==== 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 HYDROLASE (GLYCOSYL) 07-JUN-95 1CEC . COMPND 2 MOLECULE: ENDOGLUCANASE CELC; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALZARI,R.DOMINGUEZ . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 0 2 2 2 0 2 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 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 0 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 2 A V 0 0 66 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 118.5 47.8 47.1 72.2 2 3 A S - 0 0 64 40,-0.4 81,-0.4 3,-0.1 3,-0.1 -0.890 360.0-147.3-125.3 159.8 46.3 46.4 68.7 3 4 A F + 0 0 44 -2,-0.3 3,-0.2 1,-0.1 298,-0.1 -0.331 66.6 101.9-124.2 55.6 45.5 43.2 66.9 4 5 A K S S+ 0 0 68 1,-0.2 298,-2.0 297,-0.2 2,-0.5 0.822 78.7 31.5-105.9 -47.0 46.2 44.2 63.3 5 6 A A E S+a 302 0A 6 296,-0.2 37,-2.5 326,-0.1 38,-0.7 -0.827 81.8 149.3-122.6 89.9 49.6 42.9 62.0 6 7 A G E -ab 303 43A 3 296,-3.0 298,-1.9 -2,-0.5 2,-0.3 -0.525 34.3-143.8-116.1-175.3 50.4 39.6 63.7 7 8 A I E -ab 304 44A 0 36,-1.0 38,-1.8 296,-0.3 2,-0.2 -0.979 22.7-117.9-149.2 146.2 52.2 36.4 63.2 8 9 A N E - b 0 45A 0 296,-2.3 299,-2.1 -2,-0.3 2,-0.3 -0.613 4.4-152.3 -87.8 151.7 51.4 32.8 64.4 9 10 A L > + 0 0 1 36,-1.9 3,-0.9 -2,-0.2 4,-0.4 -0.571 35.4 165.6-119.2 59.1 53.6 30.7 66.7 10 11 A G T 3 + 0 0 0 -2,-0.3 298,-0.3 1,-0.2 5,-0.1 -0.451 55.8 37.0 -74.6 153.1 52.4 27.3 65.4 11 12 A G T 3 S+ 0 0 3 3,-1.0 6,-0.2 -2,-0.1 -1,-0.2 0.431 94.8 90.8 86.8 -2.9 54.4 24.2 66.3 12 13 A W S < S- 0 0 0 -3,-0.9 -2,-0.1 35,-0.2 15,-0.1 0.902 113.0 -9.8 -86.8 -78.9 55.1 25.4 69.8 13 14 A I S S+ 0 0 0 34,-0.5 36,-2.0 -4,-0.4 2,-0.3 0.087 136.6 57.4-109.8 23.1 52.3 24.1 72.1 14 15 A S S S+ 0 0 0 34,-0.3 -3,-1.0 -5,-0.1 3,-0.1 -0.975 113.5 7.6-149.2 140.1 50.3 23.0 69.1 15 16 A Q S S+ 0 0 79 -2,-0.3 2,-0.2 1,-0.2 295,-0.1 0.821 83.6 165.2 54.0 33.0 51.2 20.6 66.3 16 17 A Y - 0 0 36 1,-0.1 -1,-0.2 -4,-0.0 3,-0.1 -0.591 40.5-133.8 -77.7 138.2 54.4 19.8 68.2 17 18 A Q S S+ 0 0 139 -2,-0.2 2,-0.4 -6,-0.2 -1,-0.1 0.986 87.2 10.0 -56.2 -61.8 56.0 16.6 66.9 18 19 A V S S- 0 0 95 2,-0.1 2,-1.6 -3,-0.1 -1,-0.2 -0.947 80.1-116.0-124.1 142.7 56.6 15.1 70.3 19 20 A F + 0 0 104 -2,-0.4 2,-0.4 -3,-0.1 3,-0.1 -0.629 60.5 148.6 -77.0 87.7 55.3 16.2 73.7 20 21 A S > - 0 0 41 -2,-1.6 4,-2.4 1,-0.1 3,-0.4 -0.994 53.7-140.8-131.8 137.3 58.6 17.0 75.2 21 22 A K H > S+ 0 0 149 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.807 105.2 61.4 -59.2 -32.8 59.6 19.7 77.8 22 23 A E H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 109.4 41.1 -60.6 -45.4 62.8 20.3 75.9 23 24 A H H >> S+ 0 0 14 -3,-0.4 4,-3.2 2,-0.2 3,-0.7 0.980 114.3 50.8 -64.5 -58.9 60.7 21.4 72.9 24 25 A F H 