==== 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 1DAV . 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) . 5268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.8 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 . 1 1.4 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 . 6 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 22.5 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 . 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 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 -57.1 3.7 20.1 9.7 2 2 A S + 0 0 117 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.926 360.0 179.1-165.7 139.1 1.8 16.8 9.5 3 3 A T + 0 0 122 -2,-0.3 2,-0.1 2,-0.0 0, 0.0 -0.994 13.1 151.2-147.8 139.1 2.4 13.3 8.2 4 4 A K + 0 0 138 -2,-0.3 2,-0.3 9,-0.0 61,-0.1 -0.552 32.3 103.7-170.6 96.2 0.3 10.2 8.1 5 5 A L - 0 0 72 -2,-0.1 2,-0.3 59,-0.1 9,-0.2 -0.969 44.9-143.4-167.5 167.0 0.8 7.5 5.5 6 6 A Y B S-a 14 0A 40 7,-0.7 9,-1.0 -2,-0.3 3,-0.1 -0.812 80.1 -30.9-148.5 101.9 2.3 4.0 4.9 7 7 A G S S- 0 0 0 -2,-0.3 7,-0.1 7,-0.2 32,-0.1 0.906 82.0-163.9 56.0 45.9 3.9 3.1 1.6 8 8 A D - 0 0 4 6,-0.2 27,-0.6 5,-0.2 7,-0.2 -0.207 16.0-158.5 -59.1 151.5 1.6 5.5 -0.3 9 9 A V S S+ 0 0 2 5,-0.5 26,-0.7 25,-0.2 -1,-0.1 0.871 91.4 11.7 -96.9 -57.0 1.4 5.0 -4.0 10 10 A N S S- 0 0 83 4,-0.3 -2,-0.1 24,-0.1 24,-0.1 0.014 108.5-106.4-110.1 23.7 0.2 8.4 -5.2 11 11 A D S S+ 0 0 104 1,-0.1 4,-0.0 24,-0.0 -3,-0.0 0.907 89.7 120.2 51.1 46.7 0.8 10.1 -1.9 12 12 A D S S- 0 0 108 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.791 93.9 -56.4-103.8 -46.3 -3.0 10.1 -1.4 13 13 A G S S- 0 0 7 1,-0.3 -7,-0.7 -7,-0.1 2,-0.3 0.210 97.5 -38.4-163.5 -51.9 -3.3 8.0 1.8 14 14 A K B -a 6 0A 42 -9,-0.2 2,-0.8 -7,-0.1 -5,-0.5 -0.957 65.3 -74.8-172.8-179.8 -1.7 4.6 1.4 15 15 A V S S+ 0 0 0 -9,-1.0 2,-0.2 -2,-0.3 44,-0.1 -0.853 74.4 113.4 -99.8 106.3 -1.2 1.6 -0.9 16 16 A N S > S- 0 0 5 -2,-0.8 3,-1.2 39,-0.1 7,-0.2 -0.802 86.3 -55.4-151.5-169.5 -4.4 -0.4 -1.3 17 17 A S G > S+ 0 0 94 1,-0.3 3,-0.9 -2,-0.2 4,-0.3 0.731 130.6 64.4 -49.8 -22.4 -7.1 -1.3 -3.8 18 18 A T G > S+ 0 0 90 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.930 106.6 37.5 -67.7 -47.7 -7.4 2.4 -4.1 19 19 A D G <> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.2 3,-0.4 0.018 85.4 112.8 -92.4 26.1 -3.9 2.8 -5.6 20 20 A A H <> + 0 0 32 -3,-0.9 4,-3.1 1,-0.2 5,-0.4 0.870 60.3 73.5 -64.4 -37.9 -4.4 -0.4 -7.4 21 21 A V H <> S+ 0 0 93 -3,-0.6 4,-1.3 1,-0.3 -1,-0.2 0.892 107.8 33.3 -40.2 -53.6 -4.4 1.5 -10.7 22 22 A A H > S+ 0 0 15 -3,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.814 113.4 64.6 -73.6 -31.9 -0.6 2.0 -10.2 23 23 A L H >X S+ 0 0 27 -4,-1.5 4,-3.6 2,-0.2 3,-0.7 0.967 103.5 44.2 -53.8 -60.2 -0.4 -1.4 -8.6 24 24 A K H 3X S+ 0 0 155 -4,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.890 116.0 48.8 -51.7 -43.2 -1.5 -3.3 -11.7 25 25 A R H 3X S+ 0 0 128 -4,-1.3 4,-1.3 -5,-0.4 6,-0.5 0.769 118.3 42.2 -67.8 -26.5 0.9 -1.0 -13.6 26 26 A Y H << S+ 0 0 43 -4,-2.1 -2,-0.2 -3,-0.7 -3,-0.2 0.957 110.0 50.5 -82.8 -62.4 3.5 -1.9 -11.0 27 27 A V H < S+ 0 0 98 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.823 114.9 50.2 -44.9 -35.1 3.1 -5.6 -10.5 28 28 A L H < S- 0 0 123 -4,-1.6 2,-0.3 -5,-0.5 -1,-0.3 0.957 132.8 -26.1 -69.2 -52.8 3.2 -5.7 -14.3 29 29 A R < - 0 0 151 -4,-1.3 2,-1.0 -5,-0.2 3,-0.4 -0.969 58.0-106.5-157.5 165.7 6.4 -3.7 -14.5 30 30 A S S S+ 0 0 103 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.522 81.5 107.1 -97.9 64.1 8.5 -1.1 -12.7 31 31 A G + 0 0 53 -2,-1.0 -1,-0.2 -6,-0.5 -5,-0.1 0.812 57.2 75.5-103.9 -49.3 7.6 1.8 -15.1 32 32 A I S S- 0 0 50 -3,-0.4 2,-0.5 -7,-0.3 -10,-0.0 -0.076 82.7-117.0 -59.9 166.2 5.3 4.0 -13.1 33 33 A S + 0 0 121 2,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.953 44.3 153.7-115.4 119.9 6.6 6.2 -10.3 34 34 A I - 0 0 24 -2,-0.5 2,-3.7 -24,-0.1 3,-0.2 -0.917 60.3 -87.5-139.3 163.6 5.5 5.5 -6.7 35 35 A N > + 0 0 36 -26,-0.7 3,-0.6 -27,-0.6 4,-0.1 -0.310 55.5 162.7 -70.0 61.5 6.8 6.1 -3.2 36 36 A T G >> + 0 0 81 -2,-3.7 3,-1.1 1,-0.2 4,-0.7 0.685 52.9 92.3 -55.8 -17.5 8.6 2.7 -3.4 37 37 A D G 34 S- 0 0 152 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.922 112.7 -0.6 -39.4 -74.9 10.6 4.1 -0.5 38 38 A N G <4 S+ 0 0 72 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 -0.213 107.4 108.3-112.4 38.9 8.3 2.6 2.1 39 39 A A T <4 S+ 0 0 1 -3,-1.1 2,-0.3 -32,-0.1 -1,-0.1 0.953 73.0 50.2 -78.1 -55.5 5.9 1.0 -0.3 40 40 A D < + 0 0 49 -4,-0.7 6,-0.1 -3,-0.2 -33,-0.1 -0.616 51.2 164.8 -86.8 145.3 6.9 -2.6 0.2 41 41 A L S S+ 0 0 75 5,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.053 77.3 45.4-146.0 22.3 7.1 -4.0 3.8 42 42 A N S S- 0 0 70 4,-0.0 4,-0.1 0, 0.0 8,-0.1 0.060 113.0-101.1-154.8 24.0 7.2 -7.7 3.0 43 43 A E S S+ 0 0 191 1,-0.1 -3,-0.0 2,-0.1 3,-0.0 0.845 102.0 103.5 52.3 36.9 9.7 -8.0 0.2 44 44 A D S S- 0 0 71 2,-0.1 3,-0.2 6,-0.0 -1,-0.1 0.652 87.2-121.1-114.3 -33.0 6.7 -8.2 -2.1 45 45 A G S S- 0 0 11 1,-0.3 -2,-0.1 -9,-0.1 -6,-0.0 -0.387 76.5 -24.5 121.1 -52.3 6.7 -4.7 -3.6 46 46 A R S S- 0 0 6 -6,-0.1 -5,-0.3 -4,-0.1 -1,-0.3 0.054 117.4 -24.3-149.9 -93.6 