==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-JUN-08 2K53 . COMPND 2 MOLECULE: A3DK08 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR G.V.T.SWAPNA,W.HUANG,M.JIANG,E.L.FOOTE,R.XIAO,R.NAIR, . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 72.9 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 . 2 2.9 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 . 4 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.7 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 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 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 . 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 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 85 0, 0.0 2,-0.5 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 142.4 12.5 2.9 4.7 2 2 A K - 0 0 120 61,-0.1 2,-0.2 62,-0.0 58,-0.1 -0.908 360.0-153.5-128.8 104.8 11.8 -0.4 2.9 3 3 A I - 0 0 4 -2,-0.5 2,-0.3 53,-0.2 57,-0.1 -0.492 9.9-161.8 -76.5 142.1 8.2 -1.6 2.5 4 4 A T > - 0 0 65 -2,-0.2 3,-1.5 1,-0.1 37,-0.3 -0.890 29.3-121.7-122.8 155.1 7.4 -5.3 2.1 5 5 A K T 3 S+ 0 0 85 -2,-0.3 37,-2.8 1,-0.3 38,-0.4 0.706 111.5 65.4 -69.6 -17.7 4.3 -7.1 0.7 6 6 A D T 3 S+ 0 0 107 35,-0.2 -1,-0.3 34,-0.2 34,-0.0 0.674 83.1 102.1 -75.0 -17.6 4.0 -8.9 4.1 7 7 A M S < S- 0 0 40 -3,-1.5 34,-2.8 33,-0.1 2,-0.3 -0.313 83.6-104.6 -66.4 149.8 3.3 -5.5 5.7 8 8 A I B > -A 40 0A 57 32,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.600 16.4-138.9 -79.1 133.2 -0.3 -4.6 6.6 9 9 A I H > S+ 0 0 0 30,-1.7 4,-2.1 -2,-0.3 5,-0.2 0.933 107.1 49.4 -55.5 -48.9 -2.1 -2.0 4.3 10 10 A A H > S+ 0 0 38 27,-2.0 4,-0.5 29,-0.4 -1,-0.2 0.820 110.7 52.0 -59.3 -31.5 -3.7 -0.3 7.3 11 11 A D H > S+ 0 0 77 -3,-0.3 4,-1.2 26,-0.2 3,-0.5 0.877 106.0 52.0 -75.2 -39.0 -0.2 -0.2 8.9 12 12 A V H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.5 0.902 105.6 56.6 -60.1 -40.0 1.4 1.4 5.8 13 13 A L H 3< S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 101.8 57.4 -61.4 -25.4 -1.3 4.0 6.1 14 14 A Q H 3< S+ 0 0 124 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.816 104.8 50.0 -73.7 -32.3 -0.1 4.6 9.6 15 15 A M H << S- 0 0 69 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.876 136.6 -7.7 -71.2 -39.5 3.4 5.4 8.2 16 16 A D >< - 0 0 26 -4,-2.0 3,-1.1 -5,-0.1 -1,-0.3 -0.889 50.5-151.5-160.1 130.2 1.9 7.9 5.7 17 17 A R G > S+ 0 0 164 -2,-0.3 3,-1.4 1,-0.2 -4,-0.1 0.744 95.6 72.4 -70.9 -22.7 -1.8 8.7 4.8 18 18 A G G 3 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.432 78.3 76.9 -74.7 2.2 -0.5 9.6 1.3 19 19 A T G X> S+ 0 0 0 -3,-1.1 4,-1.7 1,-0.2 3,-1.0 0.686 73.4 81.4 -82.6 -19.0 0.1 5.9 0.5 20 20 A A H <> S+ 0 0 35 -3,-1.4 4,-2.7 1,-0.3 5,-0.2 0.918 86.6 53.6 -53.0 -51.1 -3.7 5.3 -0.0 21 21 A P H 3> S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.741 106.2 56.5 -59.4 -21.4 -3.7 6.7 -3.7 22 22 A I H <> S+ 0 0 20 -3,-1.0 4,-1.6 -4,-0.2 -2,-0.2 0.919 107.9 44.8 -74.4 -46.3 -0.9 4.2 -4.4 23 23 A F H <>S+ 0 0 9 -4,-1.7 5,-2.5 -3,-0.2 4,-0.4 0.929 115.6 48.5 -59.3 -45.3 -3.0 1.2 -3.2 24 24 A I H ><5S+ 0 0 97 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.868 104.8 60.7 -61.7 -37.0 -5.9 2.7 -5.3 25 25 A N H 3<5S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.898 105.9 46.1 -56.4 -42.2 -3.5 3.1 -8.2 26 26 A N T 3<5S- 0 0 36 -4,-1.6 25,-0.3 -3,-0.2 -1,-0.3 0.451 131.1 -91.8 -85.5 -1.4 -2.9 -0.7 -8.3 27 27 A G T < 5 + 0 0 47 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.648 68.3 157.3 104.5 17.5 -6.6 -1.4 -8.0 28 28 A M < - 0 0 20 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.2 -0.457 36.5-137.4 -72.1 147.2 -7.3 -1.7 -4.2 29 29 A H - 0 0 117 -2,-0.1 2,-0.8 2,-0.1 -1,-0.1 -0.856 12.8-143.2-110.0 97.6 -10.9 -1.2 -3.0 30 30 A C + 0 0 86 -2,-0.7 2,-0.3 -10,-0.1 7,-0.0 -0.442 46.7 136.6 -64.3 103.1 -10.8 0.9 0.2 31 31 A L - 0 0 84 -2,-0.8 2,-2.9 2,-0.2 6,-0.3 -0.980 69.2 -90.1-148.6 153.2 -13.6 -0.6 2.3 32 32 A G S S+ 0 0 79 -2,-0.3 3,-0.1 4,-0.1 -2,-0.1 -0.367 87.8 107.6 -66.4 70.5 -14.3 -1.7 5.9 33 33 A C S >>>S- 0 0 55 -2,-2.9 4,-2.4 1,-0.1 5,-1.1 -0.988 75.8-124.5-145.2 152.3 -13.0 -5.2 5.4 34 34 A P I 34>S+ 0 0 82 0, 0.0 5,-3.1 0, 0.0 2,-0.4 0.946 108.7 63.1 -58.0 -47.0 -10.0 -7.4 6.3 35 35 A S I 345S+ 0 0 56 1,-0.2 12,-0.1 3,-0.2 -3,-0.1 0.204 118.8 25.3 -69.7 20.6 -9.3 -8.2 2.6 36 36 A S I <45S+ 0 0 11 -3,-1.0 -1,-0.2 -2,-0.4 -4,-0.1 0.437 139.7 9.5-146.7 -46.4 -8.7 -4.5 1.9 37 37 A M I <5S+ 0 0 56 -4,-2.4 -27,-2.0 -6,-0.3 -26,-0.2 0.778 125.2 46.3-109.2 -48.1 -7.5 -2.7 5.1 38 38 A G I -A 8 0A 21 -32,-0.3 4,-2.6 -31,-0.1 5,-0.3 -0.310 40.8-107.0 -72.2 159.7 -1.2 -7.7 4.4 41 41 A I H > S+ 0 0 0 -34,-2.8 4,-2.5 -37,-0.3 -35,-0.2 0.933 121.2 45.5 -53.0 -52.6 -0.5 -6.2 1.0 42 42 A E H > S+ 0 0 84 -37,-2.8 4,-2.7 -35,-0.2 -1,-0.2 0.889 112.5 52.6 -59.1 -40.4 0.2 -9.6 -0.6 43 43 A D H > S+ 0 0 72 -38,-0.4 4,-1.2 1,-0.2 -2,-0.2 0.948 113.6 40.9 -63.3 -51.1 -2.9 -11.1 1.0 44 44 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.855 114.6 54.3 -65.4 -36.9 -5.3 -8.4 -0.2 45 45 A C H X>S+ 0 0 2 -4,-2.5 5,-2.5 -5,-0.3 4,-1.0 0.943 102.9 55.2 -62.2 -48.5 -3.6 -8.4 -3.6 46 46 A A H <5S+ 0 0 80 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.852 103.7 57.4 -54.6 -37.4 -4.1 -12.2 -4.1 47 