3< S+ 0 0 6 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.782 116.6 42.6 -50.5 -34.4 58.2 23.4 74.9 25 26 A D H 3< S+ 0 0 44 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.726 123.6 34.2 -88.4 -21.2 61.0 25.2 76.7 26 27 A T H << S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.7 -3,-0.2 0.781 98.8 71.1-105.8 -30.0 63.2 25.8 73.6 27 28 A F S < S+ 0 0 18 -4,-3.2 2,-0.5 1,-0.2 -3,-0.1 0.934 111.6 22.6 -54.4 -54.5 61.0 26.4 70.5 28 29 A I S S+ 0 0 1 -4,-0.3 2,-0.3 -5,-0.3 -1,-0.2 -0.974 74.7 163.9-120.6 128.8 59.8 29.8 71.6 29 30 A T >> - 0 0 44 -2,-0.5 3,-2.0 -3,-0.1 4,-1.2 -0.872 55.8 -90.8-132.9 168.9 61.7 32.0 74.1 30 31 A E H 3> S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.785 122.2 66.8 -53.8 -28.1 61.5 35.6 75.0 31 32 A K H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.868 99.0 51.9 -63.9 -31.0 64.1 36.3 72.4 32 33 A D H <> S+ 0 0 0 -3,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 109.6 46.9 -69.0 -47.7 61.5 35.3 69.7 33 34 A I H X S+ 0 0 0 -4,-1.2 4,-2.9 1,-0.2 -2,-0.2 0.885 112.6 51.7 -61.9 -36.9 58.9 37.7 71.1 34 35 A E H X S+ 0 0 63 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.940 109.9 48.6 -63.8 -46.1 61.5 40.3 71.2 35 36 A T H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.893 114.2 45.6 -57.9 -46.6 62.4 39.6 67.6 36 37 A I H X>S+ 0 0 0 -4,-2.8 5,-1.6 2,-0.2 4,-0.7 0.925 113.9 48.9 -63.4 -46.2 58.7 39.8 66.5 37 38 A A H ><5S+ 0 0 22 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.936 111.7 49.9 -60.0 -46.7 58.2 42.9 68.6 38 39 A E H 3<5S+ 0 0 132 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 103.2 59.8 -61.2 -38.1 61.3 44.5 67.0 39 40 A A H 3<5S- 0 0 18 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.637 121.2-106.0 -66.5 -16.6 60.1 43.6 63.5 40 41 A G T <<5 + 0 0 44 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.422 69.2 144.1 107.5 -4.0 57.0 45.7 64.1 41 42 A F < - 0 0 6 -5,-1.6 -1,-0.3 1,-0.1 -35,-0.2 -0.373 38.7-152.4 -64.7 150.7 54.3 43.1 64.5 42 43 A D + 0 0 26 -37,-2.5 41,-2.2 1,-0.2 -40,-0.4 0.548 67.5 3.2-104.2 -7.2 51.7 44.1 67.1 43 44 A H E -bc 6 83A 0 -38,-0.7 -36,-1.0 39,-0.3 2,-0.3 -0.984 58.7-133.8-165.9 166.4 50.5 40.7 68.3 44 45 A V E -bc 7 84A 0 39,-1.8 41,-2.3 -2,-0.3 2,-0.5 -0.924 15.2-138.5-127.9 152.2 51.0 37.0 68.1 45 46 A R E -bc 8 85A 0 -38,-1.8 -36,-1.9 -2,-0.3 41,-0.2 -0.960 19.0-161.2-109.4 133.0 48.4 34.3 67.7 46 47 A L E - c 0 86A 0 39,-3.3 41,-3.0 -2,-0.5 2,-0.2 -0.893 1.1-161.9-122.6 99.3 49.2 31.3 69.8 47 48 A P E - c 0 87A 0 0, 0.0 -34,-0.5 0, 0.0 2,-0.3 -0.599 12.6-176.7 -75.7 142.5 47.5 28.0 68.9 48 49 A F E - c 0 88A 0 39,-2.6 41,-3.1 -2,-0.2 42,-0.5 -0.974 20.2-137.1-139.2 147.0 47.4 25.4 71.6 49 50 A D > - 0 