==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-APR-07 2PMR . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,B.WU,S.OZYURT,D.SMITH,S.WASSE . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 84.2 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 . 1 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 0 0 0 0 0 0 0 0 0 1 0 0 1 1 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 3 A C > 0 0 75 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -31.1 7.1 34.9 12.8 2 4 A R H > + 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 360.0 48.4 -56.7 -44.9 10.0 34.3 10.4 3 5 A E H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 110.8 50.4 -64.0 -41.6 12.2 33.0 13.2 4 6 A R H > S+ 0 0 159 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.905 113.2 46.9 -61.6 -42.9 9.4 30.6 14.4 5 7 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 112.4 48.8 -63.7 -50.2 8.9 29.3 10.8 6 8 A E H X S+ 0 0 68 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 109.9 51.4 -60.9 -41.6 12.7 28.9 10.2 7 9 A K H X S+ 0 0 111 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.908 111.6 48.1 -61.3 -39.7 13.1 27.0 13.5 8 10 A D H X S+ 0 0 38 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.843 108.5 53.9 -70.7 -32.8 10.2 24.7 12.5 9 11 A L H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.937 111.8 45.1 -62.9 -46.3 11.7 24.1 9.0 10 12 A E H X S+ 0 0 126 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 111.2 53.0 -63.6 -42.9 15.0 23.1 10.6 11 13 A L H X S+ 0 0 74 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.886 105.6 53.9 -61.9 -39.6 13.3 20.8 13.2 12 14 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.926 109.1 49.0 -59.9 -44.5 11.3 19.0 10.4 13 15 A E H X S+ 0 0 84 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.910 111.8 48.3 -61.2 -44.6 14.6 18.2 8.6 14 16 A K H X S+ 0 0 145 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.923 112.4 48.2 -61.1 -46.6 16.2 16.9 11.8 15 17 A N H X S+ 0 0 9 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.863 109.6 53.4 -65.5 -35.4 13.2 14.8 12.6 16 18 A L H >X S+ 0 0 22 -4,-2.3 3,-0.8 -5,-0.2 4,-0.5 0.901 108.6 49.3 -62.5 -43.5 13.2 13.4 9.1 17 19 A M H >< S+ 0 0 101 -4,-2.1 3,-1.1 1,-0.2 4,-0.2 0.888 104.5 58.8 -64.2 -40.5 16.8 12.4 9.4 18 20 A E H 3< S+ 0 0 95 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.741 109.2 47.1 -55.8 -25.2 16.1 10.7 12.7 19 21 A M H X< S+ 0 0 14 -3,-0.8 3,-2.5 -4,-0.7 -1,-0.2 0.507 77.4 101.1-100.1 -8.0 13.6 8.5 10.8 20 22 A K T << S+ 0 0 162 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.673 80.2 55.2 -60.0 -17.9 15.6 7.4 7.8 21 23 A S T 3 S+ 0 0 106 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.513 86.6 100.2 -89.4 -5.1 16.4 3.9 9.2 22 24 A I S < S- 0 0 45 -3,-2.5 2,-0.5 1,-0.0 -3,-0.0 -0.701 73.9-131.9 -85.7 126.3 12.7 3.1 9.8 23 25 A K - 0 0 195 -2,-0.5 2,-0.3 1,-0.0 -2,-0.1 -0.672 30.4-161.9 -77.5 122.8 11.1 0.9 7.1 24 26 A L - 0 0 42 -2,-0.5 2,-0.0 1,-0.1 -1,-0.0 -0.818 15.9-120.8-111.3 147.0 7.8 2.5 6.1 25 27 A S > - 0 0 58 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.291 38.3-102.5 -68.9 164.8 4.7 1.2 4.4 26 28 A D H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 125.2 51.0 -55.8 -40.8 3.6 2.9 1.1 27 29 A D H > S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 109.9 48.6 -67.8 -38.4 0.9 4.7 3.0 28 30 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 109.5 53.0 -65.3 -40.3 3.4 6.0 5.6 29 31 A E H X S+ 0 0 105 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.877 106.2 53.9 -60.4 -36.1 5.7 7.1 2.7 30 32 A A H X S+ 0 0 54 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.871 106.6 51.7 -66.5 -36.1 2.7 9.0 1.3 31 33 A V H X S+ 0 0 42 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.935 111.4 46.9 -63.7 -45.3 2.3 10.8 4.7 32 34 A V H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 111.1 51.3 -61.5 -45.5 6.0 11.7 4.6 33 35 A E H X S+ 0 0 128 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.908 109.2 51.2 -59.5 -42.9 5.7 12.9 1.0 34 36 A R H X S+ 0 0 115 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.924 108.9 51.0 -59.1 -44.3 2.7 15.1 2.0 35 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 