==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 18-AUG-93 2BCB . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.KORDEL,N.J.SKELTON,M.AKKE,W.J.CHAZIN . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 65.3 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 . 4 5.3 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 . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 42.7 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 1 0 1 1 1 0 0 0 0 0 0 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 . 0 0 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 ANTIPARALLEL 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 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 K 0 0 227 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.5 -16.4 -1.8 -3.5 2 2 A S >> - 0 0 53 1,-0.0 3,-1.6 0, 0.0 4,-1.3 -0.945 360.0 -84.9-165.4 165.7 -14.8 1.3 -5.3 3 3 A P H 3> S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.839 123.5 65.9 -48.4 -38.3 -11.5 3.3 -5.2 4 4 A E H 3> S+ 0 0 145 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.862 99.7 50.5 -52.3 -40.3 -12.9 5.2 -2.2 5 5 A E H <> S+ 0 0 86 -3,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.951 111.2 46.7 -65.2 -48.0 -12.8 2.0 -0.2 6 6 A L H X S+ 0 0 37 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.872 112.7 51.7 -61.9 -36.6 -9.2 1.3 -1.2 7 7 A K H X S+ 0 0 115 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.913 109.8 48.7 -64.5 -44.4 -8.4 4.9 -0.3 8 8 A G H X S+ 0 0 36 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.936 113.9 46.2 -60.7 -48.1 -10.1 4.5 3.1 9 9 A I H X S+ 0 0 42 -4,-2.8 4,-1.6 2,-0.2 5,-0.2 0.917 112.8 49.4 -61.6 -46.8 -8.0 1.3 3.7 10 10 A F H X S+ 0 0 6 -4,-2.9 4,-3.1 1,-0.2 3,-0.4 0.964 114.2 46.2 -54.5 -53.7 -4.8 3.0 2.5 11 11 A E H X S+ 0 0 109 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.876 102.6 66.2 -56.4 -43.2 -5.6 6.0 4.8 12 12 A K H < S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 114.4 28.9 -48.2 -50.8 -6.4 3.5 7.7 13 13 A Y H >< S+ 0 0 22 -4,-1.6 3,-2.6 -3,-0.4 4,-0.5 0.920 115.1 60.8 -81.1 -42.4 -2.8 2.4 7.8 14 14 A A H 3< S+ 0 0 0 -4,-3.1 3,-0.4 1,-0.3 8,-0.2 0.846 95.3 66.6 -49.7 -35.6 -1.2 5.7 6.6 15 15 A A T 3< S+ 0 0 58 -4,-2.9 -1,-0.3 5,-0.3 4,-0.2 0.636 86.3 71.8 -60.8 -17.0 -2.8 7.3 9.7 16 16 A K S < S- 0 0 123 -3,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.979 113.4 -10.1 -66.6 -58.1 -0.5 5.3 12.1 17 17 A E S S+ 0 0 123 -4,-0.5 7,-0.4 -3,-0.4 -1,-0.2 -0.991 120.9 28.2-144.2 150.0 2.8 7.1 11.3 18 18 A G S S- 0 0 39 -2,-0.3 4,-0.4 -3,-0.1 -1,-0.1 0.810 117.9 -58.6 69.9 36.5 4.2 9.7 8.8 19 19 A D > - 0 0 95 -4,-0.2 3,-2.5 1,-0.1 -2,-0.2 0.659 56.6 -92.3 70.3 135.9 0.8 11.5 8.1 20 20 A P T 3 S+ 0 0 59 0, 0.0 -5,-0.3 0, 0.0 -6,-0.2 0.552 121.3 66.6 -53.6 -9.8 -2.4 9.9 6.7 21 21 A N T 3 S+ 0 0 93 -7,-0.2 42,-0.7 -3,-0.1 2,-0.3 0.707 100.6 54.4 -84.2 -21.6 -1.3 10.8 3.2 22 22 A Q E < -A 