==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-NOV-01 1KCY . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.R.NELSON,E.THULIN,P.A.FAGAN,S.FORSEN,W.J.CHAZIN . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 82.7 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 . 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 . 3 4.0 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 . 44 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 2 0 0 2 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 0 158 0, 0.0 4,-2.7 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -80.9 1.9 -1.0 -0.1 2 2 A S H 3> + 0 0 31 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.829 360.0 51.9 -43.6 -50.3 0.7 -2.7 -3.3 3 3 A P H 3> S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.918 115.8 41.8 -49.1 -49.2 -0.8 0.6 -4.7 4 4 A E H <> S+ 0 0 130 -3,-0.9 4,-3.2 2,-0.2 -2,-0.2 0.922 117.1 45.9 -69.4 -47.7 2.6 2.4 -4.1 5 5 A E H X S+ 0 0 56 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.970 116.4 45.4 -60.1 -55.1 4.8 -0.5 -5.3 6 6 A L H X S+ 0 0 5 -4,-3.0 4,-3.0 -5,-0.2 -2,-0.2 0.950 117.3 45.2 -51.0 -56.4 2.6 -1.1 -8.4 7 7 A K H X S+ 0 0 85 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.926 109.2 54.4 -56.9 -52.3 2.5 2.7 -9.2 8 8 A G H X S+ 0 0 22 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.909 117.1 37.5 -49.1 -49.3 6.2 3.3 -8.6 9 9 A I H X S+ 0 0 28 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.906 113.0 59.7 -66.8 -43.1 7.1 0.6 -11.1 10 10 A F H X S+ 0 0 2 -4,-3.0 4,-3.4 -5,-0.3 5,-0.3 0.897 101.0 53.2 -56.6 -47.8 4.1 1.6 -13.4 11 11 A E H X S+ 0 0 102 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.935 111.9 45.7 -52.6 -50.6 5.4 5.1 -13.8 12 12 A K H X S+ 0 0 144 -4,-1.1 4,-0.7 -5,-0.2 -2,-0.2 0.923 118.8 40.5 -60.8 -48.7 8.8 3.8 -15.0 13 13 A Y H >X S+ 0 0 46 -4,-2.6 3,-1.7 1,-0.2 4,-0.7 0.958 113.3 53.8 -67.4 -48.6 7.4 1.2 -17.3 14 14 A A H >< S+ 0 0 0 -4,-3.4 3,-0.9 1,-0.3 -2,-0.2 0.835 95.4 69.3 -55.6 -36.3 4.6 3.5 -18.6 15 15 A A H >< S+ 0 0 60 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.3 0.865 92.5 59.2 -50.1 -37.2 7.3 6.1 -19.5 16 16 A K H << S+ 0 0 151 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.895 105.1 48.9 -56.9 -40.4 8.3 3.6 -22.3 17 17 A E T << S- 0 0 70 -3,-0.9 2,-2.4 -4,-0.7 -1,-0.3 0.077 115.2-124.3 -87.4 21.8 4.8 4.0 -23.6 18 18 A G S < S+ 0 0 57 -3,-2.0 -1,-0.1 2,-0.1 -2,-0.1 -0.401 91.1 78.1 75.4 -71.7 5.2 7.8 -23.4 19 19 A D S > S- 0 0 72 -2,-2.4 3,-2.3 1,-0.2 -2,-0.1 -0.641 70.8-151.7 -77.1 113.6 2.1 8.6 -21.2 20 