0 13 -36,-2.0 3,-1.2 -2,-0.3 42,-0.2 -0.873 27.7-117.4-100.5 146.7 46.2 21.8 71.7 50 51 A Y G >> S+ 0 0 34 40,-2.0 3,-2.8 -2,-0.4 4,-2.7 0.766 100.4 71.8 -51.1 -37.4 44.2 20.6 74.7 51 52 A P G 34 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 15,-0.1 0.771 88.7 62.4 -64.1 -25.4 46.5 17.8 76.0 52 53 A I G <4 S+ 0 0 2 -3,-1.2 -2,-0.1 -39,-0.2 3,-0.1 0.502 119.8 27.6 -74.0 0.2 49.1 20.2 77.2 53 54 A I T <4 S+ 0 0 0 -3,-2.8 10,-2.3 1,-0.4 2,-0.4 0.591 131.3 25.4-128.3 -33.6 46.4 21.5 79.6 54 55 A E < - 0 0 0 -4,-2.7 -1,-0.4 8,-0.2 2,-0.3 -1.000 64.5-149.3-141.5 133.8 44.2 18.6 80.1 55 56 A S - 0 0 33 3,-0.5 6,-0.2 6,-0.5 3,-0.1 -0.802 20.2-131.1 -99.4 145.8 44.8 14.8 79.9 56 57 A D S S+ 0 0 76 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.784 103.5 61.1 -67.4 -25.4 42.1 12.5 78.9 57 58 A D S S+ 0 0 135 1,-0.3 2,-0.5 -3,-0.0 -1,-0.2 0.925 117.1 26.1 -69.6 -44.0 42.8 10.1 81.8 58 59 A N S > S- 0 0 76 3,-0.1 3,-1.2 -3,-0.1 -3,-0.5 -0.736 84.2-166.9-123.4 83.0 42.0 12.7 84.5 59 60 A V T 3 + 0 0 72 -2,-0.5 3,-0.1 -3,-0.5 -3,-0.1 -0.426 68.9 30.1 -67.5 138.3 39.6 15.2 83.0 60 61 A G T 3 S+ 0 0 43 1,-0.2 2,-0.7 -2,-0.1 -1,-0.2 0.208 89.6 105.6 99.0 -16.2 39.1 18.5 84.9 61 62 A E < - 0 0 116 -3,-1.2 -6,-0.5 -6,-0.2 2,-0.3 -0.888 63.0-149.2 -99.5 110.7 42.5 18.6 86.4 62 63 A Y - 0 0 32 -2,-0.7 2,-0.6 -8,-0.1 -8,-0.2 -0.677 12.7-119.2 -89.5 137.3 44.5 21.3 84.6 63 64 A K > - 0 0 42 -10,-2.3 4,-2.7 -2,-0.3 5,-0.1 -0.627 17.0-167.3 -77.1 116.8 48.2 21.1 84.1 64 65 A E H > S+ 0 0 112 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.840 91.6 58.1 -68.9 -36.0 50.2 24.0 85.6 65 66 A D H 4 S+ 0 0 107 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.895 110.7 42.5 -62.7 -36.9 53.3 22.9 83.7 66 67 A G H >> S+ 0 0 4 1,-0.2 3,-1.8 2,-0.2 4,-0.7 0.962 113.2 52.3 -71.9 -48.2 51.3 23.3 80.5 67 68 A L H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 3,-0.5 0.790 94.3 71.9 -58.2 -30.1 49.7 26.5 81.6 68 69 A S H 3X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.807 92.9 57.6 -59.8 -27.7 53.1 28.0 82.4 69 70 A Y H <> S+ 0 0 11 -3,-1.8 4,-1.9 -4,-0.5 -1,-0.2 0.907 110.2 41.2 -69.2 -39.4 53.8 28.2 78.7 70 71 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.5 -2,-0.2 0.924 115.8 52.2 -72.9 -41.6 50.8 30.4 78.1 71 72 A D H X S+ 0 0 41 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.922 111.5 45.0 -60.5 -47.2 51.5 32.4 81.2 72 73 A R H X S+ 0 0 66 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.907 111.1 53.0 -66.3 -38.3 55.1 33.1 80.2 73 74 A C H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.944 108.9 50.8 -62.3 -41.7 54.1 34.0 76.7 74 75 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.930 109.5 51.0 -60.9 -41.0 