==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 04-AUG-95 1CDN . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.AKKE,S.FORSEN,W.J.CHAZIN . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 73.3 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 . 3 4.0 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 . 3 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 50.7 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+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 1 0 0 1 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 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 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 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 -8.9 -9.1 -3.7 2 2 A S > - 0 0 39 1,-0.1 4,-3.0 4,-0.0 3,-0.3 -0.321 360.0-106.3 -63.7 154.9 -11.6 -7.5 -6.0 3 3 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.860 125.5 55.1 -44.2 -40.4 -10.8 -4.1 -7.6 4 4 A E H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.924 108.6 44.7 -60.4 -48.7 -13.3 -2.8 -5.0 5 5 A E H > S+ 0 0 111 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.937 112.7 52.6 -62.2 -44.4 -11.4 -4.3 -2.1 6 6 A L H X S+ 0 0 4 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.855 108.7 50.1 -60.5 -38.0 -8.1 -3.0 -3.6 7 7 A K H X S+ 0 0 77 -4,-2.3 4,-3.2 -5,-0.3 -1,-0.2 0.948 109.7 50.9 -60.6 -49.7 -9.7 0.5 -3.8 8 8 A G H X S+ 0 0 36 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.931 114.2 44.4 -50.8 -50.1 -10.7 0.1 -0.1 9 9 A I H X S+ 0 0 23 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.952 111.8 52.1 -59.0 -54.8 -7.0 -0.8 0.6 10 10 A F H X S+ 0 0 2 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.938 113.7 44.6 -47.7 -52.8 -5.7 2.0 -1.6 11 11 A E H X S+ 0 0 94 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.931 111.3 54.3 -60.0 -51.2 -7.9 4.5 0.3 12 12 A K H X S+ 0 0 92 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.936 116.8 35.3 -44.3 -59.9 -6.9 2.9 3.7 13 13 A Y H X S+ 0 0 5 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.903 119.3 49.1 -75.4 -38.7 -3.2 3.3 3.2 14 14 A A H >X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 3,-1.5 0.987 114.5 45.4 -57.2 -58.8 -3.3 6.6 1.2 15 15 A A H 3< S+ 0 0 55 -4,-2.9 -1,-0.2 5,-0.3 -2,-0.2 0.810 100.3 70.1 -55.0 -35.9 -5.6 8.2 3.8 16 16 A K H 3< S+ 0 0 123 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.851 110.5 33.3 -55.1 -36.8 -3.3 6.8 6.6 17 17 A E H << S- 0 0 100 -3,-1.5 -2,-0.2 -4,-1.0 -1,-0.2 0.922 123.5-109.6 -76.1 -54.5 -0.7 9.3 5.4 18 18 A G S < S+ 0 0 47 -4,-2.5 -3,-0.1 1,-0.5 -4,-0.1 -0.254 89.1 100.1 157.1 -54.2 -3.3 11.8 4.5 19 19 A D - 0 0 64 -5,-0.2 -1,-0.5 1,-0.2 -2,-0.3 -0.458 52.3-166.3 -58.6 119.8 -3.5 12.1 0.7 20 20 A P S S+ 0 0 69 0, 0.0 -5,-0.3 0, 0.0 -6,-0.2 0.768 80.2 42.0 -80.6 -28.9 -6.5 10.0 -0.2 21 21 A N S S+ 0 0 116 -7,-0.1 42,-0.9 1,-0.1 2,-0.4 0.572 111.4 50.6 -97.7 -15.1 -5.9 9.7 -4.0 22 22 A Q E -A 62 0A 30 40,-0.2 2,-0.5 41,-0.1 40,-0.2 -0.997 66.0-146.3-138.7 127.2 -2.1 9.1 -4.2 23 23 A L E -A 61 0A 0 38,-2.9 38,-2.8 -2,-0.4 2,-0.1 -0.825 10.5-152.7 -95.1 129.3 0.2 6.6 -2.4 24 24 A S > - 0 0 13 -2,-0.5 4,-2.6 36,-0.2 5,-0.2 -0.332 42.1 -91.3 -79.2 176.0 3.8 7.5 -1.4 25 25 A K H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.861 127.3 53.3 -54.2 -38.8 6.4 4.7 -1.1 26 26 A E H > S+ 0 0 102 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 107.6 47.5 -71.4 -47.4 5.5 4.4 2.6 27 27 A E H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.948 115.4 48.0 -54.0 -49.0 1.8 3.9 2.1 28 28 A L H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.909 110.3 52.0 -57.0 -43.5 2.8 1.3 -0.6 29 29 A K H X S+ 0 0 80 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.939 114.1 41.3 -61.7 -47.9 5.2 -0.3 1.7 30 30 A L H X S+ 0 0 69 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.925 116.2 51.0 -65.6 -43.8 2.7 -0.8 4.5 31 31 A L H X>S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.3 5,-0.5 0.963 115.5 41.8 -50.7 -58.7 0.0 -1.8 1.9 32 32 A L H X5S+ 0 0 1 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.951 113.0 53.6 -58.9 -52.7 2.3 -4.4 0.4 33 33 A Q H <5S+ 0 0 111 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.876 118.8 35.5 -49.5 -45.6 3.6 -5.5 3.8 34 34 A T H <5S+ 0 0 72 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.953 133.9 20.8 -74.1 -54.7 0.0 -6.1 5.0 35 35 A E H <5S+ 0 0 55 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.781 140.0 13.8 -92.0 -33.4 -1.8 -7.4 1.9 36 36 A F >X< + 0 0 27 -4,-2.5 3,-0.8 -5,-0.5 4,-0.5 -0.493 61.1 169.3-147.4 64.9 1.1 -8.6 -0.4 37 37 A P G >4 S+ 0 0 79 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.777 78.2 60.8 -60.8 -27.3 4.4 -9.0 1.6 38 38 A S G >> S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 3,-2.8 0.941 93.0 63.9 -56.7 -53.2 5.9 -10.9 -1.4 39 39 A L G <4 S+ 0 0 30 -3,-0.8 5,-0.4 1,-0.3 -1,-0.2 0.611 79.6 80.4 -59.2 -17.5 5.5 -8.0 -3.8 40 40 A L G << S+ 0 0 42 -3,-0.7 6,-2.4 -4,-0.5 -1,-0.3 0.844 123.9 5.8 -49.4 -36.5 7.9 -5.8 -1.7 41 41 A K T <4 S+ 0 0 163 -3,-2.8 -2,-0.3 -4,-0.3 -1,-0.1 0.664 113.6 98.9-109.6 -47.3 10.5 -7.9 -3.6 42 42 A G S < S- 0 0 30 -4,-2.9 2,-2.1 1,-0.2 0, 0.0 -0.176 98.4 -0.4 -58.0 138.0 8.4 -9.9 -6.1 43 43 A G S S- 0 0 78 29,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.314 144.2 -3.7 78.6 -55.1 8.1 -8.5 -9.7 44 44 A S S S- 0 0 33 -2,-2.1 2,-0.1 -5,-0.4 6,-0.0 -0.926 85.6 -95.0-160.3 145.0 10.3 -5.6 -8.7 45 45 A T >> - 0 0 81 -2,-0.3 4,-2.9 1,-0.1 3,-1.2 -0.405 52.2-101.1 -59.7 143.0 12.0 -4.4 -5.5 46 46 A L H 3> S+ 0 0 23 -6,-2.4 4,-3.1 1,-0.3 5,-0.1 0.725 120.8 50.0 -39.3 -49.2 9.7 -1.7 -3.8 47 47 A D H 3> S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.915 117.5 39.2 -64.1 -43.4 11.7 1.2 -5.0 48 48 A E H <> S+ 0 0 112 