==== 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 31-OCT-99 1DAQ . COMPND 2 MOLECULE: ENDOGLUCANASE SS; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR B.L.LYTLE,B.F.VOLKMAN,W.M.WESTLER,M.P.HECKMAN,J.H.D.WU . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 245 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.1 3.2 21.1 8.6 2 2 A S + 0 0 118 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.949 360.0 161.2-160.7 138.1 1.9 17.7 9.7 3 3 A T - 0 0 106 -2,-0.3 2,-0.5 2,-0.1 0, 0.0 -0.984 25.3-143.1-156.1 157.5 0.6 14.6 8.0 4 4 A K + 0 0 137 -2,-0.3 2,-0.3 59,-0.0 61,-0.1 -0.953 45.3 117.0-131.4 111.7 0.0 10.9 8.7 5 5 A L - 0 0 56 -2,-0.5 2,-0.3 59,-0.1 9,-0.2 -0.935 33.1-166.2-170.0 148.2 0.7 8.3 6.0 6 6 A Y S S+ 0 0 98 7,-0.5 9,-0.4 -2,-0.3 33,-0.1 -0.849 76.1 4.7-148.2 106.5 3.0 5.4 5.4 7 7 A G S S+ 0 0 1 -2,-0.3 8,-2.0 7,-0.2 2,-0.3 0.931 77.7 176.4 86.6 57.4 3.5 3.8 2.0 8 8 A D - 0 0 2 6,-0.3 27,-0.7 27,-0.2 7,-0.2 -0.654 23.4-163.1 -94.2 150.7 1.5 6.1 -0.3 9 9 A V S S+ 0 0 6 5,-0.5 26,-0.6 -2,-0.3 -1,-0.1 0.885 94.3 13.6 -94.7 -57.5 1.3 5.8 -4.0 10 10 A N S S- 0 0 98 4,-0.3 24,-0.1 24,-0.1 5,-0.0 0.022 109.9-105.9-107.3 23.5 0.0 9.2 -5.1 11 11 A D S S+ 0 0 107 1,-0.1 4,-0.0 24,-0.0 -3,-0.0 0.893 88.9 122.9 52.7 43.4 0.7 10.7 -1.7 12 12 A D S S- 0 0 113 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.833 92.8 -58.6 -98.0 -47.3 -3.0 10.6 -1.1 13 13 A G S S- 0 0 4 1,-0.2 -7,-0.5 -6,-0.0 2,-0.3 0.212 98.8 -32.4-164.9 -48.7 -3.2 8.5 2.0 14 14 A K - 0 0 37 -9,-0.2 2,-0.8 2,-0.0 -5,-0.5 -0.965 67.7 -76.5-174.0 172.9 -1.6 5.1 1.5 15 15 A V S S+ 0 0 1 -8,-2.0 2,-0.2 -9,-0.4 40,-0.1 -0.791 71.2 124.8 -91.0 109.9 -1.0 2.3 -0.9 16 16 A N S > S- 0 0 14 -2,-0.8 3,-2.1 39,-0.1 7,-0.2 -0.778 78.9 -63.0-146.6-171.4 -4.2 0.3 -1.4 17 17 A S G > S+ 0 0 84 1,-0.3 3,-3.1 -2,-0.2 4,-0.3 0.852 127.6 66.0 -48.6 -39.1 -6.6 -0.9 -4.0 18 18 A T G 3 S+ 0 0 101 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.842 105.3 42.6 -52.2 -36.8 -7.3 2.8 -4.7 19 19 A D G <> S+ 0 0 2 -3,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.020 81.3 112.1 -98.3 24.8 -3.8 3.0 -5.9 20 20 A A H <> + 0 0 38 -3,-3.1 4,-3.5 2,-0.2 5,-0.2 0.787 68.4 65.4 -66.4 -27.8 -4.1 -0.3 -7.7 21 21 A V H > S+ 0 0 91 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.976 107.5 36.6 -57.3 -60.2 -3.9 1.7 -11.0 22 22 A A H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.732 115.9 61.0 -64.7 -22.0 -0.3 2.8 -10.4 23 23 A L H >X S+ 0 