==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 26-JAN-10 3LK1 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.H.CHARPENTIER,D.J.WEBER,P.W.WILDER . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 71.6 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 3.4 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 . 1 1.1 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 53.4 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 0 0 0 2 0 1 0 0 0 1 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 0 A M 0 0 116 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.8 6.9 -7.7 6.2 2 1 A S > - 0 0 52 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.383 360.0-114.3 -73.6 159.4 5.0 -8.6 3.0 3 2 A E H > S+ 0 0 154 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.850 119.5 51.2 -63.8 -32.1 4.6 -6.0 0.3 4 3 A L H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 109.3 49.6 -65.9 -45.2 0.8 -6.1 0.9 5 4 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.883 108.5 53.1 -64.8 -37.3 1.3 -5.6 4.7 6 5 A K H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.840 109.4 50.0 -62.0 -35.3 3.6 -2.6 3.9 7 6 A A H X S+ 0 0 46 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.886 107.3 53.4 -70.0 -41.1 0.8 -1.2 1.8 8 7 A V H X S+ 0 0 74 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.939 112.4 43.9 -59.7 -48.7 -1.8 -1.6 4.5 9 8 A V H X S+ 0 0 90 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.864 110.9 55.0 -65.2 -37.6 0.4 0.3 7.0 10 9 A A H X S+ 0 0 44 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.885 105.6 52.3 -62.3 -40.7 1.3 3.0 4.5 11 10 A L H X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 114.2 43.1 -58.8 -46.4 -2.4 3.7 3.9 12 11 A I H X S+ 0 0 79 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.944 115.4 50.0 -62.8 -48.5 -2.9 4.1 7.7 13 12 A D H X S+ 0 0 91 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.919 113.1 43.3 -58.0 -50.8 0.3 6.2 8.0 14 13 A V H X S+ 0 0 35 -4,-2.7 4,-1.2 1,-0.2 5,-0.2 0.907 110.7 54.5 -72.8 -38.9 -0.5 8.7 5.2 15 14 A F H >X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.3 3,-0.8 0.958 113.2 42.7 -52.2 -53.6 -4.1 9.2 6.1 16 15 A H H 3X S+ 0 0 71 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.736 103.5 64.7 -70.8 -24.6 -3.2 10.1 9.7 17 16 A Q H 3< S+ 0 0 97 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.831 118.3 28.7 -62.5 -32.2 -0.3 12.3 8.7 18 17 A Y H X< S+ 0 0 8 -4,-1.2 3,-1.4 -3,-0.8 4,-0.4 0.846 118.8 52.7 -96.1 -44.3 -2.9 14.5 7.0 19 18 A S H 3< S+ 0 0 0 -4,-3.4 8,-0.5 1,-0.3 3,-0.4 0.789 104.9 58.8 -65.7 -27.9 -6.0 13.9 9.1 20 19 A G T 3< S+ 0 0 23 -4,-1.6 -1,-0.3 -5,-0.2 5,-0.1 0.420 84.3 84.7 -82.4 1.0 -4.1 14.8 12.3 21 20 A R S < S+ 0 0 125 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.959 98.4 6.3 -68.4 -51.4 -3.1 18.2 11.2 22 21 A E S S- 0 0 114 -4,-0.4 5,-0.2 -3,-0.4 -1,-0.2 -0.944 110.2 -21.4-140.7 151.8 -6.3 20.2 12.2 23 22 A G S S+ 0 0 70 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.169 120.5 27.7 52.4-135.8 -9.6 19.8 14.0 24 23 A D S > S- 0 0 69 1,-0.2 3,-0.9 2,-0.1 -2,-0.3 -0.366 73.2-151.7 -55.0 122.7 -10.7 16.2 14.3 25 24 A K T 3 S+ 0 0 121 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.524 91.7 52.4 -81.0 -1.8 -7.5 14.2 14.2 26 25 A H T 3 S+ 0 0 124 -7,-0.1 45,-0.6 -6,-0.1 2,-0.3 0.292 104.5 59.3-114.7 5.1 -9.2 11.2 12.6 27 26 A K E < S-A 70 0A 16 -3,-0.9 2,-0.6 -8,-0.5 43,-0.2 -0.969 76.2-123.2-133.8 152.1 -10.9 12.9 9.7 28 27 A L E -A 69 0A 0 41,-3.1 41,-2.7 -2,-0.3 -9,-0.1 -0.850 21.9-158.5 -94.0 117.7 -9.7 15.0 6.7 29 28 A K > - 0 0 41 -2,-0.6 4,-2.4 39,-0.2 5,-0.2 -0.355 43.5 -88.4 -76.8 173.6 -11.2 18.5 6.4 30 29 A K H > S+ 0 0 86 37,-0.3 4,-2.6 1,-0.2 5,-0.1 0.863 128.1 48.7 -53.1 -45.1 -11.1 20.0 2.9 31 30 A S H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 112.7 48.9 -67.7 -36.7 -7.6 21.6 3.2 32 31 A E H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 112.7 47.4 -64.8 -43.8 -6.2 18.3 4.6 33 32 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 111.1 51.8 -62.9 -45.8 -7.7 16.3 1.7 34 33 A K H X S+ 0 0 72 -4,-2.6 4,-2.8 -5,-0.2 14,-0.3 0.920 111.3 46.3 -59.7 -46.0 -6.4 18.8 -0.8 35 34 A E H X S+ 0 0 67 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.902 110.4 53.7 -64.7 -43.3 -2.8 18.6 0.5 36 35 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 5,-0.5 0.948 113.7 42.2 -53.7 -51.2 -3.0 14.8 0.6 37 36 A I H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.944 117.6 46.0 -62.7 -49.5 -4.0 14.7 -3.1 38 37 A N H < S+ 0 0 26 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.844 124.0 31.2 -63.1 -40.2 -1.6 17.3 -4.2 39 38 A N H < S+ 0 0 81 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.816 130.7 29.6 -87.9 -36.6 1.5 16.0 -2.3 40 39 A E H < S+ 0 0 96 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.538 121.7 42.6-108.7 -12.6 0.9 12.2 -2.3 41 40 A L >X + 0 0 29 -4,-1.6 4,-2.5 -5,-0.5 3,-1.6 0.070 67.4 126.5-123.6 27.3 -1.1 11.5 -5.5 42 41 A S T 34 S+ 0 0 78 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.690 74.6 51.4 -63.8 -21.8 0.7 13.6 -8.1 43 42 A H T 34 S+ 0 0 180 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.644 119.9 34.4 -83.1 -17.1 1.3 10.7 -10.5 44 43 A F T <4 S+ 0 0 129 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.736 118.7 37.7-108.9 -34.3 -2.4 9.6 -10.5 45 44 A L S < S- 0 0 61 -4,-2.5 -1,-0.3 -8,-0.2 3,-0.1 -0.978 82.5-107.3-132.1 136.6 -4.5 12.8 -10.1 46 45 A E - 0 0 117 -2,-0.4 -3,-0.1 1,-0.1 -4,-0.0 -0.328 52.3 -92.2 -56.4 138.1 -4.1 16.3 -11.6 47 46 A E - 0 0 120 -5,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.240 39.6-121.5 -52.8 136.2 -3.1 18.9 -9.0 48 47 A I + 0 0 11 -14,-0.3 -1,-0.1 1,-0.2 -10,-0.1 -0.778 48.7 149.1 -85.9 119.0 -6.0 20.6 -7.3 49 48 A K + 0 0 162 -2,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.522 50.6 71.5-120.7 -16.5 -5.9 24.4 -7.7 50 49 A E S >> S- 0 0 127 1,-0.1 4,-1.7 0, 0.0 3,-0.9 -0.866 71.2-135.2-111.2 142.3 -9.6 25.5 -7.8 51 50 A Q H 3> S+ 0 0 119 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.850 104.6 59.9 -58.4 -39.2 -12.0 25.6 -4.9 52 51 A E H 3> S+ 0 0 150 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.815 104.2 50.9 -64.7 -25.1 -14.8 24.0 -6.9 53 52 A V H <> S+ 0 0 66 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.931 110.3 48.5 -76.2 -45.1 -12.6 20.9 -7.5 54 53 A V H X S+ 0 0 10 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.940 113.9 48.3 -49.8 -53.7 -11.9 20.6 -3.7 55 54 A D H X S+ 0 0 56 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.913 112.2 47.3 -58.0 -48.1 -15.6 21.0 -3.0 56 55 A K H X S+ 0 0 116 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 110.9 50.7 -63.2 -44.1 -16.6 18.4 -5.6 57 56 A V H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.966 