==== 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 2BCA . 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) . 4702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 70.7 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 . 6 8.0 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 . 1 1.3 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 48.0 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+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 0 1 2 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 . 1 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 . 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 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 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.7 -12.8 -3.5 -2.5 2 2 A S > - 0 0 39 1,-0.1 4,-3.2 0, 0.0 5,-0.3 -0.902 360.0 -89.9-169.1 162.9 -13.3 -0.3 -4.6 3 3 A P H > S+ 0 0 106 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.907 129.0 49.6 -50.3 -45.5 -11.3 2.9 -5.0 4 4 A E H > S+ 0 0 162 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.955 113.9 42.8 -58.2 -56.4 -13.2 4.4 -2.1 5 5 A E H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.930 114.8 51.0 -58.1 -47.6 -12.6 1.4 0.2 6 6 A L H X S+ 0 0 18 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.934 113.2 44.9 -55.9 -50.2 -9.0 1.2 -0.9 7 7 A K H X S+ 0 0 107 -4,-2.9 4,-3.1 -5,-0.3 5,-0.2 0.923 113.8 51.5 -60.1 -45.6 -8.5 4.9 -0.1 8 8 A G H X S+ 0 0 41 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.960 115.3 39.3 -55.1 -58.4 -10.4 4.6 3.2 9 9 A I H X S+ 0 0 41 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.930 115.8 53.6 -59.4 -47.7 -8.3 1.6 4.4 10 10 A F H X S+ 0 0 3 -4,-3.0 4,-3.1 -5,-0.3 -2,-0.2 0.945 114.5 40.7 -49.8 -56.5 -5.1 3.2 3.0 11 11 A E H X S+ 0 0 107 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.929 113.3 53.7 -59.5 -51.3 -5.8 6.5 4.9 12 12 A K H < S+ 0 0 114 -4,-3.1 4,-0.4 -5,-0.2 -1,-0.2 0.898 117.7 37.0 -51.7 -48.2 -6.9 4.7 8.1 13 13 A Y H >< S+ 0 0 34 -4,-2.9 3,-2.5 -5,-0.2 4,-0.3 0.986 115.1 53.2 -67.9 -60.8 -3.7 2.6 8.2 14 14 A A H >< S+ 0 0 0 -4,-3.1 3,-2.7 1,-0.3 -2,-0.2 0.831 96.0 70.5 -41.1 -48.2 -1.4 5.5 6.9 15 15 A A T 3< S+ 0 0 59 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.705 88.0 63.3 -46.0 -30.8 -2.7 7.8 9.7 16 16 A K T < S+ 0 0 125 -3,-2.5 -1,-0.3 -4,-0.4 2,-0.2 0.670 117.5 14.4 -73.5 -15.2 -0.9 5.7 12.4 17 17 A E S < S- 0 0 54 -3,-2.7 5,-0.2 -4,-0.3 6,-0.0 -0.638 120.4 -2.2-138.2-166.8 2.5 6.6 10.9 18 18 A G S S- 0 0 64 -2,-0.2 5,-0.1 2,-0.1 -3,-0.1 0.239 115.4 -41.3 18.4 -85.6 4.3 9.0 8.4 19 19 A D B > -A 22 0A 71 3,-1.0 3,-2.8 -5,-0.2 -3,-0.1 -0.931 56.1-104.3-160.7 147.3 1.2 11.0 7.1 20 20 A P T 3 S+ 0 0 60 0, 0.0 -5,-0.3 0, 0.0 -6,-0.2 0.733 123.3 54.0 -50.4 -25.9 -2.3 9.9 6.1 21 21 A N T 3 S+ 0 0 79 1,-0.1 42,-2.0 -7,-0.1 2,-0.4 0.539 108.1 