47 A V H <5S+ 0 0 82 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.956 119.2 27.8 -57.7 -54.0 -7.8 -11.7 -3.6 48 48 A H H <5S- 0 0 110 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.331 111.6-114.5 -92.6 6.6 -8.3 -9.2 -6.4 49 49 A G T <5 + 0 0 67 -4,-1.0 -3,-0.2 -3,-0.3 2,-0.1 0.831 57.7 168.7 62.9 32.3 -5.3 -10.6 -8.4 50 50 A I < - 0 0 23 -5,-2.5 2,-1.6 -6,-0.2 -1,-0.2 -0.445 46.0-108.8 -78.4 150.0 -3.4 -7.3 -8.0 51 51 A D > + 0 0 68 -25,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.592 39.1 175.6 -80.9 84.2 0.3 -7.0 -8.8 52 52 A A H > S+ 0 0 13 -2,-1.6 4,-2.9 1,-0.2 5,-0.3 0.809 76.0 64.1 -60.8 -30.3 1.7 -6.7 -5.3 53 53 A D H > S+ 0 0 77 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 110.7 35.9 -58.7 -47.3 5.2 -6.7 -6.8 54 54 A K H > S+ 0 0 113 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.914 116.3 54.7 -71.8 -44.2 4.5 -3.4 -8.5 55 55 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 109.3 46.6 -54.7 -51.6 2.4 -2.0 -5.7 56 56 A V H X S+ 0 0 13 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.903 110.1 54.1 -60.6 -42.3 5.1 -2.6 -3.1 57 57 A K H X S+ 0 0 104 -4,-1.4 4,-2.9 -5,-0.3 5,-0.2 0.937 109.1 47.8 -57.2 -48.0 7.8 -1.0 -5.4 58 58 A E H X S+ 0 0 70 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.887 110.7 52.7 -60.6 -39.7 5.6 2.2 -5.7 59 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.940 113.0 44.2 -59.3 -48.5 5.2 2.2 -1.9 60 60 A N H X S+ 0 0 14 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.984 113.2 48.7 -58.6 -61.7 9.0 2.0 -1.4 61 61 A E H X S+ 0 0 110 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.886 109.3 56.3 -46.2 -46.1 9.8 4.6 -4.1 62 62 A Y H >X S+ 0 0 67 -4,-2.4 4,-1.6 -5,-0.2 3,-0.6 0.949 112.7 38.1 -52.1 -58.7 7.2 6.9 -2.5 63 63 A F H 3X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.917 113.9 56.1 -60.5 -43.2 8.7 6.9 1.0 64 64 A E H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.704 104.0 54.9 -68.4 -19.8 12.3 6.9 -0.5 65 65 A K H XX S+ 0 0 132 -4,-1.6 4,-2.6 -3,-0.6 3,-1.5 0.906 107.6 49.4 -70.1 -45.8 11.3 10.1 -2.3 66 66 A K H 3X S+ 0 0 52 -4,-1.6 4,-2.5 1,-0.3 -2,-0.2 0.871 100.0 63.9 -61.1 -39.2 10.3 11.7 1.0 67 67 A E H 3< S+ 0 0 117 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.605 113.4 37.1 -62.3 -11.2 13.6 10.7 2.6 68 68 A V H <4 S+ 0 0 119 -3,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.780 118.6 45.5-101.2 -50.8 15.1 13.1 0.0 69 69 A L H < 0 0 144 -4,-2.6 -3,-0.2 -5,-0.0 -2,-0.2 0.939 360.0 360.0 -59.8 -53.3 12.6 15.9 -0.1 70 70 A E < 0 0 179 -4,-2.5 -3,-0.2 -5,-0.1 -4,-0.1 0.960 360.0 360.0 -69.3 360.0 12.1 16.3 3.7