109.9 50.0 -59.6 -43.4 4.8 16.6 4.8 36 38 A L H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.884 109.0 52.3 -63.6 -38.9 7.6 17.4 2.4 37 39 A N H X S+ 0 0 79 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.919 111.4 45.6 -61.7 -44.6 5.1 19.0 0.0 38 40 A Y H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.841 109.9 55.2 -71.0 -30.3 3.8 21.2 2.8 39 41 A R H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.940 108.8 48.2 -62.0 -47.4 7.3 22.0 3.9 40 42 A D H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.0 50.1 -59.1 -41.8 8.0 23.2 0.4 41 43 A D H X S+ 0 0 70 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.897 105.7 57.6 -64.6 -38.3 4.8 25.3 0.5 42 44 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.921 107.7 46.7 -56.4 -44.9 5.9 26.8 3.8 43 45 A V H X S+ 0 0 44 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.926 110.5 53.0 -64.0 -44.7 9.1 28.0 2.2 44 46 A Y H X S+ 0 0 121 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.939 114.2 41.4 -53.9 -51.6 7.2 29.4 -0.8 45 47 A Y H <>S+ 0 0 68 -4,-2.7 5,-2.4 2,-0.2 4,-0.4 0.883 112.6 54.7 -68.8 -36.9 4.9 31.4 1.5 46 48 A L H ><5S+ 0 0 7 -4,-2.6 3,-1.6 -5,-0.3 -2,-0.2 0.950 108.6 47.8 -57.7 -49.3 7.7 32.5 3.8 47 49 A E H 3<5S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 110.3 52.3 -66.6 -32.0 9.7 33.9 0.9 48 50 A K T 3<5S- 0 0 130 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.478 118.9-111.9 -78.1 -5.4 6.6 35.8 -0.4 49 51 A G T < 5S+ 0 0 46 -3,-1.6 2,-1.3 -4,-0.4 -3,-0.2 0.579 76.9 131.8 83.6 11.5 6.1 37.3 3.1 50 52 A D >< + 0 0 60 -5,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.678 25.1 167.6 -93.9 79.9 2.8 35.4 3.8 51 53 A H H > + 0 0 64 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.822 67.1 56.3 -67.9 -35.4 3.9 34.3 7.3 52 54 A I H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 113.0 40.4 -62.4 -50.9 0.5 33.1 8.5 53 55 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 115.3 53.1 -64.7 -42.2 0.1 30.6 5.6 54 56 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 109.8 47.1 -58.0 -47.0 3.7 29.7 5.8 55 57 A F H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.925 110.3 52.7 -63.5 -44.5 3.5 28.8 9.5 56 58 A G H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.884 108.8 51.8 -56.3 -40.7 0.3 26.8 9.0 57 59 A C H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.924 112.3 42.8 -64.4 -45.7 2.0 24.8 6.3 58 60 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.882 114.1 49.6 -74.3 -34.4 5.1 23.8 8.4 59 61 A T H X S+ 0 0 57 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 109.8 52.7 -70.1 -35.5 3.1 23.1 11.6 60 62 A Y H X S+ 0 0 94 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.939 108.3 51.1 -59.7 -45.8 0.7 20.9 9.5 61 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.899 108.1 52.4 -58.6 -41.9 3.8 19.1 8.2 62 64 A H H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.877 106.7 53.0 -61.0 -39.5 5.0 18.5 11.8 63 65 A G H X S+ 0 0 42 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.931 108.7 49.7 -60.5 -45.4 1.6 17.0 12.7 64 66 A L H X S+ 0 0 30 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.945 117.1 40.5 -56.8 -49.6 1.9 14.6 9.8 65 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.889 110.4 56.7 -71.2 -39.4 5.4 13.5 10.8 66 68 A D H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.835 100.7 58.7 -64.9 -32.0 4.8 13.5 14.6 67 69 A S H X S+ 0 0 59 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.942 109.0 45.1 -58.7 -45.4 1.9 11.0 14.2 68 70 A L H X S+ 0 0 8 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.894 110.4 53.8 -64.9 -40.2 4.4 8.6 12.5 69 71 A R H <>S+ 0 0 26 -4,-2.3 5,-2.8 1,-0.2 6,-1.4 0.883 111.9 45.9 -61.4 -37.6 7.0 9.3 15.2 70 72 A M H ><5S+ 0 0 104 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.914 111.2 50.6 -71.2 -43.4 4.4 8.4 17.9 71 73 A L H 3<5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 113.4 46.3 -66.0 -30.4 3.2 5.3 16.0 72 74 A H T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.354 114.0-120.4 -91.2 5.0 6.8 4.1 15.7 73 75 A R T < 5S+ 0 0 225 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.779 76.4 128.4 60.0 32.4 7.4 4.9 19.4 74 76 A I S