 0 0 1 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 A M 0 0 187 0, 0.0 2,-0.4 0, 0.0 125,-0.0 0.000 360.0 360.0 360.0 127.7 47.4 50.7 73.6 2 2 A V - 0 0 12 124,-0.1 2,-0.3 81,-0.0 81,-0.1 -0.921 360.0-164.9-111.9 136.2 47.6 47.1 72.4 3 3 A S - 0 0 48 40,-0.5 81,-0.5 -2,-0.4 3,-0.1 -0.916 22.0-156.0-126.1 155.0 46.4 46.3 68.9 4 4 A F + 0 0 41 -2,-0.3 3,-0.2 1,-0.1 300,-0.1 -0.226 64.0 98.8-123.2 50.2 45.6 43.1 67.0 5 5 A K S S+ 0 0 76 1,-0.2 300,-2.0 299,-0.2 2,-0.5 0.831 81.5 32.6-102.0 -45.9 46.1 44.1 63.3 6 6 A A E S+a 305 0A 6 298,-0.2 37,-2.1 328,-0.1 38,-0.7 -0.828 81.1 143.2-121.1 92.2 49.6 42.8 62.1 7 7 A G E -ab 306 44A 3 298,-2.6 300,-1.8 -2,-0.5 2,-0.3 -0.563 36.2-139.6-120.3-172.3 50.5 39.6 63.8 8 8 A I E -ab 307 45A 0 36,-0.9 38,-2.1 298,-0.3 2,-0.2 -0.977 24.0-112.3-149.7 147.1 52.2 36.3 63.3 9 9 A N E - b 0 46A 0 298,-2.6 301,-1.8 -2,-0.3 302,-0.2 -0.535 6.8-152.9 -84.0 152.7 51.4 32.7 64.4 10 10 A L > + 0 0 2 36,-1.9 3,-0.8 -2,-0.2 4,-0.4 -0.513 36.7 163.3-119.3 56.5 53.5 30.6 66.9 11 11 A G T 3 + 0 0 1 1,-0.2 300,-0.3 -2,-0.1 5,-0.1 -0.508 53.6 36.5 -77.7 148.8 52.5 27.3 65.5 12 12 A G T 3 S+ 0 0 1 3,-1.0 6,-0.3 -2,-0.2 -1,-0.2 0.319 95.9 89.1 93.8 -7.5 54.5 24.1 66.3 13 13 A W S < S- 0 0 0 -3,-0.8 -2,-0.1 35,-0.2 15,-0.1 0.938 112.9 -10.1 -85.2 -81.1 55.2 25.2 69.9 14 14 A I S S+ 0 0 0 34,-0.5 36,-2.3 -4,-0.4 2,-0.3 0.135 136.4 58.0-106.6 18.4 52.4 24.0 72.2 15 15 A S S S+ 0 0 0 34,-0.3 -3,-1.0 -5,-0.2 3,-0.1 -0.979 116.2 5.4-142.9 143.5 50.2 23.0 69.2 16 16 A Q S S+ 0 0 89 -2,-0.3 2,-0.1 1,-0.2 297,-0.1 0.787 86.6 174.5 50.7 31.9 51.2 20.5 66.5 17 17 A Y - 0 0 44 1,-0.1 -1,-0.2 -4,-0.0 3,-0.1 -0.419 36.6-130.2 -69.5 143.0 54.4 19.8 68.4 18 18 A Q S S- 0 0 131 -6,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.963 88.8 -0.9 -55.9 -60.3 56.5 17.0 67.0 19 19 A V S S- 0 0 98 2,-0.1 2,-1.2 -3,-0.0 -1,-0.3 -0.985 81.0-109.7-134.2 141.4 56.9 15.1 70.3 20 20 A F + 0 0 101 -2,-0.4 2,-0.3 -3,-0.1 3,-0.1 -0.633 64.9 142.8 -72.9 100.5 55.4 16.1 73.7 21 21 A S > - 0 0 40 -2,-1.2 4,-2.5 1,-0.1 5,-0.2 -0.993 57.9-136.7-147.8 140.1 58.6 17.1 75.5 22 22 A K H > S+ 0 0 139 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.888 107.3 58.6 -56.1 -45.5 59.8 19.7 78.0 23 23 A E H > S+ 0 0 137 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.935 110.1 43.9 -50.9 -48.5 63.0 20.3 76.0 24 24 A H H >> S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.961 114.9 47.7 -61.1 -54.4 60.8 21.2 73.0 25 25 A F H 3< S+ 0 0 4 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.818 114.6 46.6 -58.3 -34.7 