113.4 45.6 -61.3 -50.9 -14.0 15.8 -4.4 58 57 A M H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.901 110.4 54.2 -55.4 -44.6 -15.2 16.2 -0.8 59 58 A E H < S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.6 46.0 -57.4 -40.4 -18.8 16.0 -1.9 60 59 A T H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 118.6 39.6 -68.6 -41.4 -18.0 12.7 -3.7 61 60 A L H < S+ 0 0 5 -4,-2.2 2,-1.8 1,-0.2 -2,-0.2 0.706 92.6 86.7 -85.6 -22.8 -16.1 11.1 -0.8 62 61 A D >< + 0 0 25 -4,-2.4 3,-1.3 -5,-0.2 5,-0.2 -0.486 47.6 162.5 -86.3 73.5 -18.2 12.3 2.1 63 62 A S T 3 S+ 0 0 101 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.768 72.4 49.7 -60.3 -36.7 -20.8 9.5 2.3 64 63 A D T 3 S- 0 0 92 4,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.397 106.6-126.2 -90.8 4.5 -22.1 10.1 5.8 65 64 A G S < S+ 0 0 61 -3,-1.3 -2,-0.1 -6,-0.1 -3,-0.1 0.727 70.1 127.1 64.3 30.6 -22.5 13.8 5.1 66 65 A D S S- 0 0 79 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.313 79.7-111.6 -96.6 5.9 -20.5 15.3 8.0 67 66 A G S S+ 0 0 41 1,-0.2 2,-0.3 -5,-0.2 -37,-0.3 0.505 87.3 85.0 81.2 1.7 -18.4 17.5 5.6 68 67 A E S S- 0 0 48 -39,-0.1 2,-0.7 -7,-0.1 -2,-0.3 -0.875 77.1-116.2-131.8 165.5 -15.2 15.6 6.2 69 68 A C E -A 28 0A 0 -41,-2.7 -41,-3.1 -2,-0.3 -7,-0.1 -0.908 33.1-167.4-105.4 109.7 -13.4 12.5 4.9 70 69 A D E > -A 27 0A 35 -2,-0.7 4,-2.6 -43,-0.2 5,-0.2 -0.271 39.9 -90.8 -88.4 178.1 -13.0 9.7 7.5 71 70 A F H > S+ 0 0 59 -45,-0.6 4,-1.9 1,-0.2 5,-0.1 0.851 126.4 48.6 -64.8 -35.2 -10.8 6.7 7.3 72 71 A Q H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 112.6 48.9 -68.2 -40.7 -13.5 4.5 5.8 73 72 A E H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.876 109.6 53.5 -64.0 -37.3 -14.4 7.2 3.2 74 73 A F H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.892 105.6 52.8 -62.6 -42.3 -10.6 7.4 2.5 75 74 A M H X S+ 0 0 70 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.879 106.9 52.2 -62.9 -37.9 -10.4 3.7 1.8 76 75 A A H X S+ 0 0 43 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.872 108.9 51.6 -61.5 -38.6 -13.4 4.0 -0.7 77 76 A F H X S+ 0 0 14 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.942 109.5 48.6 -61.4 -50.2 -11.3 6.8 -2.3 78 77 A V H X S+ 0 0 24 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 109.3 53.1 -56.4 -45.2 -8.3 4.5 -2.6 79 78 A A H X S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 108.4 51.4 -54.8 -43.0 -10.6 1.8 -4.0 80 79 A M H X S+ 0 0 91 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.907 112.7 44.4 -59.6 -45.8 -11.7 4.4 -6.7 81 80 A I H < S+ 0 0 25 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.927 113.5 49.5 -67.2 -46.1 -8.1 5.2 -7.7 82 81 A T H >X S+ 0 0 74 -4,-2.8 3,-1.1 1,-0.2 4,-0.8 0.856 110.6 50.5 -65.3 -38.2 -6.9 1.6 -7.8 83 82 A T H 3< S+ 0 0 74 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.860 101.7 60.7 -68.4 -36.7 -9.8 0.5 -9.9 84 83 A A T 3X S+ 0 0 54 -4,-1.6 4,-0.9 -5,-0.2 3,-0.3 0.512 112.4 41.7 -65.1 4.3 -9.3 3.3 -12.4 85 84 A C T <4 S+ 0 0 74 -3,-1.1 -2,-0.2 1,-0.4 -1,-0.2 0.371 101.3 61.2-166.2 12.3 -5.8 1.8 -13.0 86 85 A H T < S+ 0 0 172 -4,-0.8 -1,-0.4 -3,-0.4 -4,-0.0 -0.948 116.4 39.6 -49.9 74.6 -6.6 -1.5 -13.0 87 86 A E T 4 0 0 155 1,-0.6 -2,-0.2 -3,-0.3 -3,-0.1 -0.121 360.0 360.0-178.5 -49.4 -8.7 -0.2 -16.0 88 87 A F < 0 0 234 -4,-0.9 -1,-0.6 -5,-0.1 -3,-0.0 -0.053 360.0 360.0 -52.1 360.0 -6.5 2.3 -17.9