20 A P T 3 S+ 0 0 69 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 0.646 95.4 58.6 -62.3 -14.8 3.1 7.7 -17.6 21 21 A N T 3 S+ 0 0 77 -7,-0.1 42,-2.7 41,-0.1 2,-0.4 0.659 99.1 69.2 -82.9 -18.9 -0.6 7.0 -16.9 22 22 A Q E < +A 62 0A 54 -3,-2.3 -5,-0.3 40,-0.2 40,-0.2 -0.897 52.8 160.0-113.4 129.3 -0.8 4.3 -19.6 23 23 A L E -A 61 0A 0 38,-2.7 38,-3.1 -2,-0.4 2,-0.3 -0.736 25.9-133.5-126.9 177.5 0.8 0.8 -19.6 24 24 A S E >> -A 60 0A 14 36,-0.3 4,-2.6 -2,-0.2 3,-1.7 -0.977 30.7 -97.3-137.5 153.3 -0.0 -2.4 -21.6 25 25 A K H 3> S+ 0 0 2 34,-2.7 4,-3.1 -2,-0.3 5,-0.3 0.728 117.4 61.8 -26.3 -54.5 -0.4 -6.1 -20.8 26 26 A E H 3> S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.890 117.8 28.6 -49.2 -49.7 3.1 -6.9 -21.9 27 27 A E H <> S+ 0 0 46 -3,-1.7 4,-2.8 2,-0.2 3,-0.4 0.905 114.8 65.2 -78.5 -46.4 4.6 -4.7 -19.2 28 28 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 -2,-0.2 0.868 99.6 51.5 -39.4 -54.1 1.6 -5.1 -16.8 29 29 A K H X S+ 0 0 40 -4,-3.1 4,-2.8 2,-0.2 -1,-0.3 0.914 111.7 46.5 -55.2 -46.4 2.4 -8.8 -16.4 30 30 A L H X S+ 0 0 84 -4,-0.8 4,-2.5 -3,-0.4 -2,-0.2 0.966 113.8 49.2 -61.4 -49.0 6.0 -8.0 -15.5 31 31 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.889 113.9 44.9 -56.0 -46.4 4.8 -5.3 -13.1 32 32 A L H >< S+ 0 0 0 -4,-3.1 3,-1.8 -5,-0.2 4,-0.5 0.981 111.0 52.4 -62.0 -56.7 2.3 -7.6 -11.4 33 33 A Q H >< S+ 0 0 78 -4,-2.8 3,-2.4 1,-0.3 10,-0.4 0.838 97.2 69.5 -50.9 -38.6 4.7 -10.5 -11.1 34 34 A T H 3X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.3 -1,-0.3 0.842 88.4 62.6 -48.2 -41.1 7.2 -8.1 -9.4 35 35 A E H S+ 0 0 1 -3,-1.8 4,-2.8 -4,-0.8 6,-2.2 0.744 94.6 66.1 -61.0 -20.4 4.9 -8.0 -6.4 36 36 A G H <>5S+ 0 0 14 -3,-2.4 4,-2.6 -4,-0.5 -2,-0.2 0.998 109.7 32.1 -55.7 -76.7 5.6 -11.8 -6.1 37 37 A P H 45S+ 0 0 120 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.818 126.5 47.4 -46.8 -36.6 9.3 -11.3 -5.3 38 38 A S H <5S- 0 0 67 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.928 140.9 -12.6 -78.5 -48.4 8.6 -8.0 -3.5 39 39 A L H <5S- 0 0 70 -4,-2.8 -3,-0.2 -5,-0.2 -4,-0.1 0.260 87.2-107.4-138.3 3.3 5.6 -8.9 -1.2 40 40 A L S <S+ 0 0 1 -7,-0.2 2,-2.4 -9,-0.2 5,-0.8 0.680 80.9 49.8-112.1 -85.7 1.9 -10.5 -7.6 43 43 A M T 5S+ 0 0 134 -10,-0.4 2,-0.1 3,-0.1 -1,-0.1 -0.375 96.6 66.2 -76.3 75.1 1.3 -13.7 -9.5 44 44 A S T >5S- 0 0 52 -2,-2.4 4,-2.9 -3,-0.1 5,-0.2 -0.346 108.5 -5.7-145.1-121.9 -2.1 -14.8 -8.3 45 45 A T H >5S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.879 131.3 55.0 -47.2 -52.2 -5.6 -13.2 -8.7 46 46 A L H >5S+ 0 0 14 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.934 