==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 29-APR-11 2LCH . COMPND 2 MOLECULE: PROTEIN OR38; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR J.L.MILLS,G.MURPHY,M.MILEY,M.MACHIUS,B.KUHLMAN,G.T.MONTELION . 113 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 86.7 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 . 9 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 1 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 0 219 0, 0.0 2,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.5 -10.6 5.0 27.2 2 2 A G + 0 0 98 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.463 360.0 96.9 -83.5 64.5 -13.5 6.9 25.6 3 3 A S S S- 0 0 90 -2,-1.6 2,-0.8 4,-0.0 3,-0.1 -0.992 79.3-106.5-152.0 150.1 -13.2 5.0 22.2 4 4 A H >> - 0 0 145 -2,-0.3 4,-1.0 1,-0.2 3,-0.8 -0.723 23.0-171.1 -83.3 106.7 -14.8 2.0 20.4 5 5 A Q H 3> S+ 0 0 166 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.792 84.6 69.2 -64.7 -30.6 -12.3 -0.9 20.4 6 6 A E H 3> S+ 0 0 146 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.817 96.7 53.2 -55.9 -34.8 -14.7 -2.8 17.9 7 7 A Y H <> S+ 0 0 161 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.948 107.7 48.7 -65.0 -50.6 -13.7 -0.1 15.3 8 8 A I H X S+ 0 0 79 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.873 108.1 56.1 -58.2 -41.2 -9.9 -0.8 15.7 9 9 A K H X S+ 0 0 151 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.922 110.8 43.4 -53.7 -50.9 -10.6 -4.6 15.4 10 10 A K H X S+ 0 0 116 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.942 112.0 52.5 -61.8 -51.4 -12.3 -4.1 12.0 11 11 A V H X S+ 0 0 11 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.811 104.9 57.3 -57.7 -36.3 -9.6 -1.6 10.7 12 12 A T H X S+ 0 0 24 -4,-1.9 4,-0.7 -5,-0.2 3,-0.2 0.949 113.7 36.8 -59.8 -52.0 -6.8 -4.1 11.6 13 13 A D H X S+ 0 0 82 -4,-1.4 4,-1.7 1,-0.2 3,-0.2 0.795 110.3 60.6 -76.2 -31.0 -8.3 -6.9 9.4 14 14 A E H X S+ 0 0 84 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.790 99.8 59.7 -62.0 -29.9 -9.5 -4.5 6.6 15 15 A L H X S+ 0 0 12 -4,-1.2 4,-2.0 -3,-0.2 -1,-0.2 0.865 103.2 49.7 -63.8 -40.7 -5.7 -3.6 6.3 16 16 A K H X S+ 0 0 79 -4,-0.7 4,-2.0 -3,-0.2 -2,-0.2 0.904 111.8 48.3 -64.8 -43.9 -4.9 -7.4 5.4 17 17 A E H X S+ 0 0 122 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.842 110.7 52.0 -60.1 -37.1 -7.7 -7.3 2.8 18 18 A L H X S+ 0 0 25 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.887 108.2 49.5 -71.0 -42.1 -6.3 -4.1 1.4 19 19 A I H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.886 112.2 50.2 -59.4 -41.7 -2.7 -5.6 1.2 20 20 A Q H X S+ 0 0 102 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 111.3 46.9 -61.7 -52.1 -4.3 -8.6 -0.7 21 21 A N H X S+ 0 0 86 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.908 115.2 46.0 -57.7 -47.7 -6.3 -6.3 -3.2 22 22 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 112.3 49.4 -63.8 -46.8 -3.1 -4.2 -3.9 23 23 A N H X S+ 0 0 18 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.812 112.3 49.7 -64.4 -30.8 -0.8 -7.2 -4.3 24 24 A D H X S+ 0 0 60 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.856 111.2 48.6 -71.0 -39.1 -3.4 -8.7 -6.8 25 25 A D H X S+ 0 0 16 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.874 107.1 55.7 -64.9 -40.4 -3.5 -5.4 -8.7 26 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.825 100.6 59.7 -63.5 -33.3 0.4 -5.4 -8.8 27 27 A K H X S+ 0 0 97 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.908 106.6 47.0 -57.8 -43.0 0.2 -8.9 -10.5 28 28 A E H X S+ 0 0 61 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.685 110.4 52.2 -73.6 -24.1 -1.8 -7.2 -13.3 29 29 A V H < S+ 0 0 0 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.786 103.3 56.3 -78.5 -34.1 0.8 -4.3 -13.4 30 30 A E H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.780 114.2 43.1 -61.7 -25.5 3.6 -6.9 -13.8 31 31 A K H < S+ 0 0 134 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.877 133.0 19.9 -81.6 -48.0 1.5 -7.9 -16.8 32 32 A N >< + 0 0 83 -4,-1.9 3,-1.6 1,-0.1 -1,-0.2 -0.818 69.7 179.4-125.7 83.3 0.8 -4.2 -17.9 33 33 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.894 82.7 51.1 -52.2 -42.3 3.5 -1.9 -16.4 34 34 A E T 3 S+ 0 0 143 48,-0.1 2,-1.2 2,-0.0 3,-0.1 0.197 75.0 127.7 -85.5 16.2 2.1 1.3 -18.0 35 35 A D <> + 0 0 37 -3,-1.6 4,-1.7 1,-0.2 3,-0.1 -0.625 31.2 176.7 -79.6 95.7 -1.5 0.6 -16.7 36 36 A M H > S+ 0 0 41 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.693 75.5 62.6 -75.4 -23.0 -2.3 4.0 -15.1 37 37 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 107.3 43.4 -66.2 -44.1 -5.9 2.8 -14.2 38 38 A Y H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 114.1 49.9 -68.5 -43.0 -4.4 0.0 -12.0 39 39 A W H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.813 105.3 59.2 -65.3 -30.3 -1.8 2.4 -10.5 40 40 A N H X S+ 0 0 60 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.938 109.4 43.3 -58.8 -48.9 -4.7 4.9 -9.8 41 41 A K H X S+ 0 0 75 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.964 113.5 49.8 -59.9 -55.0 -6.4 2.2 -7.6 42 42 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.859 109.6 52.1 -56.3 -42.9 -3.1 1.1 -5.8 43 43 A Y H X S+ 0 0 72 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.921 113.9 43.1 -56.7 -48.6 -2.3 4.8 -5.0 44 44 A R H X S+ 0 0 147 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.770 114.9 49.1 -72.4 -30.4 -5.8 5.4 -3.4 45 45 A L H X S+ 0 0 43 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.894 112.8 46.7 -76.2 -43.3 -5.8 2.0 -1.5 46 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.811 107.0 60.2 -64.7 -33.6 -2.3 2.6 -0.1 47 47 A H H X S+ 0 0 79 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.912 104.4 48.8 -56.2 -46.1 -3.6 6.2 0.8 48 48 A T H X S+ 0 0 67 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.900 