62 0A 59 -3,-2.5 2,-0.6 -4,-0.4 40,-0.3 -0.908 65.8-144.7-122.8 148.1 1.7 8.3 3.3 23 23 A L E -A 61 0A 0 38,-1.9 38,-3.1 -2,-0.3 36,-0.1 -0.907 25.4-141.4-101.6 109.1 2.3 4.6 4.0 24 24 A S E >> -A 60 0A 20 -2,-0.6 4,-2.9 -7,-0.4 3,-0.6 -0.339 25.6-109.7 -67.4 155.0 5.6 4.0 5.7 25 25 A K H 3> S+ 0 0 68 34,-0.7 4,-1.5 1,-0.3 -1,-0.1 0.941 124.1 44.4 -47.9 -54.4 7.6 0.9 4.6 26 26 A E H 3> S+ 0 0 139 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.761 113.6 53.4 -61.1 -27.0 6.9 -0.7 8.0 27 27 A E H <> S+ 0 0 5 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.905 101.4 56.2 -77.7 -44.9 3.2 0.5 7.7 28 28 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.4 0.892 102.0 60.9 -53.1 -43.0 2.6 -1.0 4.2 29 29 A K H X S+ 0 0 55 -4,-1.5 4,-2.9 -5,-0.2 5,-0.2 0.965 108.1 40.1 -49.3 -66.7 3.7 -4.4 5.7 30 30 A L H X S+ 0 0 72 -4,-1.1 4,-2.2 2,-0.2 5,-0.3 0.884 117.1 52.4 -49.7 -45.4 0.8 -4.5 8.3 31 31 A L H >X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 3,-0.6 0.983 113.3 40.4 -56.3 -64.2 -1.6 -3.0 5.6 32 32 A L H 3X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.864 114.2 55.9 -53.1 -40.9 -0.9 -5.6 2.9 33 33 A Q H 3< S+ 0 0 120 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.861 117.0 33.3 -63.4 -39.2 -0.8 -8.4 5.6 34 34 A T H << S+ 0 0 86 -4,-2.2 -2,-0.2 -3,-0.6 -1,-0.2 0.911 131.1 30.4 -80.6 -47.7 -4.3 -7.5 6.9 35 35 A E H < S+ 0 0 51 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.829 131.8 18.5 -85.3 -40.1 -5.9 -6.4 3.6 36 36 A F X + 0 0 11 -4,-2.1 4,-2.2 -5,-0.4 -3,-0.2 -0.051 68.5 132.3-129.9 36.0 -4.3 -8.3 0.7 37 37 A P T 4 S+ 0 0 83 0, 0.0 5,-0.3 0, 0.0 4,-0.2 0.927 94.4 23.9 -55.7 -47.8 -2.5 -11.5 2.1 38 38 A S T >4 S+ 0 0 93 1,-0.1 3,-2.2 2,-0.1 -2,-0.1 0.882 118.4 62.6 -79.5 -43.9 -4.0 -13.7 -0.6 39 39 A L T 34 S+ 0 0 78 1,-0.3 36,-0.4 -4,-0.1 -1,-0.1 0.730 86.9 71.9 -60.0 -26.5 -4.8 -10.9 -3.1 40 40 A L T 3< S- 0 0 44 -4,-2.2 -1,-0.3 -8,-0.2 -2,-0.1 0.783 83.3-161.2 -59.5 -24.8 -1.0 -10.1 -3.5 41 41 A K < + 0 0 145 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.1 0.831 69.7 25.5 42.4 43.2 -0.9 -13.5 -5.4 42 42 A G S S- 0 0 57 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.940 73.9-148.5 164.0-166.2 2.8 -13.5 -4.8 43 43 A G + 0 0 69 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.907 14.5 170.2 178.2 162.1 5.3 -12.1 -2.2 44 44 A S - 0 0 85 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 -0.938 49.3 -45.2-170.2 179.0 8.9 -10.8 -2.0 45 45 A T > - 0 0 92 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.381 52.3-122.2 -64.7 137.0 11.3 -8.9 0.3 46 46 A L H > S+ 0 0 54 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.867 111.1 48.0 -44.2 -53.3 9.8 -5.8 2.0 47 47 A D H > S+ 0 0 72 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.961 113.9 45.0 -57.7 -57.8 12.5 -3.5 0.6 48 48 A E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 118.4 45.2 -52.1 -48.7 12.2 -4.8 -3.0 49 49 A L