==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 30-JUL-03 1Q3M . COMPND 2 MOLECULE: OSTEOCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.L.DOWD,J.F.ROSEN,L.LI,C.M.GUNDBERG . 34 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 64.7 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 . 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 . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 2 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 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 16 A L 0 0 101 0, 0.0 33,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.7 -3.2 5.2 7.5 2 17 A X - 0 0 193 1,-0.1 2,-0.8 0, 0.0 3,-0.2 -0.632 360.0 -58.8-112.4 171.3 -4.2 8.5 5.9 3 18 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.308 77.1 134.9 -54.0 95.7 -5.2 9.6 2.3 4 19 A K > + 0 0 75 -2,-0.8 3,-1.2 2,-0.1 4,-0.5 0.648 53.9 70.7-116.0 -30.7 -2.1 8.4 0.5 5 20 A R T 3> S+ 0 0 68 1,-0.2 4,-1.5 -3,-0.2 9,-0.0 0.506 71.6 95.4 -69.1 -2.3 -3.5 6.6 -2.6 6 21 A X T 34 S+ 0 0 160 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.888 90.4 42.0 -54.6 -39.3 -4.6 10.0 -3.9 7 22 A V T X> S+ 0 0 80 -3,-1.2 4,-1.8 1,-0.2 3,-1.3 0.832 102.8 68.7 -75.3 -34.7 -1.4 10.0 -6.0 8 23 A a T 34 S+ 0 0 6 -4,-0.5 7,-0.4 1,-0.3 6,-0.2 0.852 91.3 61.3 -52.2 -39.4 -1.8 6.3 -6.9 9 24 A X T 3< S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.835 106.4 46.6 -58.3 -34.2 -4.8 7.2 -9.1 10 25 A L T <4 S+ 0 0 133 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.942 103.3 65.9 -74.1 -50.5 -2.5 9.4 -11.2 11 26 A N S >X S- 0 0 34 -4,-1.8 4,-1.6 1,-0.1 3,-0.6 -0.643 72.5-151.1 -79.0 118.5 0.4 6.8 -11.6 12 27 A P H 3> S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.682 82.9 85.9 -60.9 -18.7 -0.8 3.8 -13.7 13 28 A D H 34 S+ 0 0 132 1,-0.2 3,-0.1 2,-0.2 -5,-0.1 0.944 113.9 6.9 -47.2 -62.3 1.7 1.6 -11.8 14 29 A a H X4 S+ 0 0 3 -3,-0.6 3,-1.7 -6,-0.2 4,-0.4 0.594 116.6 81.0 -98.3 -14.7 -0.7 0.9 -8.8 15 30 A D H >< S+ 0 0 52 -4,-1.6 3,-1.1 -7,-0.4 4,-0.4 0.831 81.5 67.6 -59.4 -32.2 -3.7 2.6 -10.4 16 31 A E T >X S+ 0 0 132 -4,-1.6 3,-1.4 1,-0.2 4,-0.6 0.732 83.7 75.4 -59.9 -22.9 -4.2 -0.6 -12.4 17 32 A L H X>>S+ 0 0 15 -3,-1.7 4,-2.8 1,-0.3 5,-1.8 0.903 87.0 58.3 -56.2 -45.0 -5.1 -2.3 -9.1 18 33 A A H <45S+ 0 0 62 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.684 93.4 71.4 -59.8 -19.2 -8.5 -0.7 -9.0 19 34 A D H <45S+ 0 0 125 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.879 119.5 10.0 -66.6 -40.8 -9.2 -2.4 -12.4 20 35 A H H <<5S- 0 0 137 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.1 0.622 149.3 -13.5-114.5 -19.7 -9.5 -5.9 -10.9 21 36 A I T <5 - 0 0 65 -4,-2.8 -3,-0.3 -5,-0.2 -4,-0.1 0.440 63.6-158.0-146.5 -55.3 -9.6 -5.3 -7.1 22 37 A G < + 0 0 41 -5,-1.8 -4,-0.1 -8,-0.1 -7,-0.0 0.998 45.4 125.1 62.0 72.3 -8.6 -1.8 -5.9 23 38 A F S S- 0 0 138 11,-0.1 -5,-0.0 0, 0.0 -6,-0.0 0.657 76.2 -88.2-120.0 -73.0 -7.5 -2.4 -2.3 24 39 A Q S >> S+ 0 0 65 -7,-0.0 4,-2.3 -10,-0.0 3,-0.9 0.215 93.3 101.9-179.6 -31.5 -4.0 -1.2 -1.4 25 40 A E H 3> S+ 0 0 90 1,-0.3 4,-1.1 2,-0.2 7,-0.1 0.834 86.2 53.6 -38.9 -47.6 -1.5 -4.0 -2.0 26 41 A A H >> S+ 0 0 7 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.915 110.2 45.9 -57.5 -46.4 -0.4 -2.3 -5.3 27 42 A Y H X4 S+ 0 0 8 -3,-0.9 3,-1.0 1,-0.2 4,-0.4 0.866 107.5 58.3 -65.0 -37.0 0.3 1.0 -3.4 28 43 A R H >< S+ 0 0 137 -4,-2.3 3,-0.5 6,-0.3 -1,-0.2 0.732 90.3 74.5 -64.7 -23.5 2.2 -0.9 -0.7 29 44 A R H << S+ 0 0 182 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.843 112.0 23.4 -59.0 -36.7 4.6 -2.3 -3.4 30 45 A F T << S+ 0 0 88 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.239 142.4 20.3-115.4 12.6 6.3 1.1 -3.7 31 46 A Y S < S- 0 0 130 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.419 76.3-147.3-138.1 -72.2 5.4 2.5 -0.2 32 47 A G S S+ 0 0 27 -5,-0.3 2,-2.2 2,-0.2 -4,-0.1 -0.529 72.8 84.7 129.6 -68.0 4.4 -0.0 2.5 33 48 A P 0 0 74 0, 0.0 -29,-0.1 0, 0.0 -6,-0.0 -0.448 360.0 360.0 -72.8 75.9 1.8 1.6 4.8 34 49 A V 0 0 29 -2,-2.2 -6,-0.3 -33,-0.1 -2,-0.2 -0.418 360.0 360.0 64.2 360.0 -1.2 0.9 2.7