51.6 36.5 78.1 75 76 A E H X S+ 0 0 98 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.948 110.2 48.5 -62.9 -43.4 54.4 37.9 80.3 76 77 A W H X S+ 0 0 37 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.896 111.1 50.2 -63.0 -43.2 56.7 38.3 77.3 77 78 A C H X>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 4,-1.0 0.907 108.1 52.5 -61.7 -43.8 54.0 40.0 75.2 78 79 A K H ><5S+ 0 0 77 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.936 107.5 53.5 -58.3 -43.2 53.2 42.5 78.0 79 80 A K H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 117.1 36.4 -63.1 -29.8 56.9 43.4 78.2 80 81 A Y H 3<5S- 0 0 60 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.418 112.9-113.3-106.7 6.9 57.0 44.2 74.5 81 82 A N T <<5 + 0 0 100 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.760 66.9 145.7 67.7 32.1 53.5 45.7 74.2 82 83 A L < - 0 0 5 -5,-2.8 -39,-0.3 -6,-0.2 -1,-0.2 -0.676 45.6-128.9 -98.8 151.8 52.2 42.9 72.0 83 84 A G E -c 43 0A 0 -41,-2.2 -39,-1.8 -81,-0.4 2,-0.4 -0.502 18.4-146.6 -89.5 165.5 48.7 41.4 72.0 84 85 A L E -cd 44 125A 0 40,-1.5 42,-2.1 -41,-0.2 2,-0.7 -0.982 8.2-161.9-138.6 122.2 48.2 37.7 72.3 85 86 A V E -cd 45 126A 0 -41,-2.3 -39,-3.3 -2,-0.4 2,-0.7 -0.942 17.3-151.0-103.7 109.3 45.3 35.8 70.7 86 87 A L E -cd 46 127A 0 40,-2.8 42,-3.1 -2,-0.7 2,-0.5 -0.794 18.6-165.9 -83.6 121.0 45.1 32.5 72.6 87 88 A D E -cd 47 128A 0 -41,-3.0 -39,-2.6 -2,-0.7 2,-0.8 -0.910 20.1-143.8-120.6 117.1 43.8 30.0 70.1 88 89 A M E +c 48 0A 0 40,-2.2 43,-1.7 -2,-0.5 44,-0.3 -0.658 24.6 174.4 -78.2 113.2 42.4 26.5 70.8 89 90 A H + 0 0 19 -41,-3.1 43,-1.3 -2,-0.8 2,-0.5 0.964 66.1 22.6 -81.0 -69.6 43.6 24.4 67.9 90 91 A H S S- 0 0 56 -42,-0.5 -40,-2.0 41,-0.1 -1,-0.3 -0.915 76.6-161.7-105.3 130.2 42.5 20.8 68.7 91 92 A A - 0 0 11 -2,-0.5 2,-0.2 -42,-0.2 6,-0.1 -0.476 42.9 -61.4 -98.1 170.6 39.7 20.4 71.2 92 93 A P 0 0 0 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 -0.393 360.0 360.0 -48.3 115.0 38.6 17.4 73.2 93 94 A G 0 0 28 -2,-0.2 3,-2.0 3,-0.1 4,-1.4 0.554 360.0 360.0 63.2 360.0 37.7 14.8 70.6 94 ! 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 95 103 A S 0 0 119 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 132.1 36.5 14.2 65.8 96 104 A T >> + 0 0 72 -3,-2.0 4,-3.0 1,-0.1 3,-2.5 0.472 360.0 107.0-100.1 -6.1 33.8 13.2 68.2 97 105 A L T 34 S+ 0 0 2 -4,-1.4 7,-0.3 1,-0.3 -1,-0.1 0.828 83.5 42.7 -40.9 -51.2 33.3 16.6 69.9 98 106 A F T 34 S+ 0 0 15 -5,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.533 119.5 46.2 -80.3 -1.0 30.0 17.4 68.2 99 107 A E T <4 S+ 0 0 127 -3,-2.5 -2,-0.2 1,-0.2 -1,-0.1 0.849 103.7 62.9-101.0 -49.9 28.8 13.8 68.9 100 108 A D >X - 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