57.9 -83.5 -9.7 -1.3 10.3 2.4 22 22 A Q E < -AB 19 62A 49 -3,-2.8 -3,-1.0 40,-0.2 2,-0.6 -0.968 65.1-153.5-134.4 120.1 1.8 8.0 2.9 23 23 A L E - B 0 61A 0 38,-2.8 38,-3.0 -2,-0.4 36,-0.1 -0.789 22.3-141.7 -88.4 118.3 2.1 4.3 4.0 24 24 A S E > - B 0 60A 16 -2,-0.6 4,-3.2 36,-0.2 5,-0.3 -0.226 33.1 -98.1 -67.6 169.1 5.5 3.6 5.6 25 25 A K H > S+ 0 0 74 34,-0.7 4,-2.6 1,-0.2 5,-0.1 0.927 128.8 45.6 -54.1 -43.4 7.2 0.2 4.9 26 26 A E H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.970 114.8 44.0 -62.8 -57.8 5.8 -0.9 8.3 27 27 A E H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 114.1 52.3 -58.1 -39.8 2.3 0.6 7.9 28 28 A L H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.959 108.5 50.0 -58.1 -54.2 2.2 -0.9 4.3 29 29 A K H X S+ 0 0 66 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.892 111.1 49.9 -54.1 -42.9 3.2 -4.3 5.7 30 30 A L H X S+ 0 0 72 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.964 114.4 43.6 -60.5 -51.8 0.4 -4.0 8.3 31 31 A L H X S+ 0 0 2 -4,-2.8 4,-3.1 2,-0.2 5,-0.4 0.968 114.3 50.1 -55.8 -57.6 -2.2 -3.1 5.6 32 32 A L H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 8,-0.2 0.899 111.2 48.6 -49.1 -51.4 -0.9 -5.7 3.1 33 33 A Q H < S+ 0 0 92 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.896 115.7 45.1 -58.3 -42.1 -1.1 -8.5 5.8 34 34 A T H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.949 128.9 22.1 -66.7 -52.1 -4.6 -7.4 6.8 35 35 A E H < S+ 0 0 40 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.880 137.7 19.1 -86.5 -45.1 -6.1 -7.0 3.2 36 36 A F X + 0 0 20 -4,-2.4 4,-2.5 -5,-0.4 5,-0.2 -0.492 61.5 160.7-132.0 62.6 -3.9 -9.2 0.9 37 37 A P T 4 S+ 0 0 72 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.807 84.3 36.2 -53.7 -35.6 -1.9 -11.7 3.0 38 38 A S T >> S+ 0 0 78 2,-0.1 3,-2.4 -3,-0.1 4,-1.2 0.965 115.9 49.1 -79.3 -66.9 -1.3 -13.9 -0.1 39 39 A L T 34 S+ 0 0 92 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.767 98.7 69.0 -47.4 -37.0 -0.8 -11.3 -2.9 40 40 A L T 3< S+ 0 0 17 -4,-2.5 -1,-0.3 -8,-0.2 3,-0.2 0.816 106.7 40.8 -55.5 -30.8 1.7 -9.3 -0.8 41 41 A K T X4 S+ 0 0 135 -3,-2.4 3,-2.3 -4,-0.3 2,-2.3 0.972 74.0 141.8 -77.3 -62.8 4.1 -12.2 -1.2 42 42 A G T 3< S- 0 0 76 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 -0.338 92.6 -46.9 59.3 -73.9 3.3 -13.0 -4.9 43 43 A G T 3 S+ 0 0 72 -2,-2.3 2,-0.3 -3,-0.2 -1,-0.3 0.012 119.9 74.5-179.3 39.4 7.0 -13.8 -5.8 44 44 A S S < S- 0 0 68 -3,-2.3 2,-0.1 -4,-0.1 -1,-0.1 -0.975 75.4-102.0-156.0 162.3 8.9 -10.9 -4.2 45 45 A T > - 0 0 70 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.417 35.7-108.7 -84.6 165.1 10.1 -9.6 -0.8 46 46 A L H > S+ 0 0 40 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.908 123.1 51.9 -56.5 -43.1 8.5 -6.8 1.2 47 47 A D H > S+ 0 0 76 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.962 110.9 45.3 -59.2 -54.9 11.6 -4.7 0.3 48 48 