0 29 -4,-1.2 4,-4.4 2,-0.2 3,-0.6 0.983 99.2 50.2 -67.7 -60.2 0.1 -0.7 -8.9 24 24 A K H 3X S+ 0 0 150 -4,-3.5 4,-2.0 1,-0.3 -2,-0.2 0.858 115.1 47.0 -45.2 -40.8 -0.7 -2.6 -12.0 25 25 A R H 3X S+ 0 0 136 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.835 115.9 44.7 -70.9 -34.3 1.8 -0.4 -13.7 26 26 A Y H << S+ 0 0 40 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.890 111.5 51.4 -75.9 -42.5 4.3 -0.9 -10.9 27 27 A V H < S+ 0 0 77 -4,-4.4 -2,-0.2 1,-0.2 -3,-0.2 0.913 111.2 48.6 -60.1 -44.7 3.7 -4.7 -10.7 28 28 A L H < S- 0 0 134 -4,-2.0 2,-0.3 -5,-0.4 -1,-0.2 0.901 134.1 -54.0 -61.7 -42.5 4.3 -4.9 -14.5 29 29 A R < - 0 0 147 -4,-1.5 2,-1.0 -5,-0.1 3,-0.4 -0.967 61.1 -72.9-179.6-179.4 7.4 -2.8 -14.1 30 30 A S S S+ 0 0 105 -2,-0.3 -4,-0.1 1,-0.2 3,-0.0 -0.788 77.1 114.6-100.3 91.5 8.9 0.4 -12.8 31 31 A G + 0 0 53 -2,-1.0 -1,-0.2 -6,-0.2 -5,-0.1 0.634 61.9 62.1-122.9 -39.2 7.7 3.1 -15.2 32 32 A I S S- 0 0 59 -3,-0.4 2,-0.5 -10,-0.2 -10,-0.0 -0.190 84.4-109.7 -82.9 179.4 5.5 5.3 -13.1 33 33 A S + 0 0 123 -3,-0.0 2,-0.3 -2,-0.0 -11,-0.0 -0.967 45.7 153.3-119.7 119.9 6.5 7.3 -10.1 34 34 A I - 0 0 27 -2,-0.5 2,-2.6 -24,-0.1 3,-0.2 -0.946 56.8 -99.8-141.2 159.6 5.4 6.3 -6.6 35 35 A N > + 0 0 55 -27,-0.7 3,-0.6 -26,-0.6 -27,-0.2 -0.391 55.3 155.3 -78.2 62.5 6.6 6.7 -3.0 36 36 A T G >> + 0 0 55 -2,-2.6 3,-1.3 1,-0.2 4,-0.9 0.590 48.6 95.4 -65.6 -9.6 8.0 3.2 -3.1 37 37 A D G 34 S+ 0 0 149 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.943 108.8 4.1 -43.4 -68.9 10.3 4.5 -0.4 38 38 A N G <4 S+ 0 0 61 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 -0.292 108.6 100.2-114.7 44.3 8.1 3.2 2.5 39 39 A A T <4 S+ 0 0 0 -3,-1.3 2,-0.3 6,-0.2 -1,-0.1 0.791 75.4 56.8 -94.9 -37.3 5.5 1.5 0.3 40 40 A D < + 0 0 45 -4,-0.9 7,-0.1 -3,-0.2 6,-0.1 -0.712 46.5 163.8 -97.8 148.6 6.8 -2.0 0.7 41 41 A L S S+ 0 0 63 -2,-0.3 -1,-0.1 5,-0.3 6,-0.0 0.089 79.8 43.4-148.2 19.4 7.3 -3.7 4.1 42 42 A N S S- 0 0 72 4,-0.1 4,-0.1 0, 0.0 8,-0.0 0.085 116.5 -96.4-153.5 21.0 7.6 -7.3 3.1 43 43 A E S S+ 0 0 189 2,-0.1 -3,-0.0 1,-0.1 3,-0.0 0.930 97.7 109.9 57.5 49.2 10.0 -7.1 0.1 44 44 A D S S- 0 0 52 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.637 82.0-119.1-119.1 -36.3 7.1 -7.1 -2.3 45 45 A G S S- 0 0 12 1,-0.3 -6,-0.2 -9,-0.1 -5,-0.1 -0.430 76.4 -24.0 126.7 -56.5 7.1 -3.6 -3.6 46 46 A R S S- 0 0 8 -6,-0.1 -1,-0.3 -7,-0.1 -5,-0.3 0.120 113.8 -29.4-145.9 -93.5 3.7 -2.2 -2.6 47 47 A V + 0 0 5 -3,-0.1 -7,-0.1 4,-0.1 -24,-0.0 -0.693 