3.2 -3.6 -2.6 47 47 A V + 0 0 5 -3,-0.2 -7,-0.0 4,-0.1 -24,-0.0 -0.653 53.2 165.6-141.6 79.6 0.3 -5.9 -1.9 48 48 A N S S- 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.875 77.6 -76.6 -61.1 -38.8 0.7 -9.2 -3.6 49 49 A S S > S+ 0 0 90 -3,-0.1 4,-1.1 0, 0.0 -1,-0.1 0.066 127.5 67.3 165.4 -30.3 -2.1 -10.6 -1.5 50 50 A T H > S+ 0 0 110 2,-0.2 4,-0.9 1,-0.1 5,-0.1 0.870 111.4 34.4 -78.5 -40.4 -0.5 -11.2 1.9 51 51 A D H > S+ 0 0 2 2,-0.2 4,-3.5 1,-0.1 5,-0.2 0.886 108.0 68.1 -79.9 -43.1 0.1 -7.5 2.6 52 52 A L H > S+ 0 0 48 2,-0.2 4,-4.5 1,-0.2 5,-0.5 0.908 98.1 53.3 -39.2 -61.9 -3.1 -6.4 0.9 53 53 A G H X S+ 0 0 23 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.912 112.9 40.2 -38.2 -74.2 -5.2 -8.0 3.6 54 54 A I H >X S+ 0 0 50 -4,-0.9 4,-3.6 1,-0.2 3,-0.6 0.894 118.9 50.4 -43.6 -49.6 -3.5 -6.3 6.5 55 55 A L H 3X S+ 0 0 3 -4,-3.5 4,-4.6 1,-0.3 5,-0.5 0.970 112.7 42.8 -53.6 -61.5 -3.4 -3.2 4.4 56 56 A K H 3< S+ 0 0 125 -4,-4.5 -1,-0.3 1,-0.2 -2,-0.2 0.587 117.2 54.1 -61.9 -8.2 -7.1 -3.4 3.5 57 57 A R H << S+ 0 0 183 -4,-1.3 5,-0.4 -3,-0.6 -2,-0.3 0.862 122.9 21.5 -91.5 -45.5 -7.4 -4.3 7.2 58 58 A Y H ><>S+ 0 0 0 -4,-3.6 3,-2.3 -5,-0.2 5,-2.0 0.828 117.1 63.0 -90.2 -39.0 -5.7 -1.3 8.7 59 59 A I T 3<5S+ 0 0 27 -4,-4.6 -3,-0.2 -5,-0.4 -1,-0.1 0.679 83.6 84.3 -59.5 -16.4 -6.1 1.1 5.7 60 60 A L T 3 5S- 0 0 123 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.838 133.2 -56.1 -54.5 -34.6 -9.8 0.6 6.5 61 61 A K T < 5S+ 0 0 136 -3,-2.3 -2,-0.2 -4,-0.1 -3,-0.1 0.134 126.7 88.7-177.1 -37.2 -9.3 3.4 9.0 62 62 A E T >>5 + 0 0 84 -5,-0.4 3,-1.2 -4,-0.3 4,-0.5 0.693 55.3 140.1 -51.9 -18.4 -6.5 2.2 11.4 63 63 A I T 34< + 0 0 27 -5,-2.0 -4,-0.1 1,-0.2 -8,-0.0 -0.002 50.6 65.4 -32.8 100.2 -4.3 3.9 8.8 64 64 A D T 34 S+ 0 0 101 -59,-0.0 -1,-0.2 -58,-0.0 -59,-0.1 0.060 117.5 9.9 167.3 -31.2 -1.9 5.5 11.2 65 65 A T T <4 S- 0 0 97 -3,-1.2 3,-0.3 -7,-0.1 -2,-0.1 0.541 83.6-146.9-134.2 -43.6 -0.1 2.6 12.8 66 66 A L < - 0 0 8 -4,-0.5 2,-2.8 1,-0.2 3,-0.2 0.824 22.2-115.7 66.6 111.7 -1.1 -0.5 10.9 67 67 A P + 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.345 42.4 173.3 -75.0 60.6 -1.3 -3.7 13.0 68 68 A Y - 0 0 159 -2,-2.8 -14,-0.1 -3,-0.3 -2,-0.1 0.820 22.7-159.0 -35.0 -45.2 1.6 -5.3 11.2 69 69 A K - 0 0 168 -3,-0.2 2,-0.6 1,-0.1 -15,-0.0 0.931 8.7-134.1 56.9 98.1 1.4 -8.1 13.7 70 70 A N 0 0 147 1,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.742 360.0 360.0 -86.7 121.2 4.7 -9.9 13.7 71 71 A G 0 0 114 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 0.308 360.0 360.0 133.1 360.0 4.3 -13.6 13.6