==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-NOV-98 1B1G . COMPND 2 MOLECULE: PROTEIN (CALBINDIN D9K); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.KORDEL,D.A.PEARLMAN,W.J.CHAZIN . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 65.3 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 . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 38.7 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+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 1 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 . 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 0 146 0, 0.0 5,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 129.2 -12.0 5.8 -0.6 2 2 A S >> - 0 0 65 1,-0.1 4,-2.4 3,-0.1 3,-1.9 -0.172 360.0-103.6 -73.3 162.6 -13.3 3.9 2.4 3 3 A P H 3> S+ 0 0 83 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.898 123.3 58.7 -36.2 -55.5 -11.7 1.2 4.5 4 4 A E H 34 S+ 0 0 153 1,-0.2 4,-0.5 2,-0.2 -2,-0.0 0.673 109.5 43.8 -56.6 -24.6 -14.0 -1.3 2.7 5 5 A E H X> S+ 0 0 96 -3,-1.9 4,-2.2 2,-0.1 3,-1.1 0.920 114.0 47.8 -75.1 -57.4 -12.4 -0.2 -0.6 6 6 A L H 3X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.813 107.0 57.4 -62.4 -32.6 -8.8 -0.1 0.6 7 7 A K H 3X S+ 0 0 123 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.880 111.4 42.9 -57.0 -44.1 -9.2 -3.6 2.2 8 8 A G H <> S+ 0 0 46 -3,-1.1 4,-1.4 -4,-0.5 -2,-0.2 0.795 114.6 51.6 -76.3 -33.3 -10.2 -5.0 -1.2 9 9 A I H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.991 109.8 47.2 -62.6 -62.2 -7.4 -3.0 -2.9 10 10 A F H X S+ 0 0 10 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.894 111.9 50.1 -49.6 -51.3 -4.5 -4.2 -0.6 11 11 A E H X S+ 0 0 120 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.924 111.3 47.1 -58.4 -50.2 -5.5 -7.9 -0.8 12 12 A K H >< S+ 0 0 116 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.941 118.3 40.9 -56.0 -52.9 -5.7 -8.0 -4.6 13 13 A Y H >< S+ 0 0 20 -4,-2.2 3,-2.4 1,-0.2 4,-0.3 0.851 104.5 64.6 -70.7 -34.6 -2.3 -6.2 -5.1 14 14 A A H 3< S+ 0 0 0 -4,-3.2 8,-0.3 1,-0.3 3,-0.3 0.804 103.0 53.1 -55.2 -29.1 -0.6 -8.1 -2.2 15 15 A A T << S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.100 78.3 104.0 -92.1 19.4 -1.1 -11.1 -4.4 16 16 A K S < S+ 0 0 102 -3,-2.4 -1,-0.2 4,-0.0 -2,-0.1 0.977 83.7 26.3 -64.3 -57.5 0.5 -9.6 -7.6 17 17 A E S S- 0 0 96 -4,-0.3 6,-0.0 2,-0.3 10,-0.0 0.313 118.2 -52.5 -88.8-147.0 3.8 -11.5 -7.5 18 18 A G S S+ 0 0 76 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.923 117.3 68.1 -59.0 -46.4 4.9 -14.9 -6.0 19 19 A D - 0 0 28 1,-0.1 -2,-0.3 3,-0.1 5,-0.1 -0.628 64.3-159.7 -83.2 137.9 3.5 -14.2 -2.5 20 20 A P S S+ 0 0 88 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.563 84.8 40.0 -80.7 -17.2 -0.3 -14.0 -2.0 21 21 A N S S+ 0 0 88 -7,-0.1 42,-0.4 -6,-0.1 2,-0.3 0.747 99.3 60.8-117.9 -34.2 -0.2 -12.1 1.3 22 22 A Q - 0 0 53 -8,-0.3 2,-0.8 40,-0.1 40,-0.3 -0.710 67.7-126.3-102.6 155.0 2.5 -9.3 1.5 23 23 A L E -A 61 0A 1 38,-2.4 38,-3.0 -2,-0.3 -9,-0.1 -0.878 28.8-151.9 -92.1 105.5 3.2 -6.1 -0.5 24 24 A S E >> -A 60 0A 19 -2,-0.8 4,-2.8 36,-0.3 3,-1.4 -0.358 27.5-110.1 -66.3 158.5 6.8 -6.2 -1.7 25 25 A K H 3> S+ 0 0 58 34,-0.7 4,-1.2 1,-0.3 -1,-0.1 0.957 125.5 44.3 -54.9 -50.4 8.6 -2.9 -2.2 26 26 A E H 34 S+ 0 0 173 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.483 111.2 55.8 -72.0 -4.3 8.5 -3.6 -6.0 27 27 A E H <> S+ 0 0 3 -3,-1.4 4,-1.5 2,-0.2 3,-0.3 0.796 99.1 58.3 -94.4 -38.7 4.8 -4.7 -5.6 28 28 A L H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.894 95.7 69.9 -52.4 -41.9 3.8 -1.4 -4.0 29 29 A K H X S+ 0 0 88 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.903 101.6 40.0 -39.3 -66.8 5.1 0.3 -7.2 30 30 A L H > S+ 0 0 61 -4,-0.5 4,-3.0 -3,-0.3 5,-0.3 0.920 114.2 55.1 -55.6 -48.4 2.3 -1.0 -9.5 31 31 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.4 0.938 112.6 41.5 -45.8 -59.0 -0.3 -0.4 -6.8 32 32 A L H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.922 113.2 53.7 -60.0 -49.1 0.6 3.2 -6.4 33 33 A Q H < S+ 0 0 126 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.914 117.4 35.3 -55.3 -51.8 1.0 3.8 -10.2 34 34 A T H < S+ 0 0 91 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.952 133.2 21.9 -65.6 -52.7 -2.5 2.4 -11.0 35 35 A E H < S+ 0 0 64 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.745 126.9 31.3-100.2 -26.2 -4.5 3.7 -8.0 36 36 A F X + 0 0 6 -4,-2.5 4,-1.8 -5,-0.4 -3,-0.2 0.100 66.9 122.8-125.3 23.4 -2.7 6.7 -6.3 37 37 A P T 4 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.898 89.4 32.7 -62.5 -45.6 -0.8 8.8 -8.8 38 38 A S T 4 S+ 0 0 95 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.783 112.2 64.9 -76.0 -30.2 -2.5 12.1 -8.1 39 39 A L T 4 S+ 0 0 96 1,-0.2 2,-2.4 -4,-0.1 -1,-0.2 0.821 80.8 82.7 -66.3 -30.6 -3.0 11.2 -4.4 40 40 A L < + 0 0 80 -4,-1.8 2,-2.3 -8,-0.1 -1,-0.2 -0.251 52.8 160.8 -74.7 57.4 0.8 11.2 -3.8 41 41 A K + 0 0 200 -2,-2.4 2,-0.2 -3,-0.1 -1,-0.1 -0.483 48.2 82.9 -70.5 70.7 0.9 15.1 -3.3 42 42 A G S S- 0 0 71 -2,-2.3 -2,-0.0 2,-0.1 3,-0.0 -0.589 84.5-113.2-146.0-156.6 4.3 14.8 -1.6 43 43 A G S S+ 0 0 72 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.527 72.1 118.0-119.5 -36.7 8.1 14.5 -2.1 44 44 A S - 0 0 79 1,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.004 54.5-144.6 -35.9 125.7 8.5 10.9 -0.7 45 45 A T > - 0 0 83 1,-0.0 4,-2.7 -3,-0.0 5,-0.2 -0.539 32.6 -92.9 -88.5 163.7 9.8 8.3 -3.3 46 46 A L H > S+ 0 0 26 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.831 124.4 43.1 -39.6 -55.2 8.7 4.7 -3.3 47 47 A D H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 115.0 48.1 -71.0 -46.0 11.5 3.4 -1.1 48 48 A E H 4 S+ 0 0 116 