50.4 165.5-146.9 87.0 0.6 -4.4 -1.9 48 48 A N S S- 0 0 89 -2,-0.2 -1,-0.1 -21,-0.0 -21,-0.0 0.824 81.3 -70.1 -70.1 -32.6 0.5 -7.6 -3.9 49 49 A S S > S+ 0 0 83 -3,-0.1 4,-1.2 0, 0.0 5,-0.1 0.071 128.6 70.9 166.6 -30.7 -2.2 -8.8 -1.6 50 50 A T H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.938 112.4 29.2 -72.2 -49.8 -0.5 -9.4 1.8 51 51 A D H > S+ 0 0 5 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.890 109.8 70.1 -76.7 -42.7 0.1 -5.7 2.6 52 52 A L H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 103.6 45.3 -39.3 -50.0 -3.0 -4.6 0.6 53 53 A G H X S+ 0 0 25 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.984 111.7 47.6 -59.1 -63.9 -5.1 -6.2 3.3 54 54 A I H X S+ 0 0 24 -4,-1.3 4,-3.0 1,-0.2 5,-0.4 0.811 113.3 54.9 -47.4 -32.5 -3.1 -4.9 6.3 55 55 A L H X S+ 0 0 2 -4,-3.5 4,-4.4 2,-0.2 5,-0.3 0.988 110.6 39.4 -65.3 -62.0 -3.4 -1.6 4.4 56 56 A K H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.540 118.3 56.6 -65.4 -4.8 -7.2 -1.6 4.1 57 57 A R H < S+ 0 0 166 -4,-1.4 5,-0.3 -5,-0.2 -2,-0.2 0.866 121.2 21.3 -91.8 -46.9 -7.0 -3.0 7.6 58 58 A Y H ><>S+ 0 0 2 -4,-3.0 5,-1.6 -5,-0.2 3,-1.5 0.786 118.9 61.6 -90.6 -33.6 -5.1 -0.2 9.3 59 59 A I T 3<5S+ 0 0 36 -4,-4.4 -3,-0.2 -5,-0.4 -1,-0.2 0.583 82.0 88.2 -68.5 -8.9 -5.9 2.5 6.7 60 60 A L T 3 5S- 0 0 119 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.857 129.3 -58.2 -56.7 -36.7 -9.5 1.8 7.8 61 61 A K T < 5S+ 0 0 127 -3,-1.5 -2,-0.1 -4,-0.1 -3,-0.1 0.137 127.1 87.0-177.1 -36.6 -8.9 4.5 10.5 62 62 A E T > 5 + 0 0 93 -5,-0.3 3,-1.0 -4,-0.1 4,-0.5 0.666 55.9 142.1 -54.9 -15.6 -6.0 3.3 12.6 63 63 A I T 3 < + 0 0 34 -5,-1.6 -4,-0.1 1,-0.2 -8,-0.0 -0.010 47.5 70.8 -33.2 99.2 -4.0 5.1 9.9 64 64 A D T 3 S+ 0 0 105 -58,-0.1 -1,-0.2 0, 0.0 -59,-0.1 0.084 113.8 9.1 174.6 -34.6 -1.3 6.5 12.2 65 65 A T S < S- 0 0 110 -3,-1.0 3,-0.3 -7,-0.1 -2,-0.1 0.570 83.1-142.8-130.7 -42.0 0.8 3.5 13.3 66 66 A L - 0 0 3 -4,-0.5 2,-2.7 1,-0.2 -11,-0.1 0.937 12.3-131.3 67.9 94.9 -0.3 0.6 11.2 67 67 A P - 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.383 28.3-148.9 -75.0 64.3 -0.3 -2.6 13.3 68 68 A Y + 0 0 183 -2,-2.7 2,-0.3 -3,-0.3 -17,-0.0 -0.067 31.5 161.0 -38.2 118.0 1.6 -4.5 10.7 69 69 A K - 0 0 158 -18,-0.1 -15,-0.2 0, 0.0 2,-0.1 -0.975 36.6-114.1-145.1 155.3 0.5 -8.1 11.1 70 70 A N 0 0 146 -2,-0.3 -19,-0.0 1,-0.1 -20,-0.0 -0.388 360.0 360.0 -85.5 166.4 0.5 -11.3 9.0 71 71 A G 0 0 118 -2,-0.1 -1,-0.1 0, 0.0 -21,-0.0 0.223 360.0 360.0 166.0 360.0 -2.6 -13.0 7.6