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.910 113.9 55.9 -71.1 -42.2 11.8 0.1 -8.6 49 49 A L H X S+ 0 0 7 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.930 104.2 54.8 -54.0 -47.6 8.2 -1.1 -8.3 50 50 A F H X S+ 0 0 12 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.936 110.0 45.2 -51.7 -53.7 7.2 2.4 -7.2 51 51 A E H < S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.932 113.4 50.5 -56.1 -49.1 8.8 3.9 -10.4 52 52 A E H < S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.7 43.2 -57.7 -41.0 7.2 1.2 -12.5 53 53 A L H < S+ 0 0 2 -4,-2.9 2,-2.7 1,-0.2 3,-0.3 0.880 97.9 76.6 -71.4 -41.1 3.7 1.9 -11.0 54 54 A D >< + 0 0 10 -4,-2.8 3,-2.0 -5,-0.3 -1,-0.2 -0.268 54.6 155.2 -70.1 57.2 4.2 5.7 -11.1 55 55 A K T 3 + 0 0 145 -2,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.834 68.6 61.0 -56.3 -36.3 3.5 5.8 -14.9 56 56 A N T 3 S- 0 0 98 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.646 103.3-136.8 -69.8 -15.4 2.4 9.5 -14.6 57 57 A G S < S+ 0 0 57 -3,-2.0 -2,-0.1 -6,-0.2 -1,-0.1 0.596 71.4 116.1 75.0 15.0 5.9 10.3 -13.4 58 58 A D S S- 0 0 89 2,-0.3 2,-0.1 1,-0.1 3,-0.1 0.839 83.9-115.5 -77.0 -34.2 5.0 12.6 -10.5 59 59 A G S S+ 0 0 18 1,-0.5 -5,-0.2 -9,-0.1 -2,-0.1 -0.623 88.3 78.8 133.9 -67.8 6.5 10.2 -8.0 60 60 A E S S- 0 0 59 -2,-0.1 2,-0.5 1,-0.1 -1,-0.5 -0.345 81.9-114.9 -78.2 155.1 3.5 9.0 -5.9 61 61 A V E -A 23 0A 0 -38,-2.8 -38,-2.9 -3,-0.1 -7,-0.1 -0.797 20.9-151.6-103.9 120.9 1.1 6.4 -7.3 62 62 A S E > -A 22 0A 23 -2,-0.5 4,-2.8 -40,-0.2 -40,-0.2 -0.389 33.1-107.3 -77.5 163.7 -2.6 7.1 -8.1 63 63 A F H > S+ 0 0 31 -42,-0.9 4,-0.7 2,-0.2 -1,-0.1 0.837 119.5 54.4 -59.4 -33.0 -5.3 4.4 -8.0 64 64 A E H >4 S+ 0 0 137 2,-0.2 3,-1.7 1,-0.2 4,-0.2 0.991 113.6 36.8 -67.0 -59.1 -5.4 4.4 -11.8 65 65 A E H >4 S+ 0 0 16 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.867 106.0 70.6 -66.9 -29.6 -1.7 3.8 -12.4 66 66 A F H >X S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 4,-1.0 0.786 79.0 79.2 -50.6 -28.5 -1.7 1.5 -9.3 67 67 A Q H S+ 0 0 41 -3,-2.6 4,-2.5 -4,-0.2 -1,-0.3 0.868 96.1 50.4 -55.3 -32.4 -0.3 -1.7 -13.1 69 69 A L H <> S+ 0 0 2 -3,-2.3 4,-2.8 -4,-0.3 -2,-0.2 0.959 108.9 49.1 -71.3 -47.7 0.2 -3.6 -9.9 70 70 A V H X S+ 0 0 22 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.891 110.1 52.7 -59.6 -39.6 -3.1 -5.4 -10.2 71 71 A K H X S+ 0 0 128 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.972 109.0 48.8 -55.2 -56.6 -2.1 -6.2 -13.8 72 72 A K H < S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.4 50.1 -50.4 -45.5 1.2 -7.7 -12.5 73 73 A I H < S+ 0 0 69 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.951 108.9 51.7 -56.8 -50.6 -0.9 -9.7 -9.9 74 74 A S H < 0 0 90 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.887 360.0 360.0 -56.1 -42.2 -3.1 -10.9 -12.8 75 75 A Q < 0 0 165 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.537 360.0 360.0 -64.0 360.0 0.0 -12.0 -14.6