A E H > S+ 0 0 101 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.935 116.6 45.7 -55.0 -51.0 11.3 -5.4 -3.4 49 49 A L H X S+ 0 0 17 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.953 113.5 49.6 -57.5 -51.9 7.6 -4.7 -3.3 50 50 A F H X S+ 0 0 23 -4,-3.2 4,-3.2 -5,-0.2 -2,-0.2 0.926 113.4 46.2 -52.2 -51.4 8.1 -1.5 -1.3 51 51 A E H < S+ 0 0 117 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.926 111.6 52.0 -58.4 -48.3 10.8 -0.3 -3.7 52 52 A E H < S+ 0 0 86 -4,-2.9 3,-0.4 -5,-0.2 -1,-0.2 0.897 117.3 39.2 -55.5 -45.2 8.6 -1.2 -6.7 53 53 A L H < S+ 0 0 0 -4,-2.7 2,-2.4 1,-0.2 3,-0.3 0.979 112.1 54.3 -70.6 -59.2 5.7 0.8 -5.2 54 54 A D >< + 0 0 4 -4,-3.2 3,-2.0 1,-0.2 -1,-0.2 -0.360 63.5 155.6 -77.1 62.8 7.7 3.8 -3.8 55 55 A K T 3 S+ 0 0 165 -2,-2.4 -1,-0.2 -3,-0.4 -2,-0.1 0.859 71.5 62.5 -54.6 -38.0 9.4 4.5 -7.2 56 56 A N T 3 S- 0 0 119 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.669 99.7-143.4 -61.8 -20.9 9.8 8.1 -5.8 57 57 A G < + 0 0 60 -3,-2.0 -2,-0.1 -6,-0.2 -1,-0.1 0.785 54.8 137.2 58.9 32.7 12.1 6.6 -3.0 58 58 A D S S- 0 0 65 2,-0.4 3,-0.1 1,-0.0 -1,-0.1 0.752 78.7-100.4 -78.2 -24.6 10.7 9.1 -0.4 59 59 A G S S+ 0 0 35 1,-0.4 -34,-0.7 -5,-0.1 2,-0.3 0.111 96.4 60.4 124.5 -16.8 10.4 6.4 2.3 60 60 A E E S-B 24 0A 40 -36,-0.2 2,-0.8 -35,-0.1 -2,-0.4 -0.922 82.5-112.2-135.7 161.3 6.7 5.7 2.0 61 61 A V E -B 23 0A 0 -38,-3.0 -38,-2.8 -2,-0.3 -7,-0.1 -0.861 39.2-148.4 -94.3 107.8 4.1 4.5 -0.5 62 62 A S E > -B 22 0A 12 -2,-0.8 4,-3.1 -40,-0.3 -40,-0.2 -0.276 28.9-104.3 -69.8 163.4 2.0 7.6 -1.2 63 63 A F H > S+ 0 0 45 -42,-2.0 4,-0.7 2,-0.2 -1,-0.1 0.892 127.2 52.4 -55.7 -35.8 -1.7 7.1 -2.2 64 64 A E H >4 S+ 0 0 151 -43,-0.2 3,-1.7 2,-0.2 4,-0.4 0.979 110.9 43.8 -61.4 -57.4 -0.5 7.9 -5.7 65 65 A E H >> S+ 0 0 19 1,-0.3 3,-2.4 2,-0.2 4,-0.6 0.884 104.0 67.6 -56.1 -38.9 2.2 5.3 -5.6 66 66 A F H 3X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.3 3,-0.4 0.753 80.9 76.3 -54.4 -26.3 -0.3 2.9 -4.1 67 67 A Q H S+ 0 0 45 -3,-2.4 4,-2.8 -4,-0.4 -1,-0.3 0.929 106.9 47.0 -64.7 -43.0 0.6 0.6 -8.6 69 69 A L H X S+ 0 0 6 -4,-0.6 4,-2.9 -3,-0.4 5,-0.3 0.956 111.8 50.6 -61.3 -50.4 -0.4 -1.8 -5.7 70 70 A V H X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.931 111.5 48.4 -51.6 -50.9 -4.1 -1.5 -6.7 71 71 A K H X S+ 0 0 134 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.933 111.6 49.9 -56.8 -49.7 -3.2 -2.3 -10.3 72 72 A K H < S+ 0 0 102 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.953 113.8 43.4 -56.4 -54.7 -1.1 -5.3 -9.3 73 73 A I H < S+ 0 0 41 -4,-2.9 -1,-0.2 2,-0.3 -2,-0.2 0.896 113.4 52.5 -60.8 -39.1 -3.9 -6.8 -7.0 74 74 A S H < 0 0 87 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.926 360.0 360.0 -60.1 -43.8 -6.5 -6.0 -9.7 75 75 A Q < 0 0 167 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.3 0.542 360.0 360.0 -84.0 360.0 -4.3 -7.9 -12.2