==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 12-JUN-07 2Q8V . COMPND 2 MOLECULE: NBLA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS VULCANUS; . AUTHOR N.ADIR,M.DINES . 104 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 79.8 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 66.3 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+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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 8 A L 0 0 131 0, 0.0 2,-0.3 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 150.6 23.0 12.4 29.2 2 9 A N + 0 0 114 92,-0.4 96,-0.3 1,-0.1 95,-0.1 -0.666 360.0 152.1 -81.7 134.2 23.0 10.7 25.8 3 10 A V + 0 0 62 -2,-0.3 91,-0.2 91,-0.1 -1,-0.1 0.549 38.6 97.6-132.8 -32.9 20.6 12.1 23.2 4 11 A D S S- 0 0 142 1,-0.1 2,-0.1 90,-0.1 -2,-0.0 -0.288 79.1-103.5 -64.4 146.7 22.1 11.4 19.8 5 12 A L - 0 0 20 1,-0.1 -1,-0.1 4,-0.1 -2,-0.1 -0.436 31.0-136.6 -68.4 155.5 20.9 8.4 17.7 6 13 A S - 0 0 59 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.532 33.7 -97.5 -99.5 -13.4 23.3 5.6 17.7 7 14 A F S S+ 0 0 158 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.748 125.0 50.0 69.4 103.5 23.9 4.0 14.3 8 15 A E S > S+ 0 0 119 0, 0.0 4,-0.7 0, 0.0 -3,-0.0 -0.267 113.2 47.6 103.1 -43.7 21.5 1.2 14.7 9 16 A Q H > S+ 0 0 14 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.668 111.7 50.3 -84.9 -30.5 19.0 3.7 15.8 10 17 A E H > S+ 0 0 52 2,-0.2 4,-1.0 1,-0.2 -5,-0.0 0.883 110.6 49.4 -71.5 -36.3 20.0 5.7 12.8 11 18 A F H >> S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.906 106.4 56.5 -61.6 -43.8 19.5 2.4 10.9 12 19 A Q H 3X S+ 0 0 104 -4,-0.7 4,-2.5 1,-0.3 -2,-0.2 0.820 101.0 57.7 -60.2 -31.9 16.1 2.0 12.5 13 20 A M H 3X S+ 0 0 6 -4,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.837 102.9 53.6 -66.0 -33.9 15.1 5.5 11.2 14 21 A R H < S+ 0 0 109 -4,-2.7 3,-1.0 1,-0.2 4,-0.3 0.919 113.6 48.0 -60.6 -42.9 7.6 1.8 6.3 20 27 A V H >< S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.836 102.5 61.7 -69.5 -32.8 6.1 5.3 6.6 21 28 A S H 3< S+ 0 0 73 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.642 104.9 50.3 -69.7 -15.0 6.4 6.0 2.9 22 29 A A T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.510 89.6 116.7 -92.7 -6.9 4.0 3.1 2.3 23 30 A M < - 0 0 14 -3,-1.4 56,-0.1 -4,-0.3 2,-0.1 -0.358 62.2-127.3 -76.9 140.8 1.4 4.3 4.8 24 31 A S > - 0 0 56 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.360 31.2-107.1 -70.0 159.0 -2.2 5.3 4.0 25 32 A L H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.923 121.4 48.9 -53.2 -48.2 -3.4 8.7 5.2 26 33 A Q H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 113.7 45.8 -58.7 -44.6 -5.6 7.1 7.9 27 34 A E H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.880 111.8 49.2 -70.9 -43.4 -2.7 4.9 9.2 28 35 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.904 111.6 53.0 -58.7 -42.0 -0.1 7.7 9.3 29 36 A R H X S+ 0 0 63 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.902 110.6 43.6 -63.3 -44.6 -2.6 9.8 11.2 30 37 A E H X S+ 0 0 90 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.810 113.2 51.5 -74.6 -28.1 -3.3 7.2 13.9 31 38 A L H X S+ 0 0 45 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.870 106.5 54.9 -75.1 -35.8 0.4 6.3 14.3 32 39 A L H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.872 110.9 45.7 -59.5 -40.8 1.3 10.0 14.7 33 40 A L H X S+ 0 0 37 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.885 111.4 50.7 -72.0 -41.8 -1.3 10.2 17.5 34 41 A Q H X S+ 0 0 124 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.944 113.7 46.0 -57.4 -47.3 -0.1 7.0 19.2 35 42 A A H X S+ 0 0 9 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.869 109.6 55.4 -62.3 -38.9 3.5 8.4 19.0 36 43 A S H X S+ 0 0 11 