==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-AUG-03 1Q8H . COMPND 2 MOLECULE: OSTEOCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Q.Q.HOANG,F.SICHERI,A.J.HOWARD,D.S.YANG . 37 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 78.4 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 . 1 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 2 1 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 13 A P 0 0 177 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 9.7 29.0 43.9 2 14 A D > - 0 0 64 1,-0.1 3,-1.8 2,-0.0 0, 0.0 -0.757 360.0-156.6 -88.1 114.3 9.7 29.4 40.1 3 15 A P T 3 S+ 0 0 120 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.686 91.2 62.7 -61.2 -18.1 6.2 30.4 38.9 4 16 A L T 3> S+ 0 0 42 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.524 72.4 96.0 -86.0 -7.8 7.1 29.0 35.4 5 17 A X H <> S+ 0 0 104 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.891 80.7 55.4 -51.1 -46.2 7.5 25.4 36.7 6 18 A P H > S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.941 112.3 42.0 -55.6 -45.9 3.9 24.5 35.7 7 19 A R H > S+ 0 0 133 -3,-0.3 4,-2.5 -4,-0.3 -2,-0.2 0.871 111.2 56.3 -67.9 -36.3 4.5 25.6 32.1 8 20 A R H X S+ 0 0 96 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 107.6 49.0 -61.1 -40.9 7.9 23.9 32.1 9 21 A X H X S+ 0 0 129 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.900 108.6 53.4 -66.0 -39.7 6.3 20.6 33.0 10 22 A V H X S+ 0 0 61 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.949 111.3 45.9 -58.4 -49.1 3.7 21.0 30.3 11 23 A a H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 7,-0.7 0.908 109.1 53.9 -61.1 -45.4 6.4 21.6 27.7 12 24 A X H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.882 103.9 58.1 -56.8 -39.0 8.5 18.6 28.9 13 25 A L H 3< S+ 0 0 152 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.815 96.7 68.8 -60.9 -33.0 5.4 16.5 28.5 14 26 A N S XX S- 0 0 36 -4,-1.0 4,-3.7 -3,-0.8 3,-0.9 -0.788 74.0-156.7 -91.3 103.3 5.3 17.4 24.8 15 27 A P H 3> S+ 0 0 90 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.888 94.9 52.8 -44.5 -45.8 8.3 15.8 23.1 16 28 A D H 3> S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.871 114.6 40.1 -60.0 -39.7 8.1 18.4 20.4 17 29 A a H <> S+ 0 0 0 -3,-0.9 4,-2.6 -6,-0.3 -1,-0.2 0.887 115.2 53.9 -75.8 -39.1 8.2 21.2 22.9 18 30 A D H X S+ 0 0 49 -4,-3.7 4,-1.1 -7,-0.7 -2,-0.2 0.970 112.3 42.1 -57.1 -58.0 10.8 19.4 25.0 19 31 A E H >< S+ 0 0 103 -4,-3.4 3,-1.1 1,-0.2 4,-0.4 0.943 115.3 49.8 -54.6 -52.7 13.2 19.0 22.1 20 32 A L H >X>S+ 0 0 46 -4,-1.8 3,-2.0 -5,-0.3 4,-1.9 0.859 100.8 65.7 -56.5 -38.0 12.6 22.5 20.8 21 33 A A H 3X5S+ 0 0 14 -4,-2.6 4,-1.5 1,-0.3 -1,-0.3 0.839 91.6 62.4 -54.0 -37.6 13.2 23.9 24.3 22 34 A D H <<5S+ 0 0 121 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.686 112.6 37.0 -63.4 -17.2 16.9 22.7 24.3 23 35 A H H <45S+ 0 0 142 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.885 134.3 12.5-102.6 -54.7 17.5 25.0 21.3 24 36 A I H <5S- 0 0 99 -4,-1.9 4,-0.3 1,-0.3 -3,-0.2 0.382 111.5-103.4-106.8 3.6 15.5 28.3 21.7 25 37 A G X< - 0 0 29 -4,-1.5 4,-1.1 -5,-0.5 -1,-0.3 -0.186 29.6 -82.3 98.8 165.8 14.5 27.9 25.3 26 38 A F H > S+ 0 0 31 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.940 120.7 50.1 -74.9 -50.6 11.4 26.9 27.2 27 39 A Q H > S+ 0 0 131 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.787 117.3 41.9 -61.8 -28.0 9.5 30.3 27.2 28 40 A E H > S+ 0 0 81 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.787 116.4 48.7 -87.8 -29.7 10.0 30.7 23.5 29 41 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 5,-0.2 0.906 109.3 51.7 -74.5 -43.5 9.2 27.1 22.8 30 42 A Y H X>S+ 0 0 45 -4,-3.5 4,-2.4 1,-0.2 5,-0.7 0.955 110.0 50.5 -57.0 -49.9 6.0 27.0 24.9 31 43 A R H X5S+ 0 0 82 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.849 106.3 56.8 -55.5 -38.5 4.9 30.1 23.0 32 44 A R H <5S+ 0 0 143 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 118.0 29.9 -62.9 -41.5 5.6 28.4 19.7 33 45 A F H <5S+ 0 0 86 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.650 138.9 18.4 -93.8 -18.4 3.3 25.4 20.4 34 46 A Y H <5S+ 0 0 94 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.615 98.4 94.2-127.2 -21.7 0.7 27.0 22.6 35 47 A G S <