58.4 23.4 75.0 26 26 A D H 3< S+ 0 0 49 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.741 123.4 30.3 -82.9 -21.9 61.2 25.2 76.8 27 27 A T H << S+ 0 0 71 -4,-1.6 3,-0.2 -3,-0.5 -2,-0.2 0.721 99.4 73.0-111.0 -25.2 63.3 26.0 73.7 28 28 A F S < S+ 0 0 15 -4,-2.9 2,-0.5 1,-0.2 -3,-0.1 0.924 113.7 20.5 -59.0 -46.7 61.1 26.3 70.6 29 29 A I S S+ 0 0 2 -4,-0.4 -1,-0.2 -5,-0.3 2,-0.2 -0.984 76.6 160.1-129.3 119.5 59.8 29.7 71.8 30 30 A T >> - 0 0 37 -2,-0.5 3,-1.4 -3,-0.2 4,-1.1 -0.736 58.3 -87.4-123.8 176.8 61.7 31.8 74.3 31 31 A E H 3> S+ 0 0 62 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.785 121.5 68.8 -58.8 -29.3 61.6 35.5 75.1 32 32 A K H 3> S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.832 98.5 51.1 -60.5 -31.7 64.2 36.2 72.4 33 33 A D H <> S+ 0 0 0 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.952 108.8 48.4 -70.7 -50.0 61.6 35.3 69.8 34 34 A I H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.852 112.2 51.4 -59.1 -35.3 58.9 37.6 71.2 35 35 A E H X S+ 0 0 61 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.931 109.2 49.2 -67.8 -44.9 61.5 40.3 71.2 36 36 A T H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 112.7 47.6 -57.3 -49.6 62.4 39.6 67.6 37 37 A I H X>S+ 0 0 0 -4,-2.9 5,-1.6 1,-0.2 4,-0.5 0.899 113.3 49.3 -58.3 -41.8 58.8 39.8 66.6 38 38 A A H ><5S+ 0 0 23 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.890 109.4 49.6 -66.3 -44.1 58.3 43.0 68.6 39 39 A E H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.4 62.2 -64.3 -32.9 61.4 44.6 67.0 40 40 A A H 3<5S- 0 0 27 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.652 118.7-108.7 -67.5 -18.6 60.0 43.7 63.6 41 41 A G T <<5 + 0 0 44 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.501 67.9 143.0 104.8 0.4 56.9 45.8 64.2 42 42 A F < - 0 0 6 -5,-1.6 -1,-0.3 1,-0.1 -35,-0.2 -0.479 39.7-152.3 -70.1 150.5 54.2 43.1 64.6 43 43 A D + 0 0 26 -37,-2.1 41,-2.0 1,-0.2 -40,-0.5 0.477 68.1 4.5-103.5 -3.8 51.6 44.2 67.3 44 44 A H E -bc 7 84A 0 -38,-0.7 -36,-0.9 39,-0.3 2,-0.3 -0.981 59.5-132.1-167.9 168.2 50.5 40.7 68.5 45 45 A V E -bc 8 85A 0 39,-1.8 41,-2.3 -2,-0.3 2,-0.5 -0.939 15.6-137.2-130.8 151.3 51.1 37.0 68.2 46 46 A R E -bc 9 86A 0 -38,-2.1 -36,-1.9 -2,-0.3 41,-0.2 -0.956 18.8-162.8-111.3 129.3 48.6 34.2 67.8 47 47 A L E - c 0 87A 0 39,-3.0 41,-3.0 -2,-0.5 2,-0.3 -0.897 1.5-164.7-120.0 97.9 49.2 31.2 70.0 48 48 A P E - c 0 88A 0 0, 0.0 -34,-0.5 0, 0.0 2,-0.4 -0.614 11.1-175.5 -74.9 140.3 47.6 27.9 69.1 49 49 A F E - c 0 89A 0 39,-2.5 41,-2.9 -2,-0.3 42,-1.0 -0.982 21.0-135.5-137.3 144.8 47.5 25.3 71.8 