H X S+ 0 0 25 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.973 116.5 41.6 -60.9 -60.7 8.3 -4.7 -2.8 50 50 A F H X S+ 0 0 6 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.868 115.5 53.8 -57.8 -37.3 8.0 -1.3 -1.2 51 51 A E H < S+ 0 0 96 -4,-3.1 -1,-0.2 -5,-0.4 -2,-0.2 0.932 108.3 47.5 -66.3 -43.7 10.7 -0.1 -3.6 52 52 A E H < S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 117.4 44.8 -56.5 -47.2 8.8 -1.3 -6.6 53 53 A L H < S+ 0 0 1 -4,-2.6 2,-2.2 -5,-0.2 -2,-0.2 0.816 92.3 87.4 -64.1 -37.9 5.8 0.4 -5.2 54 54 A D < + 0 0 22 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 -0.440 46.9 165.0 -70.6 76.1 7.7 3.6 -4.3 55 55 A K S S- 0 0 125 -2,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.919 87.4 -18.9 -57.8 -44.5 7.2 5.4 -7.6 56 56 A N S S+ 0 0 114 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 -0.313 106.3 108.0-165.6 65.4 8.3 8.6 -5.8 57 57 A G - 0 0 18 -3,-0.2 4,-0.1 -6,-0.1 3,-0.1 0.772 40.2-179.7-104.4 -62.1 7.9 8.2 -2.1 58 58 A D S S+ 0 0 124 1,-0.2 3,-0.1 -4,-0.1 -7,-0.0 0.819 86.3 20.9 58.5 39.4 11.6 8.0 -1.1 59 59 A G S S+ 0 0 50 -36,-0.1 -34,-0.7 1,-0.0 2,-0.3 -0.157 136.3 7.2 169.7 -50.1 10.6 7.6 2.6 60 60 A E E -A 24 0A 36 -36,-0.2 -36,-0.3 -3,-0.1 -4,-0.1 -0.982 68.1-118.2-151.2 155.2 7.0 6.4 2.4 61 61 A V E -A 23 0A 0 -38,-3.1 -38,-1.9 -2,-0.3 2,-0.3 -0.206 29.2-159.6 -81.1 178.1 4.4 5.2 -0.2 62 62 A S E >> -A 22 0A 12 -40,-0.3 4,-3.1 1,-0.1 3,-0.7 -0.946 38.7 -93.4-154.4 164.2 1.1 7.2 -0.8 63 63 A F H 3> S+ 0 0 44 -42,-0.7 4,-1.3 -2,-0.3 -1,-0.1 0.895 122.3 64.5 -47.5 -44.8 -2.3 6.4 -2.3 64 64 A E H 34 S+ 0 0 144 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.871 114.3 27.5 -40.0 -58.8 -0.9 7.8 -5.6 65 65 A E H X4 S+ 0 0 6 -3,-0.7 3,-2.7 1,-0.2 4,-0.4 0.817 108.6 73.4 -81.2 -36.0 1.8 5.1 -5.9 66 66 A F H >X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.3 3,-1.3 0.735 76.0 81.9 -54.0 -22.7 -0.3 2.5 -4.0 67 67 A Q H 3X S+ 0 0 59 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.3 0.807 81.5 64.5 -54.9 -25.4 -2.5 2.3 -7.2 68 68 A V H <> S+ 0 0 30 -3,-2.7 4,-2.6 2,-0.2 -1,-0.3 0.918 103.3 46.3 -61.9 -39.6 0.3 -0.0 -8.5 69 69 A L H <> S+ 0 0 6 -3,-1.3 4,-2.2 -4,-0.4 -2,-0.2 0.961 108.4 55.5 -64.5 -50.2 -0.8 -2.4 -5.6 70 70 A V H < S+ 0 0 31 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.840 111.5 45.3 -50.7 -36.7 -4.5 -1.8 -6.6 71 71 A K H >< S+ 0 0 149 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.936 112.2 50.3 -72.5 -47.9 -3.4 -3.0 -10.1 72 72 A K H >< S+ 0 0 80 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.704 91.7 73.6 -69.0 -19.9 -1.4 -6.0 -8.9 73 73 A I T 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.855 99.2 49.9 -61.4 -27.9 -4.2 -7.4 -6.6 74 74 A S T < 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 -0.067 360.0 360.0 -93.5 28.6 -5.9 -8.4 -9.9 75 75 A Q < 0 0 146 -3,-2.1 -2,-0.2 -36,-0.4 -3,-0.1 0.313 360.0 360.0-142.1 360.0 -2.4 -9.9 -10.8