114.0 36.6 -48.1 -63.7 -4.1 -10.1 -10.4 47 47 A D H >S+ 0 0 49 -4,-2.9 5,-2.6 1,-0.2 4,-2.4 0.871 111.3 52.5 -59.3 -37.8 -8.4 -9.6 -20.0 54 54 A D H <5S+ 0 0 68 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.895 109.5 48.4 -61.6 -42.6 -5.4 -10.4 -22.3 55 55 A K H <5S+ 0 0 167 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.6 48.3 -67.4 -40.3 -7.3 -13.3 -23.9 56 56 A N H <5S- 0 0 142 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 121.1-121.3 -61.3 -41.0 -10.3 -11.0 -24.4 57 57 A G T <5 + 0 0 52 -4,-2.4 -3,-0.2 -5,-0.2 3,-0.2 0.786 60.0 151.2 105.7 42.9 -7.7 -8.6 -25.8 58 58 A D < + 0 0 77 -5,-2.6 2,-2.4 1,-0.2 -4,-0.1 0.944 19.5 167.6 -62.7 -49.9 -7.8 -5.4 -23.7 59 59 A G + 0 0 22 -6,-0.2 -34,-2.7 -35,-0.0 2,-0.4 -0.379 50.3 64.6 79.5 -66.0 -4.1 -4.8 -24.4 60 60 A E E -A 24 0A 143 -2,-2.4 2,-0.4 -36,-0.2 -36,-0.3 -0.770 63.8-174.9 -99.0 134.2 -3.8 -1.2 -23.1 61 61 A V E -A 23 0A 2 -38,-3.1 -38,-2.7 -2,-0.4 2,-0.2 -0.966 15.7-146.9-139.0 118.7 -4.4 -0.5 -19.4 62 62 A S E > -A 22 0A 15 -2,-0.4 4,-3.0 -40,-0.2 -40,-0.2 -0.502 30.8-114.8 -72.7 150.8 -4.5 2.9 -17.6 63 63 A F H > S+ 0 0 5 -42,-2.7 4,-3.2 2,-0.2 5,-0.2 0.902 114.8 48.7 -52.2 -48.7 -3.1 3.0 -14.0 64 64 A E H > S+ 0 0 83 2,-0.2 4,-2.9 -43,-0.2 5,-0.3 0.977 114.7 42.7 -60.0 -61.3 -6.6 3.8 -12.5 65 65 A E H > S+ 0 0 96 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 116.9 49.8 -46.3 -55.1 -8.5 1.1 -14.4 66 66 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.950 112.9 45.6 -48.7 -60.5 -5.6 -1.4 -13.7 67 67 A Q H X S+ 0 0 45 -4,-3.2 4,-2.2 1,-0.2 5,-0.3 0.911 115.6 44.7 -53.7 -54.9 -5.5 -0.6 -9.9 68 68 A V H X S+ 0 0 54 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.945 114.3 50.3 -60.8 -46.7 -9.3 -0.7 -9.4 69 69 A L H X S+ 0 0 64 -4,-3.0 4,-3.0 -5,-0.3 5,-0.3 0.957 111.6 46.4 -54.0 -58.8 -9.6 -3.9 -11.4 70 70 A V H X S+ 0 0 6 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.914 118.2 40.3 -56.8 -48.9 -6.9 -5.8 -9.6 71 71 A K H X S+ 0 0 91 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.907 115.8 51.4 -69.3 -39.2 -8.0 -4.9 -6.1 72 72 A K H < S+ 0 0 125 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.933 112.5 44.7 -62.5 -47.0 -11.7 -5.3 -6.9 73 73 A I H < S+ 0 0 65 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.822 115.8 49.5 -67.9 -28.8 -11.3 -8.8 -8.4 74 74 A S H < 0 0 50 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.907 360.0 360.0 -73.9 -45.4 -9.0 -9.8 -5.4 75 75 A Q < 0 0 191 -4,-2.6 0, 0.0 -5,-0.1 0, 0.0 -0.384 360.0 360.0 -72.2 360.0 -11.3 -8.6 -2.6