==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 27-AUG-91 4ICB . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR L.A.SVENSSON . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 60.5 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 . 2 2.6 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 39.5 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 1 1 0 0 1 0 0 1 1 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 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 0 A M 0 0 113 0, 0.0 2,-0.3 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 -33.0 1.5 9.6 -0.9 2 1 A K - 0 0 76 4,-0.0 72,-0.0 3,-0.0 0, 0.0 -0.994 360.0-115.6-136.8 143.7 4.3 11.3 -2.8 3 2 A S > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.365 36.5-106.7 -74.8 162.3 6.3 10.1 -5.9 4 3 A P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 123.1 52.9 -56.7 -42.3 10.0 9.4 -5.4 5 4 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.890 109.5 48.5 -61.8 -36.4 10.8 12.7 -7.4 6 5 A E H > S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.942 110.4 50.8 -70.5 -37.9 8.5 14.6 -5.1 7 6 A L H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.874 108.3 52.9 -66.2 -39.2 10.1 13.1 -2.0 8 7 A K H X S+ 0 0 75 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.875 105.7 54.3 -64.9 -35.3 13.6 14.1 -3.4 9 8 A G H X S+ 0 0 29 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 108.7 47.6 -66.7 -30.5 12.4 17.6 -3.8 10 9 A I H X S+ 0 0 12 -4,-1.5 4,-1.6 2,-0.2 5,-0.2 0.957 112.7 49.5 -73.9 -48.3 11.3 17.8 -0.1 11 10 A F H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 3,-0.3 0.918 110.6 51.4 -51.5 -54.2 14.7 16.3 1.0 12 11 A E H X S+ 0 0 98 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.873 105.7 53.8 -51.8 -43.4 16.5 18.8 -1.2 13 12 A K H < S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.7 37.6 -62.7 -36.4 14.7 21.9 0.3 14 13 A Y H >< S+ 0 0 19 -4,-1.6 3,-1.1 -3,-0.3 4,-0.3 0.803 111.9 58.3 -85.5 -31.7 15.6 20.9 3.8 15 14 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 8,-0.5 0.829 100.3 58.2 -70.0 -27.9 19.2 19.6 3.0 16 15 A A T 3< S+ 0 0 61 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.498 82.5 87.2 -81.4 -0.8 20.2 23.0 1.5 17 16 A K T < S- 0 0 120 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.830 100.0 -3.4 -72.2 -30.8 19.5 25.0 4.7 18 17 A E S < S- 0 0 85 -3,-0.7 -1,-0.2 2,-0.3 7,-0.2 -0.989 110.1 -11.4-155.6 163.6 22.9 24.5 6.4 19 18 A G S S+ 0 0 71 -2,-0.3 5,-0.0 -3,-0.1 -4,-0.0 -0.206 119.6 28.1 46.6-132.5 26.3 22.8 6.1 20 19 A D S > S- 0 0 52 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.646 73.7-152.0 -58.4 116.5 26.4 20.2 3.3 21 20 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.522 92.8 47.5 -67.9 -16.4 23.8 21.5 0.8 22 21 A N T 3 S+ 0 0 122 -6,-0.1 42,-0.4 -7,-0.1 2,-0.3 0.307 109.1 55.7-108.7 2.5 23.1 17.9 -0.4 23 22 A Q S < S- 0 0 33 -3,-1.1 2,-0.5 -8,-0.5 40,-0.2 -0.938 79.1-114.0-131.9 158.3 22.8 16.2 2.9 24 23 A L B -A 62 0A 0 38,-2.8 38,-2.3 -2,-0.3 2,-0.1 -0.813 19.0-154.8 -95.6 130.6 20.7 16.5 6.1 25 24 A S > - 0 0 16 -2,-0.5 4,-2.4 36,-0.2 5,-0.2 -0.417 41.0 -98.7 -81.9 170.9 22.2 17.5 9.5 26 25 A K H > S+ 0 0 77 34,-0.4 4,-2.4 1,-0.2 5,-0.1 0.896 127.1 51.4 -60.8 -41.6 20.2 16.3 12.6 27 26 A E H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 109.6 49.7 -63.4 -40.3 18.6 19.8 12.9 28 27 A E H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.1 51.1 -63.6 -38.3 17.6 19.7 9.2 29 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 109.0 53.5 -64.9 -42.5 16.0 16.2 9.7 30 29 A K H X S+ 0 0 85 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.894 109.5 46.9 -56.5 -50.6 14.1 17.6 12.7 31 30 A L H X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.927 113.7 48.2 -58.6 -45.6 12.7 20.5 10.6 32 31 A L H X>S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.922 115.7 43.2 -60.1 -52.8 11.7 18.1 7.8 33 32 A L H X5S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 7,-0.2 0.892 114.1 49.5 -61.5 -49.1 10.0 15.6 10.2 34 33 A Q H <5S+ 0 0 104 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.796 121.6 35.1 -60.1 -39.5 8.3 18.2 12.3 35 34 A T H <5S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 133.4 18.3 -84.0 -46.9 6.9 20.0 9.2 36 35 A E H <5S+ 0 0 62 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.733 