50 50 A D E > - c 0 91A 14 -36,-2.3 3,-1.9 -2,-0.4 4,-0.4 -0.903 27.9-119.5 -98.0 135.9 46.3 21.7 71.7 51 51 A Y G >> S+ 0 0 19 40,-2.5 3,-2.8 -2,-0.5 4,-2.6 0.744 101.3 72.7 -42.8 -38.7 44.3 20.6 74.8 52 52 A P G 34 S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 15,-0.1 0.705 88.5 61.3 -62.2 -19.8 46.6 17.8 76.0 53 53 A I G <4 S+ 0 0 2 -3,-1.9 14,-0.2 -39,-0.2 15,-0.2 0.726 119.1 30.3 -73.4 -17.9 49.3 20.3 77.2 54 54 A I T <4 S+ 0 0 0 -3,-2.8 10,-2.6 -4,-0.4 2,-0.4 0.762 130.2 19.9-106.3 -40.3 46.5 21.5 79.6 55 55 A E B < -I 63 0B 1 -4,-2.6 2,-0.4 8,-0.2 -1,-0.3 -0.996 62.7-142.6-139.9 139.2 44.3 18.5 80.3 56 56 A S - 0 0 31 6,-0.5 6,-0.2 -2,-0.4 5,-0.1 -0.784 24.2-124.9 -98.8 143.9 44.7 14.7 80.0 57 57 A D S S+ 0 0 80 -2,-0.4 3,-0.4 1,-0.1 -1,-0.1 0.684 104.8 55.2 -58.3 -20.2 41.9 12.5 78.9 58 58 A D S S+ 0 0 140 1,-0.2 2,-2.0 3,-0.0 -1,-0.1 0.980 113.6 30.8 -75.5 -78.2 42.2 10.4 82.0 59 59 A N S > S- 0 0 80 3,-0.1 3,-2.1 2,-0.0 -3,-0.3 -0.444 86.7-168.7 -82.9 63.1 41.8 12.8 85.0 60 60 A V T 3 + 0 0 66 -2,-2.0 3,-0.1 -3,-0.4 -3,-0.1 -0.365 68.8 34.5 -55.8 122.8 39.6 15.1 83.0 61 61 A G T 3 S+ 0 0 40 1,-0.3 2,-0.8 -5,-0.1 -1,-0.2 0.114 85.5 106.2 117.9 -22.0 39.3 18.3 85.0 62 62 A E < - 0 0 108 -3,-2.1 -6,-0.5 -6,-0.2 2,-0.5 -0.839 62.3-148.0 -94.1 111.6 42.7 18.6 86.5 63 63 A Y B -I 55 0B 26 -2,-0.8 2,-0.6 -8,-0.1 -8,-0.2 -0.705 13.8-122.8 -87.9 125.3 44.6 21.3 84.7 64 64 A K >> - 0 0 42 -10,-2.6 4,-2.3 -2,-0.5 3,-0.8 -0.543 15.4-163.7 -69.4 111.9 48.3 20.9 84.3 65 65 A E H 3> S+ 0 0 107 -2,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.727 90.8 63.3 -66.8 -22.1 50.1 23.9 85.7 66 66 A D H 34 S+ 0 0 98 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.837 107.7 40.4 -72.0 -31.1 53.2 22.7 83.8 67 67 A G H X> S+ 0 0 2 -3,-0.8 3,-1.3 -14,-0.2 4,-0.8 0.904 112.8 54.1 -81.5 -42.4 51.3 23.3 80.5 68 68 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 3,-0.3 0.819 93.9 72.2 -60.7 -30.9 49.7 26.5 81.6 69 69 A S H 3X S+ 0 0 33 -4,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.824 93.6 54.9 -56.4 -31.8 53.1 27.9 82.5 70 70 A Y H <> S+ 0 0 9 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 0.908 109.7 44.8 -69.3 -41.0 53.9 28.2 78.8 71 71 A I H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.3 -2,-0.2 0.938 114.2 51.4 -67.8 -44.2 50.9 30.3 78.1 72 72 A D H X S+ 0 0 39 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.956 111.0 45.8 -57.5 -54.4 51.6 32.4 81.3 73 73 A R H X S+ 0 0 80 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.904 110.7 53.4 -58.9 -39.3 55.1 33.1 80.3 74 74 