==== 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 04-APR-08 3CR2 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.H.CHARPENTIER . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 70.0 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 2.2 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 55.6 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 0 0 0 0 1 1 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 0 146 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.3 6.1 -7.8 6.5 2 1 A S > - 0 0 58 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.269 360.0-100.1 -77.7 163.3 4.8 -8.4 2.9 3 2 A E H > S+ 0 0 161 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.800 125.2 52.8 -49.1 -38.9 4.1 -5.7 0.2 4 3 A L H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.7 45.9 -69.2 -40.6 0.4 -6.1 1.0 5 4 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 110.8 53.2 -66.4 -42.9 1.0 -5.5 4.7 6 5 A K H X S+ 0 0 68 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.873 109.6 50.1 -56.2 -38.7 3.3 -2.5 3.9 7 6 A A H X S+ 0 0 47 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.903 107.2 52.9 -68.5 -45.8 0.4 -1.1 1.8 8 7 A V H X S+ 0 0 75 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.923 113.1 43.5 -55.3 -45.0 -2.1 -1.5 4.6 9 8 A V H X S+ 0 0 78 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.855 109.0 57.3 -75.4 -28.7 0.0 0.4 7.0 10 9 A A H X S+ 0 0 52 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.861 105.1 52.8 -65.7 -36.9 1.0 3.1 4.4 11 10 A L H X S+ 0 0 47 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.915 111.8 44.7 -63.7 -44.9 -2.8 3.8 4.0 12 11 A I H X S+ 0 0 73 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.929 114.8 49.7 -59.2 -48.2 -3.1 4.3 7.8 13 12 A D H X S+ 0 0 86 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.925 109.3 47.8 -63.1 -49.0 0.0 6.4 8.0 14 13 A V H X S+ 0 0 25 -4,-2.7 4,-1.7 1,-0.2 5,-0.3 0.931 109.8 55.6 -63.2 -42.2 -0.8 8.9 5.1 15 14 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.911 111.6 41.8 -52.1 -46.3 -4.3 9.4 6.5 16 15 A H H X S+ 0 0 81 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.828 105.9 63.8 -77.3 -32.3 -2.9 10.4 9.9 17 16 A Q H < S+ 0 0 96 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.924 118.4 26.5 -51.2 -46.2 -0.1 12.5 8.4 18 17 A Y H >< S+ 0 0 8 -4,-1.7 3,-1.3 -5,-0.1 4,-0.4 0.878 118.4 54.3 -91.7 -41.6 -2.8 14.8 6.9 19 18 A S H 3< S+ 0 0 0 -4,-2.9 8,-0.6 -5,-0.3 3,-0.4 0.779 104.0 57.6 -63.2 -28.9 -5.8 14.4 9.2 20 19 A G T 3< S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 5,-0.1 0.315 83.3 87.2 -87.2 7.5 -3.8 15.4 12.3 21 20 A R S < S- 0 0 132 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.937 100.1 -1.8 -70.4 -50.2 -2.7 18.7 10.9 22 21 A E S S- 0 0 97 -4,-0.4 -1,-0.2 -3,-0.4 7,-0.2 -0.977 110.2 -14.6-145.2 157.2 -5.8 20.8 12.1 23 22 A G S S+ 0 0 62 -2,-0.3 2,-0.3 -3,-0.1 5,-0.0 -0.223 119.3 29.8 53.8-137.1 -9.1 20.5 13.9 24 23 A D S > S- 0 0 77 1,-0.2 3,-1.7 2,-0.1 -2,-0.2 -0.352 72.8-150.3 -56.8 110.5 -10.3 16.9 14.3 25 24 A K T 3 S+ 0 0 85 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.636 94.3 50.3 -59.3 -16.3 -7.0 15.0 14.4 26 25 A H T 3 S+ 0 0 108 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.131 102.2 61.4-111.6 17.6 -9.0 12.1 12.9 27 26 A K S < S- 0 0 17 -3,-1.7 2,-0.7 -8,-0.6 43,-0.2 -0.993 75.8-123.5-141.0 148.4 -10.7 13.6 9.8 28 27 A L B -A 69 0A 0 41,-3.1 41,-2.4 -2,-0.3 2,-0.2 -0.818 26.0-159.0 -89.9 114.9 -9.4 15.3 6.7 29 28 A K > - 0 0 55 -2,-0.7 4,-2.9 39,-0.2 3,-0.5 -0.475 40.9 -88.5 -81.1 168.9 -10.8 18.8 6.4 30 29 A K H > S+ 0 0 83 37,-0.4 4,-2.5 1,-0.2 5,-0.1 0.830 127.5 48.4 -47.8 -49.1 -10.7 20.3 2.9 31 30 A S H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 114.2 47.1 -65.5 -34.2 -7.2 21.9 3.2 32 31 A E H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.931 111.8 50.7 -69.1 -46.4 -5.8 18.6 4.5 33 32 A L H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.930 109.8 51.2 -51.6 -50.0 -7.5 16.6 1.8 34 33 A K H X S+ 0 0 75 -4,-2.5 4,-2.9 1,-0.2 14,-0.3 0.901 111.5 45.8 -55.2 -46.8 -6.1 19.0 -0.9 35 34 A E H X S+ 0 0 63 -4,-1.7 4,-2.7 2,-0.2 5,-0.4 0.869 109.7 54.9 -69.3 -36.1 -2.5 18.7 0.3 36 35 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.963 113.8 42.0 -61.7 -47.3 -2.8 14.9 0.6 37 36 A I H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.915 118.0 45.9 -64.1 -44.4 -3.9 14.8 -3.1 38 37 A N H < S+ 0 0 24 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.869 123.9 30.7 -70.6 -36.4 -1.4 17.3 -4.3 39 38 A N H < S+ 0 0 80 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.828 131.1 31.1 -94.8 -31.7 1.6 15.9 -2.5 40 39 A E H < S+ 0 0 93 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.539 121.6 41.2-111.9 -12.3 0.8 12.2 -2.4 41 40 A L >X + 0 0 28 -4,-1.6 4,-2.9 -5,-0.4 3,-1.1 0.006 69.3 127.1-123.3 30.5 -1.3 11.5 -5.6 42 41 A S T 34 S+ 0 0 73 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.684 76.8 46.3 -67.7 -21.9 0.7 13.6 -8.1 43 42 A H T 34 S+ 0 0 175 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.608 121.5 36.4 -90.6 -16.6 1.1 10.6 -10.6 44 43 A F T <4 S+ 0 0 125 -3,-1.1 2,-0.3 1,-0.2 -2,-0.2 0.692 119.9 37.1-106.6 -26.7 -2.5 9.5 -10.4 45 44 A L S < S- 0 0 63 -4,-2.9 -1,-0.2 -8,-0.2 3,-0.1 -0.976 83.3-106.6-132.7 142.9 -4.5 12.8 -10.1 46 45 A E - 0 0 185 -2,-0.3 -3,-0.1 1,-0.1 -5,-0.0 -0.335 52.2 -91.1 -61.3 143.4 -4.1 16.3 -11.6 47 46 A E - 0 0 126 -5,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.272 39.8-124.3 -53.0 139.2 -2.9 18.9 -9.1 48 47 A I + 0 0 11 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.828 46.7 150.9 -92.2 114.4 -5.7 20.7 -7.4 49 48 A K + 0 0 164 -2,-0.7 2,-0.4 1,-0.1 -1,-0.1 0.485 49.3 72.9-119.8 -7.9 -5.5 24.5 -7.8 50 49 A E S >> S- 0 0 72 1,-0.1 4,-1.7 0, 0.0 3,-1.1 -0.917 70.4-136.6-115.7 141.4 -9.1 25.7 -7.7 51 50 A Q H 3> S+ 0 0 120 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.849 105.3 63.3 -57.4 -37.1 -11.4 26.0 -4.6 52 51 A E H 3> S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.796 103.1 47.0 -57.2 -36.8 -14.2 24.5 -6.7 53 52 A V H <> S+ 0 0 64 -3,-1.1 4,-3.0 2,-0.2 5,-0.3 0.925 110.2 51.5 -76.7 -44.3 -12.3 21.3 -7.2 54 53 A V H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.962 114.5 45.3 -49.0 -56.1 -11.4 21.0 -3.5 55 54 A D H X S+ 0 0 58 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.928 114.4 47.6 -55.1 -50.2 -15.2 21.5 -2.7 56 55 A K H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.912 109.9 50.4 -61.8 -46.7 -16.3 19.1 -5.3 57 56 A V H X S+ 0 0 33 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.899 114.9 45.6 -59.8 -42.2 -13.8 16.3 -4.4 58 57 A M H X S+ 0 0 6 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.923 108.7 55.1 -64.0 -44.7 -14.9 16.6 -0.7 59 58 A E H < S+ 0 0 146 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 111.9 46.3 -53.1 -41.7 -18.6 16.7 -1.8 60 59 A T H < S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 118.3 38.5 -70.3 -40.2 -17.9 13.4 -3.6 61 60 A L H < S+ 0 0 10 -4,-1.9 2,-1.6 -5,-0.1 -2,-0.2 0.732 92.9 91.7 -84.6 -26.5 -16.0 11.6 -0.7 62 61 A D < + 0 0 25 -4,-2.9 3,-0.3 1,-0.2 -1,-0.1 -0.533 45.8 164.4 -77.3 87.4 -18.1 12.9 2.1 63 62 A S S S+ 0 0 96 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.773 74.7 47.1 -73.0 -32.1 -20.8 10.2 2.5 64 63 A D S S- 0 0 94 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.454 106.0-125.8 -98.0 3.4 -22.1 11.1 5.9 65 64 A G + 0 0 62 -3,-0.3 -2,-0.1 -6,-0.1 -3,-0.1 0.704 68.8 130.1 69.4 23.9 -22.3 14.8 4.9 66 65 A D S S- 0 0 79 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.324 76.9-113.4 -90.4 10.2 -20.2 16.2 7.8 67 66 A G S S+ 0 0 39 1,-0.2 -37,-0.4 -9,-0.1 2,-0.3 0.478 89.6 80.1 74.2 -2.3 -18.0 18.3 5.5 68 67 A E S S- 0 0 43 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.867 77.7-120.9-128.5 167.6 -14.9 16.2 6.3 69 68 A C B -A 28 0A 0 -41,-2.4 -41,-3.1 -2,-0.3 -7,-0.1 -0.953 31.2-168.9-110.7 115.4 -13.5 12.9 5.2 70 69 A D > - 0 0 35 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.217 42.6 -83.6 -93.5-174.1 -13.0 10.3 8.0 71 70 A F H > S+ 0 0 75 -45,-0.4 4,-2.2 1,-0.2 5,-0.1 0.892 127.3 49.1 -63.6 -40.5 -11.1 7.1 7.8 72 71 A Q H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 113.8 46.8 -65.0 -43.7 -14.0 5.0 6.3 73 72 A E H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.834 109.8 53.9 -66.8 -35.8 -14.6 7.7 3.6 74 73 A F H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.905 105.4 53.1 -64.7 -41.8 -10.9 7.8 2.9 75 74 A M H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 107.0 53.1 -58.9 -42.0 -10.8 4.0 2.4 76 75 A A H X S+ 0 0 53 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.877 109.1 49.9 -57.8 -43.0 -13.6 4.5 -0.2 77 76 A F H X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.922 108.9 50.8 -60.8 -48.4 -11.4 7.1 -1.9 78 77 A V H X S+ 0 0 23 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.916 109.5 51.4 -57.9 -43.1 -8.4 4.8 -2.0 79 78 A A H X S+ 0 0 52 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.916 109.8 49.7 -61.6 -41.3 -10.7 2.0 -3.6 80 79 A M H X S+ 0 0 101 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 114.1 44.4 -57.8 -47.9 -11.9 4.5 -6.3 81 80 A I H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 114.6 49.2 -68.6 -45.1 -8.3 5.5 -7.1 82 81 A T H X S+ 0 0 82 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.922 110.7 49.4 -57.8 -48.7 -7.1 1.9 -7.1 83 82 A T H X S+ 0 0 71 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.892 112.3 49.4 -58.4 -44.6 -10.0 0.8 -9.3 84 83 A A H X S+ 0 0 61 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.878 112.0 47.4 -59.7 -44.7 -9.2 3.6 -11.8 85 84 A C H X S+ 0 0 43 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.910 112.0 52.0 -63.5 -42.4 -5.5 2.7 -11.8 86 85 A H H >< S+ 0 0 107 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.928 111.9 43.4 -57.4 -50.5 -6.4 -0.9 -12.4 87 86 A E H >< S+ 0 0 136 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.801 105.2 65.2 -71.6 -28.2 -8.7 -0.3 -15.3 88 87 A F H 3< S+ 0 0 160 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 101.0 49.8 -60.3 -30.8 -6.2 2.2 -16.9 89 88 A F T << 0 0 152 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.181 360.0 360.0-110.1 18.6 -3.6 -0.5 -17.5 90 89 A E < 0 0 179 -3,-1.0 0, 0.0 -4,-0.1 0, 0.0 -0.862 360.0 360.0-134.5 360.0 -5.5 -3.2 -19.2