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.8 46.6 -58.4 -42.2 11.3 6.3 1.4 49 49 A L H >X S+ 0 0 21 -4,-2.7 4,-2.6 2,-0.2 3,-2.4 0.971 110.6 50.1 -67.6 -59.3 7.5 5.8 1.6 50 50 A F H 3X S+ 0 0 4 -4,-3.2 4,-3.3 1,-0.3 -2,-0.2 0.877 106.7 59.6 -39.1 -46.5 7.7 2.0 2.0 51 51 A E H 3< S+ 0 0 130 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.522 106.6 43.8 -79.1 -1.2 10.3 2.8 4.7 52 52 A E H <4 S+ 0 0 105 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.783 117.6 50.1 -77.8 -51.2 7.7 4.8 6.7 53 53 A L H < S+ 0 0 5 -4,-2.6 2,-0.5 -5,-0.1 -2,-0.2 0.892 95.4 68.7 -56.5 -56.5 5.2 2.0 6.0 54 54 A D S < S- 0 0 12 -4,-3.3 4,-0.2 1,-0.1 7,-0.1 -0.571 76.0-147.0 -77.4 118.9 7.1 -1.2 7.0 55 55 A K S S- 0 0 158 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.906 70.9 -46.4 -54.5 -55.5 7.4 -1.0 10.8 56 56 A N S S+ 0 0 152 -3,-0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.057 110.6 101.0-174.5 52.9 10.8 -2.8 11.0 57 57 A G > - 0 0 26 3,-0.0 2,-0.8 2,-0.0 3,-0.7 -0.237 56.0-161.2-171.3 55.3 10.6 -5.9 8.8 58 58 A D T 3 + 0 0 150 1,-0.3 3,-0.1 -4,-0.2 -7,-0.0 -0.514 65.0 64.3 100.2 -30.1 12.2 -4.9 6.1 59 59 A G T 3 S- 0 0 28 -2,-0.8 -34,-0.7 1,-0.4 2,-0.3 0.720 106.4 -3.8-112.1 -67.9 11.2 -7.3 3.2 60 60 A E E < -A 24 0A 79 -3,-0.7 -1,-0.4 -36,-0.2 -36,-0.3 -0.961 58.5-132.5-136.3 152.9 7.5 -6.8 2.6 61 61 A V E -A 23 0A 3 -38,-3.0 -38,-2.4 -2,-0.3 2,-0.3 -0.439 20.6-165.5 -83.8 166.1 4.5 -4.8 4.0 62 62 A S >> - 0 0 35 -40,-0.3 4,-2.5 -2,-0.1 3,-1.3 -0.930 44.2 -83.5-146.2 172.2 1.1 -6.3 4.7 63 63 A F H 3> S+ 0 0 48 -42,-0.4 4,-1.3 -2,-0.3 -41,-0.1 0.821 123.6 64.4 -43.8 -45.9 -2.4 -4.8 5.4 64 64 A E H >4 S+ 0 0 154 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.887 113.1 31.1 -36.6 -60.2 -1.4 -4.4 9.1 65 65 A E H X4 S+ 0 0 43 -3,-1.3 3,-2.5 1,-0.2 4,-0.4 0.857 107.8 72.1 -80.1 -33.1 1.3 -1.9 8.3 66 66 A F H >X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.3 3,-1.4 0.743 76.4 82.1 -51.8 -23.3 -0.6 -0.6 5.2 67 67 A Q H S+ 0 0 45 -3,-2.5 4,-3.0 2,-0.2 -1,-0.3 0.908 103.1 46.9 -60.5 -39.8 -0.3 3.9 7.8 69 69 A L H <> S+ 0 0 11 -3,-1.4 4,-2.3 -4,-0.4 -2,-0.2 0.959 107.8 55.7 -61.9 -50.0 -1.3 4.4 4.2 70 70 A V H < S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.800 113.8 41.8 -56.6 -31.0 -5.0 4.3 5.2 71 71 A K H >< S+ 0 0 131 -4,-2.0 3,-2.8 -5,-0.2 -1,-0.2 0.955 111.5 53.6 -71.1 -57.8 -4.2 7.1 7.6 72 72 A K H >< S+ 0 0 79 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.679 89.6 74.7 -66.3 -15.2 -1.9 9.1 5.3 73 73 A I T 3< S+ 0 0 66 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.638 100.0 48.6 -64.3 -16.3 -4.6 9.3 2.5 74 74 A S T < 0 0 101 -3,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.108 360.0 360.0 -97.7 25.2 -6.1 11.8 4.9 75 75 A Q < 0 0 175 -3,-2.1 -2,-0.2 0, 0.0 -3,-0.1 0.492 360.0 360.0-144.5 360.0 -2.6 13.4 5.1