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.914 107.7 51.8 -62.9 -37.7 54.2 34.0 76.7 75 75 A L H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.918 110.5 49.2 -63.2 -39.4 51.6 36.4 78.2 76 76 A E H X S+ 0 0 104 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.947 109.9 49.5 -63.5 -50.2 54.4 37.9 80.3 77 77 A W H X S+ 0 0 34 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.907 114.0 47.2 -55.9 -43.8 56.8 38.2 77.3 78 78 A C H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-1.1 0.936 110.0 50.9 -64.7 -47.7 54.0 39.9 75.3 79 79 A K H ><5S+ 0 0 80 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.911 109.8 52.9 -56.0 -40.2 53.1 42.3 78.1 80 80 A K H 3<5S+ 0 0 135 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 117.1 35.9 -65.7 -33.2 56.8 43.2 78.3 81 81 A Y H 3<5S- 0 0 50 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.384 113.2-114.3-103.4 8.2 57.0 44.0 74.6 82 82 A N T <<5 + 0 0 84 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.2 0.878 66.6 143.8 61.4 43.3 53.5 45.5 74.4 83 83 A L < - 0 0 3 -5,-2.4 -39,-0.3 -8,-0.1 -1,-0.2 -0.783 46.8-126.9-108.4 152.7 52.2 42.8 72.1 84 84 A G E -c 44 0A 0 -41,-2.0 -39,-1.8 -81,-0.5 2,-0.4 -0.481 19.1-147.0 -90.3 167.7 48.7 41.4 72.1 85 85 A L E -cd 45 128A 0 42,-1.3 44,-2.0 -41,-0.2 2,-0.7 -0.980 7.6-160.0-141.8 124.7 48.1 37.6 72.3 86 86 A V E -cd 46 129A 0 -41,-2.3 -39,-3.0 -2,-0.4 2,-0.6 -0.939 16.9-151.4-105.0 107.9 45.3 35.7 70.7 87 87 A L E -cd 47 130A 0 42,-3.0 44,-3.1 -2,-0.7 2,-0.5 -0.751 18.7-170.1 -80.9 121.6 45.1 32.4 72.6 88 88 A D E -cd 48 131A 0 -41,-3.0 -39,-2.5 -2,-0.6 2,-0.8 -0.935 23.5-142.9-124.2 121.5 43.7 29.9 70.2 89 89 A M E +c 49 0A 0 42,-2.1 45,-2.1 -2,-0.5 3,-0.2 -0.717 25.5 173.2 -78.4 114.6 42.5 26.3 71.0 90 90 A H E + 0 0 29 -41,-2.9 2,-0.5 -2,-0.8 -40,-0.2 0.824 69.8 33.0 -91.2 -34.5 43.7 24.4 67.9 91 91 A H E S-c 50 0A 65 -42,-1.0 -40,-2.5 42,-0.0 -1,-0.3 -0.954 76.2-168.3-130.1 107.0 42.8 20.9 69.1 92 92 A A - 0 0 0 3,-1.8 3,-0.5 -2,-0.5 2,-0.3 -0.324 42.8 -70.7 -84.1 168.9 39.7 20.5 71.3 93 93 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 -0.496 121.7 -4.8 -57.7 122.1 38.6 17.5 73.2 94 94 A G 0 0 15 -2,-0.3 5,-1.4 5,-0.1 6,-0.4 0.232 360.0 360.0 76.2 -18.4 37.5 14.9 70.7 95 95 A Y 0 0 40 -3,-0.5 -3,-1.8 3,-0.2 3,-0.1 -0.776 360.0 360.0-112.9 360.0 38.0 17.4 68.0 96 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 102 A T 0 0 190 0, 0.0 2,-0.7 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 62.1 36.8 10.9 63.8 98 103 A S - 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