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.873 110.0 45.2 -63.5 -42.7 2.3 11.8 20.3 37 44 A R H X S+ 0 0 92 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.907 112.8 50.7 -65.7 -43.8 0.7 10.1 23.4 38 45 A L H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.837 104.8 58.7 -64.5 -32.3 3.9 8.0 23.9 39 46 A L H X S+ 0 0 26 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.937 108.2 45.1 -61.0 -46.3 6.0 11.2 23.7 40 47 A M H X S+ 0 0 27 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.869 109.1 56.0 -64.1 -38.9 4.1 12.7 26.6 41 48 A M H X S+ 0 0 80 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.887 106.6 50.7 -62.6 -38.3 4.4 9.4 28.5 42 49 A K H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.856 104.3 57.1 -67.2 -35.4 8.2 9.5 28.2 43 50 A D H X S+ 0 0 74 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.903 108.0 48.7 -58.3 -41.4 8.3 13.1 29.5 44 51 A N H X S+ 0 0 31 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.884 109.9 50.7 -65.2 -40.6 6.5 11.8 32.6 45 52 A V H X S+ 0 0 68 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 112.4 47.5 -61.7 -43.2 9.1 8.9 32.8 46 53 A I H X S+ 0 0 35 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.881 109.2 53.8 -64.2 -41.2 11.9 11.4 32.6 47 54 A R H X S+ 0 0 131 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 109.7 48.0 -62.7 -38.5 10.3 13.7 35.2 48 55 A S H X S+ 0 0 72 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.887 109.5 50.6 -70.9 -39.0 10.1 10.8 37.6 49 56 A L H < S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.5 44.0 -65.7 -39.5 13.7 9.6 37.2 50 57 A V H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.857 105.0 61.8 -70.1 -36.8 14.8 13.2 37.7 51 58 A K H < S+ 0 0 150 -4,-2.3 2,-2.8 1,-0.3 -2,-0.2 0.885 87.9 77.2 -56.6 -38.6 12.4 13.5 40.7 52 59 A R < 0 0 212 -4,-1.8 -1,-0.3 1,-0.2 -4,-0.1 -0.354 360.0 360.0 -69.6 56.1 14.5 10.8 42.2 53 60 A A 0 0 133 -2,-2.8 -1,-0.2 -3,-0.0 -2,-0.1 -0.345 360.0 360.0-107.8 360.0 17.1 13.4 43.0 54 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 12 B L 0 0 191 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.0 -0.7 8.3 32.7 56 13 B S - 0 0 21 1,-0.1 4,-0.2 2,-0.1 -15,-0.1 -0.358 360.0-114.6 -76.9 141.9 -1.1 11.7 31.2 57 14 B F > - 0 0 115 2,-0.1 3,-0.8 -17,-0.1 -1,-0.1 -0.066 38.2 -95.9 -59.7 165.8 -1.5 15.0 33.3 58 15 B E T 3 S+ 0 0 151 1,-0.3 2,-2.6 2,-0.1 3,-0.4 0.945 121.5 76.8 -47.9 -50.6 -4.7 17.0 33.1 59 16 B Q T > + 0 0 122 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.161 59.6 112.0 -52.0 25.5 -3.0 19.1 30.5 60 17 B E T <> + 0 0 68 -2,-2.6 4,-0.7 -3,-0.8 -1,-0.3 0.049 44.0 98.2 -84.0 15.6 -3.8 16.1 28.3 61 18 B F H >> + 0 0 147 -3,-0.4 4,-2.4 1,-0.2 3,-0.5 0.789 69.6 72.1 -58.9 -33.5 -6.0 18.7 26.8 62 19 B Q H <> S+ 0 0 105 -3,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.834 90.9 53.4 -50.0 -42.7 -2.9 18.6 24.5 63 20 B M H 3> S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.854 107.0 50.7 -63.1 -38.6 -4.0 15.2 23.1 64 21 B R H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.952 111.9 50.5 -51.5 -55.0 -5.8 19.5 20.4 66 23 B M H 3X S+ 0 0 49 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.863 107.3 54.5 -52.6 -42.5 -3.4 17.1 18.7 67 24 B E H 3X S+ 0 0 66 -4,-2.4 4,-1.5 2,-0.2 -1,-0.3 0.881 108.3 50.0 -60.7 -38.3 -6.3 15.0 17.5 68 25 B E H << S+ 0 0 140 -4,-1.9 3,-0.3 -3,-0.5 4,-0.3 0.961 113.1 44.3 -64.3 -53.0 -7.9 18.0 16.0 69 26 B Q H >< S+ 0 0 107 -4,-2.3 3,-1.6 1,-0.2 4,-0.2 0.895 111.3 54.0 -57.6 -45.0 -4.8 19.1 14.1 70 27 B V H >< S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.827 98.8 62.6 -63.0 -34.3 -4.0 15.5 12.9 71 28 B S T 3< S+ 0 0 67 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.537 109.3 42.2 -69.9 -6.4 -7.5 