134.9 21.8-100.8 -31.9 6.2 17.2 6.7 37 36 A F ><< + 0 0 23 -4,-1.4 3,-2.3 -5,-0.5 4,-0.2 -0.381 65.3 161.3-137.9 57.2 6.0 13.9 8.6 38 37 A P G > + 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.770 68.9 65.5 -56.7 -28.1 5.2 14.8 12.2 39 38 A S G > S+ 0 0 104 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.772 87.3 73.1 -68.8 -18.4 3.9 11.3 13.2 40 39 A L G < S+ 0 0 26 -3,-2.3 -1,-0.3 1,-0.3 5,-0.2 0.724 96.9 49.3 -67.7 -22.2 7.5 10.0 12.6 41 40 A L G < S+ 0 0 31 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.312 98.2 61.8 -94.5 -4.5 8.6 11.7 15.8 42 41 A K S < S+ 0 0 176 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.287 90.0 103.6-106.5 16.8 6.0 10.6 18.3 43 42 A G S S- 0 0 36 2,-0.2 -3,-0.1 -4,-0.2 -2,-0.0 0.009 96.7 -78.5 -80.7-175.0 7.1 7.0 17.6 44 43 A P S S+ 0 0 138 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.768 109.4 71.0 -61.9 -34.4 9.2 4.7 19.7 45 44 A S S S- 0 0 33 -5,-0.2 -2,-0.2 4,-0.0 2,-0.1 -0.666 75.3-135.4 -88.5 146.9 12.5 6.5 18.6 46 45 A T > - 0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.407 35.8-103.1 -81.2 171.5 13.7 9.9 19.7 47 46 A L H > S+ 0 0 19 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.906 123.9 54.8 -63.9 -41.3 15.1 12.2 16.9 48 47 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 111.4 45.2 -57.5 -42.6 18.7 11.4 18.1 49 48 A E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 112.7 48.4 -68.9 -42.0 17.9 7.7 17.7 50 49 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.959 112.7 49.7 -61.7 -50.3 16.3 8.0 14.3 51 50 A F H X S+ 0 0 7 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.909 110.4 50.6 -52.4 -48.9 19.3 10.2 13.1 52 51 A E H < S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.4 48.6 -59.4 -35.6 21.7 7.6 14.4 53 52 A E H < S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.860 113.4 44.6 -70.8 -39.4 19.9 4.8 12.6 54 53 A L H < S+ 0 0 0 -4,-2.0 2,-1.8 1,-0.2 -2,-0.2 0.833 98.1 76.7 -72.0 -37.5 19.7 6.6 9.3 55 54 A D >< + 0 0 12 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 -0.553 57.9 165.8 -79.5 79.6 23.3 7.8 9.4 56 55 A K T 3 S+ 0 0 140 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.878 71.9 47.2 -63.5 -45.6 24.9 4.4 8.5 57 56 A N T 3 S- 0 0 102 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.463 103.2-129.0 -80.9 -1.8 28.4 5.7 7.7 58 57 A G < + 0 0 60 -3,-1.1 -2,-0.1 -6,-0.2 -1,-0.1 0.678 66.5 132.0 63.7 29.0 28.5 7.8 10.9 59 58 A D S S- 0 0 74 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.374 77.5-111.4 -91.7 1.9 29.6 11.0 9.1 60 59 A G S S+ 0 0 38 1,-0.3 -34,-0.4 -5,-0.1 2,-0.3 0.555 88.3 94.4 81.6 12.8 26.9 13.1 10.9 61 60 A E - 0 0 43 -36,-0.1 2,-0.6 -35,-0.1 -2,-0.3 -0.947 66.5-139.1-134.1 148.1 25.0 13.7 7.7 62 61 A V B -A 24 0A 0 -38,-2.3 -38,-2.8 -2,-0.3 -7,-0.1 -0.934 22.3-158.0-110.0 117.8 22.0 11.9 6.2 63 62 A S > - 0 0 25 -2,-0.6 4,-2.1 -40,-0.2 5,-0.1 -0.400 34.1-103.9 -83.7 171.9 22.3 11.5 2.4 64 63 A F H > S+ 0 0 39 -42,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.891 124.5 54.0 -63.6 -32.6 19.3 10.9 0.1 65 64 A E H 4 S+ 0 0 165 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.882 110.1 45.7 -65.3 -40.6 20.4 7.2 -0.2 66 65 A E H >4 S+ 0 0 14 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.863 105.4 60.9 -68.3 -38.9 20.4 6.9 3.6 67 66 A F H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 4,-0.3 0.724 83.7 82.1 -60.3 -27.0 17.0 8.7 3.9 68 67 A Q G >< S+ 0 0 83 -4,-1.0 3,-1.3 -3,-0.4 4,-0.5 0.696 73.3 74.2 -52.4 -31.3 15.3 5.9 1.8 69 68 A V G < S+ 0 0 63 -3,-1.2 3,-0.5 1,-0.2 4,-0.5 0.801 94.4 54.9 -56.2 -26.1 15.0 3.7 4.9 70 69 A L G <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.639 83.6 83.7 -81.6 -16.9 12.2 6.1 5.9 71 70 A V H <> S+ 0 0 35 -3,-1.3 4,-2.5 -4,-0.3 5,-0.3 0.827 84.4 56.5 -61.0 -35.5 10.1 5.8 2.8 72 71 A K H > S+ 0 0 137 -3,-0.5 4,-2.4 -4,-0.5 3,-0.3 0.987 111.3 46.1 -59.7 -46.2 8.3 2.6 3.9 73 72 A K H 4 S+ 0 0 85 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.846 117.4 43.3 -55.9 -45.0 7.2 4.5 7.0 74 73 A I H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 115.9 46.6 -70.5 -39.8 6.1 7.5 5.0 75 74 A S H < 0 0 64 -4,-2.5 -2,-0.2 -3,-0.3 -1,-0.2 0.781 360.0 360.0 -74.2 -38.7 4.4 5.5 2.2 76 75 A Q < 0 0 184 -4,-2.4 -1,-0.0 -5,-0.3 -4,-0.0 -0.735 360.0 360.0 -82.3 360.0 2.5 3.2 4.4