111.5 49.1 -62.9 -42.0 -6.3 4.4 3.0 49 49 A M H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.892 111.6 50.2 -60.1 -44.2 -3.5 2.2 4.7 50 50 A K H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.940 109.1 49.9 -61.0 -51.7 -1.4 5.4 5.3 51 51 A E H X S+ 0 0 72 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.885 110.5 52.5 -53.1 -44.9 -4.4 7.3 6.9 52 52 A I H X S+ 0 0 21 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.955 112.9 40.9 -56.7 -57.1 -5.0 4.2 9.2 53 53 A T H X>S+ 0 0 6 -4,-2.2 5,-2.0 1,-0.2 4,-0.7 0.812 114.3 53.4 -68.8 -29.8 -1.4 4.0 10.5 54 54 A E H <5S+ 0 0 92 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.880 110.3 47.3 -67.7 -40.0 -1.1 7.8 10.9 55 55 A T H <5S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.675 111.6 50.9 -75.4 -21.1 -4.4 7.8 13.0 56 56 A M H <5S- 0 0 57 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.608 117.5-119.8 -82.7 -18.9 -2.8 4.9 15.0 57 57 A G T <5 + 0 0 56 -4,-0.7 2,-1.2 1,-0.2 -3,-0.2 0.434 64.0 144.4 95.3 2.3 0.3 7.1 15.5 58 58 A F >< + 0 0 49 -5,-2.0 4,-2.2 1,-0.2 -1,-0.2 -0.623 17.7 171.9 -79.6 94.7 2.8 4.7 13.7 59 59 A S H > S+ 0 0 101 -2,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.829 77.3 55.3 -70.8 -35.7 5.3 7.0 11.9 60 60 A S H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.924 113.6 39.9 -63.8 -47.5 7.6 4.0 10.9 61 61 A V H >> S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.955 114.1 54.3 -64.5 -49.6 4.7 2.1 9.2 62 62 A A H 3X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.784 101.9 60.1 -55.1 -33.6 3.3 5.3 7.7 63 63 A K H 3X S+ 0 0 153 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.915 102.6 51.0 -60.2 -46.0 6.8 6.0 6.2 64 64 A V H < S+ 0 0 91 -4,-1.4 3,-1.0 -3,-0.3 6,-0.5 0.769 103.5 64.3 -75.2 -30.2 5.2 9.8 -10.5 75 75 A M H 3< S+ 0 0 1 -4,-1.2 6,-0.2 1,-0.2 -1,-0.2 0.861 91.1 66.1 -59.6 -38.9 4.3 6.5 -12.4 76 76 A L T 3< S+ 0 0 83 -4,-1.5 2,-0.5 -3,-0.1 -1,-0.2 0.741 94.8 69.2 -52.0 -29.0 1.1 8.3 -13.7 77 77 A N S X> S- 0 0 67 -3,-1.0 3,-1.5 -4,-0.3 4,-1.4 -0.876 77.4-146.1-102.7 123.3 3.4 10.7 -15.6 78 78 A S T 34 S+ 0 0 106 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.611 92.0 80.4 -61.8 -15.2 5.4 9.2 -18.7 79 79 A E T 34 S+ 0 0 180 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.887 106.3 27.6 -55.7 -42.6 8.3 11.6 -17.8 80 80 A I T <4 S- 0 0 58 -3,-1.5 -2,-0.2 -6,-0.5 -1,-0.2 0.854 102.1-160.3 -89.7 -42.5 9.4 9.1 -15.0 81 81 A K < - 0 0 131 -4,-1.4 2,-0.8 -7,-0.4 -5,-0.1 0.386 25.2 -85.3 69.4 154.9 8.0 5.8 -16.6 82 82 A I - 0 0 11 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.1 -0.830 38.4-155.0-100.3 103.0 7.2 2.5 -14.9 83 83 A T > - 0 0 75 -2,-0.8 4,-1.4 1,-0.1 3,-0.2 -0.618 17.7-131.8 -74.4 137.0 10.3 0.2 -14.6 84 84 A S H > S+ 0 0 74 -2,-0.3 4,-0.7 1,-0.2 3,-0.3 0.899 109.4 45.6 -54.5 -46.1 9.4 -3.6 -14.4 85 85 A D H > S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.757 105.4 61.6 -69.9 -29.7 11.8 -4.1 -11.3 86 86 A L H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.819 97.1 58.3 -66.8 -34.1 10.4 -0.9 -9.7 87 87 A I H X S+ 0 0 2 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.832 104.1 52.7 -60.2 -34.7 6.9 -2.6 -9.6 88 88 A D H X S+ 0 0 68 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.776 105.0 54.5 -72.6 -28.9 8.6 -5.4 -7.5 89 89 A K H X S+ 0 0 122 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.919 108.6 48.2 -67.4 -45.4 9.9 -2.6 -5.2 90 90 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.927 114.5 47.1 -54.7 -48.8 6.3 -1.4 -4.7 91 91 A K H X S+ 0 0 43 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.911 110.8 50.0 -60.4 -49.0 5.2 -5.0 -4.0 92 92 A K H X S+ 0 0 145 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.844 112.0 47.4 -63.9 -41.0 8.1 -5.8 -1.6 93 93 A K H X S+ 0 0 72 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.847 112.6 49.6 -64.3 -38.9 7.3 -2.6 0.6 94 94 A L H X S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 3,-0.2 0.836 109.8 51.3 -73.4 -34.9 3.6 -3.5 0.6 95 95 A D H >X S+ 0 0 71 -4,-2.3 4,-1.0 1,-0.2 3,-0.8 0.865 104.5 58.8 -59.8 -41.8 4.5 -7.1 1.7 96 96 A M H 3X S+ 0 0 63 -4,-1.5 4,-1.9 1,-0.2 5,-0.2 0.761 89.4 71.9 -62.8 -28.0 6.6 -5.5 4.4 97 97 A V H 3X S+ 0 0 2 -4,-0.8 4,-1.5 -3,-0.2 -1,-0.2 0.865 99.2 47.6 -58.6 -37.8 3.4 -3.7 5.8 98 98 A T H < S+ 0 0 11 -4,-1.9 3,-0.6 2,-0.2 4,-0.3 0.796 104.5 54.6 -77.9 -34.4 5.7 -4.3 10.2 101 101 A L H >< S+ 0 0 40 -4,-1.5 3,-0.8 1,-0.2 4,-0.4 0.725 96.0 68.2 -65.8 -27.2 2.2 -5.0 11.7 102 102 A D G >< S+ 0 0 118 -4,-0.9 3,-0.5 1,-0.2 4,-0.3 0.833 98.6 50.6 -59.4 -32.1 4.0 -8.1 13.3 103 103 A K G X> S+ 0 0 79 -3,-0.6 4,-2.4 -4,-0.4 3,-1.0 0.611 86.0 91.2 -76.4 -15.9 6.0 -5.5 15.4 104 104 A K G <4 S+ 0 0 73 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.770 83.7 51.5 -57.6 -33.0 2.7 -3.7 16.5 105 105 A V G <4 S+ 0 0 138 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.807 118.1 39.2 -69.8 -33.1 2.3 -5.9 19.7 106 106 A S T <4 S- 0 0 90 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.965 75.2-174.3 -79.5 -65.5 6.0 -5.0 20.7 107 107 A G < + 0 0 39 -4,-2.4 2,-1.6 1,-0.2 -3,-0.1 0.394 36.2 134.1 81.8 -2.0 6.2 -1.3 19.7 108 108 A S - 0 0 96 -5,-0.2 2,-1.7 1,-0.1 -1,-0.2 -0.605 31.6-178.2 -82.1 81.3 10.0 -1.2 20.6 109 109 A Y - 0 0 60 -2,-1.6 2,-1.4 1,-0.1 -1,-0.1 -0.553 66.1 -72.5 -84.1 69.5 11.3 0.7 17.4 110 110 A L S S+ 0 0 183 -2,-1.7 -1,-0.1 1,-0.1 -2,-0.1 -0.063 101.8 121.0 71.9 -33.0 15.0 0.6 18.4 111 111 A V - 0 0 91 -2,-1.4 -1,-0.1 1,-0.1 0, 0.0 -0.341 69.1-127.6 -63.7 137.8 14.7 3.2 21.3 112 112 A P 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.827 360.0 360.0 -54.3 -36.5 15.7 2.0 24.8 113 113 A R 0 0 258 0, 0.0 -5,-0.0 0, 0.0 -2,-0.0 -0.904 360.0 360.0-143.2 360.0 12.4 3.1 26.4