15.1 11.4 72 29 B A T < S+ 0 0 84 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.279 90.5 113.3-121.0 7.6 -6.7 17.9 9.0 73 30 B M < - 0 0 20 -3,-1.2 2,-0.2 -4,-0.2 -44,-0.1 -0.524 63.5-125.2 -77.4 147.3 -3.1 16.9 8.1 74 31 B S > - 0 0 60 -2,-0.2 4,-2.9 1,-0.1 3,-0.4 -0.468 29.3-103.7 -82.4 162.1 -2.2 15.8 4.6 75 32 B L H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 122.6 53.9 -47.9 -48.8 -0.4 12.4 4.0 76 33 B Q H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 113.3 40.8 -59.4 -38.7 2.8 14.3 3.5 77 34 B E H > S+ 0 0 86 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.874 112.3 53.2 -82.5 -37.4 2.6 16.1 6.8 78 35 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.918 113.5 46.5 -60.3 -42.7 1.3 13.1 8.8 79 36 B R H X S+ 0 0 68 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.893 113.6 46.5 -64.2 -46.3 4.3 11.1 7.4 80 37 B E H X S+ 0 0 104 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.956 116.5 44.2 -62.2 -50.9 6.9 13.9 8.1 81 38 B L H X S+ 0 0 49 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.881 111.1 53.6 -63.3 -42.4 5.6 14.4 11.7 82 39 B L H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.904 109.8 49.1 -57.2 -44.2 5.3 10.7 12.4 83 40 B L H X S+ 0 0 36 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.921 111.3 49.0 -65.6 -41.1 8.9 10.3 11.3 84 41 B Q H X S+ 0 0 121 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 110.2 50.9 -61.3 -47.8 9.9 13.2 13.6 85 42 B A H X S+ 0 0 6 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.911 108.1 52.6 -55.3 -46.0 8.0 11.8 16.5 86 43 B S H X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.844 109.3 50.2 -60.9 -35.7 9.8 8.4 16.0 87 44 B R H X S+ 0 0 89 -4,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.912 111.5 47.8 -65.4 -45.4 13.1 10.2 16.1 88 45 B L H X S+ 0 0 66 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.866 106.0 58.4 -63.1 -38.5 12.1 12.0 19.3 89 46 B L H X S+ 0 0 26 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.905 108.5 45.2 -56.9 -44.7 11.0 8.7 20.9 90 47 B M H X S+ 0 0 23 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.907 112.2 51.8 -66.4 -44.5 14.5 7.2 20.4 91 48 B M H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.950 112.0 46.2 -54.2 -52.6 16.1 10.4 21.7 92 49 B K H X S+ 0 0 40 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.852 109.6 55.2 -58.7 -37.2 13.9 10.3 24.8 93 50 B D H X S+ 0 0 48 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.927 107.0 51.1 -58.7 -44.4 14.7 6.5 25.1 94 51 B N H X S+ 0 0 14 -4,-2.5 4,-1.8 2,-0.2 -92,-0.4 0.920 109.9 48.2 -59.5 -47.3 18.4 7.6 25.1 95 52 B V H X S+ 0 0 23 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.935 111.4 50.2 -55.6 -49.5 17.8 10.1 27.9 96 53 B I H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.891 109.2 53.2 -59.7 -38.5 15.9 7.5 29.9 97 54 B R H X S+ 0 0 146 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.855 110.4 46.9 -63.3 -37.6 18.8 5.1 29.4 98 55 B S H X S+ 0 0 10 -4,-1.8 4,-1.8 -96,-0.3 -2,-0.2 0.912 110.5 50.4 -73.4 -44.3 21.3 7.6 30.7 99 56 B L H < S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.8 46.1 -61.0 -39.9 19.3 8.5 33.8 100 57 B V H < S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 106.0 59.4 -66.9 -43.6 18.9 4.9 34.7 101 58 B K H < S+ 0 0 174 -4,-1.9 2,-4.4 1,-0.3 -2,-0.2 0.836 82.9 81.8 -57.6 -38.7 22.6 4.2 34.0 102 59 B R < + 0 0 209 -4,-1.8 2,-0.9 1,-0.2 -1,-0.3 -0.168 60.5 145.4 -59.3 47.9 23.4 6.8 36.7 103 60 B A + 0 0 75 -2,-4.4 2,-1.4 2,-0.1 -1,-0.2 -0.532 2.9 146.9 -95.7 58.8 22.7 3.8 39.1 104 61 B A 0 0 106 -2,-0.9 -2,-0.1 0, 0.0 -1,-0.1 -0.739 360.0 360.0 -80.8 75.3 25.3 4.7 41.7 105 62 B R 0 0 139 -2,-1.4 -2,-0.1 0, 0.0 -3,-0.0 -0.503 360.0 360.0-166.9 360.0 22.8 3.2 44.1