==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/PROTEIN BINDING 20-APR-11 3RM1 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.A.LIRIANO,D.J.WEBER . 98 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 67.3 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 . 2 2.0 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 . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 48.0 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+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 1 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 . 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 0 114 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -6.4 7.8 6.5 2 1 A S > - 0 0 54 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.270 360.0-100.1 -73.6 169.3 -5.3 8.6 2.9 3 2 A E H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.889 126.4 52.3 -59.6 -37.0 -4.8 5.9 0.3 4 3 A L H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 109.5 48.0 -65.3 -43.0 -1.1 6.1 0.9 5 4 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 110.3 51.6 -65.7 -40.3 -1.6 5.6 4.7 6 5 A K H X S+ 0 0 76 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.877 109.0 51.9 -60.2 -40.2 -3.9 2.7 4.0 7 6 A A H X S+ 0 0 49 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.937 107.2 52.2 -62.1 -42.9 -1.2 1.2 1.8 8 7 A V H X S+ 0 0 73 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.936 112.1 46.4 -56.8 -47.2 1.4 1.6 4.6 9 8 A V H X S+ 0 0 91 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.909 109.4 53.4 -64.6 -43.6 -0.9 -0.3 6.9 10 9 A A H X S+ 0 0 54 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.881 106.4 53.8 -60.1 -39.2 -1.7 -3.0 4.4 11 10 A L H X S+ 0 0 48 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.931 112.3 43.4 -58.6 -46.8 2.1 -3.7 4.0 12 11 A I H X S+ 0 0 78 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.934 114.7 50.6 -64.1 -46.5 2.6 -4.1 7.7 13 12 A D H X S+ 0 0 88 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.939 111.8 45.0 -60.0 -51.2 -0.6 -6.3 8.0 14 13 A V H X S+ 0 0 28 -4,-2.8 4,-1.8 2,-0.2 5,-0.3 0.908 110.9 53.3 -65.8 -41.9 0.2 -8.7 5.2 15 14 A F H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.3 3,-0.2 0.953 113.7 42.4 -56.9 -49.9 3.9 -9.2 6.2 16 15 A H H X S+ 0 0 73 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.812 104.9 63.4 -72.6 -27.9 2.9 -10.1 9.8 17 16 A Q H < S+ 0 0 96 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.933 118.1 30.0 -54.9 -44.9 -0.0 -12.3 8.7 18 17 A Y H >< S+ 0 0 8 -4,-1.8 3,-1.4 -3,-0.2 4,-0.4 0.895 118.0 53.5 -86.6 -38.7 2.6 -14.5 7.0 19 18 A S H 3< S+ 0 0 0 -4,-3.3 8,-0.5 1,-0.3 3,-0.5 0.822 104.0 58.0 -67.8 -30.2 5.6 -14.0 9.2 20 19 A G T 3< S+ 0 0 38 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.411 83.8 86.4 -80.1 -0.3 3.7 -14.9 12.3 21 20 A R S < S+ 0 0 127 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.940 98.4 1.3 -65.3 -47.9 2.7 -18.4 11.1 22 21 A E S S- 0 0 107 -3,-0.5 -1,-0.2 -4,-0.4 7,-0.2 -0.962 109.2 -18.2-146.2 152.2 5.7 -20.4 12.2 23 22 A G S S+ 0 0 70 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.133 118.3 27.4 54.3-137.0 9.1 -20.0 13.9 24 23 A D S > S- 0 0 65 1,-0.2 3,-1.0 2,-0.1 -2,-0.3 -0.377 71.8-152.3 -54.3 121.7 10.4 -16.5 14.2 25 24 A K T 3 S+ 0 0 65 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.1 0.601 91.0 53.7 -78.7 -6.8 7.2 -14.3 14.2 26 25 A H T 3 S+ 0 0 126 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.329 105.7 58.4-108.6 5.0 9.1 -11.3 12.7 27 26 A K S < S- 0 0 54 -3,-1.0 2,-0.6 -8,-0.5 43,-0.2 -0.978 74.3-124.8-136.6 151.1 10.5 -13.1 9.7 28 27 A L B -A 69 0A 0 41,-2.8 41,-2.7 -2,-0.3 2,-0.1 -0.838 22.8-159.7 -90.3 115.9 9.3 -15.1 6.7 29 28 A K > - 0 0 57 -2,-0.6 4,-2.7 39,-0.2 5,-0.3 -0.394 43.7 -86.4 -77.9 174.9 10.8 -18.6 6.3 30 29 A K H > S+ 0 0 89 37,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 128.3 47.3 -52.7 -48.6 10.6 -20.2 2.8 31 30 A S H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 113.3 48.7 -65.1 -38.3 7.1 -21.7 3.2 32 31 A E H > S+ 0 0 1 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.921 113.4 47.6 -67.6 -41.2 5.7 -18.4 4.6 33 32 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.913 110.4 51.6 -63.9 -45.4 7.3 -16.4 1.7 34 33 A K H X S+ 0 0 69 -4,-2.8 4,-2.7 -5,-0.3 14,-0.3 0.912 111.9 46.3 -57.0 -48.0 6.0 -18.9 -0.9 35 34 A E H X S+ 0 0 74 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.900 109.7 54.4 -66.1 -38.3 2.4 -18.6 0.4 36 35 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 5,-0.4 0.941 113.8 41.9 -59.4 -48.0 2.6 -14.8 0.6 37 36 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.931 117.1 46.4 -63.7 -48.3 3.6 -14.7 -3.0 38 37 A N H < S+ 0 0 25 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.863 123.6 32.2 -65.4 -36.6 1.2 -17.3 -4.2 39 38 A N H < S+ 0 0 83 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.785 130.8 28.9 -89.2 -33.2 -1.8 -16.0 -2.4 40 39 A E H < S+ 0 0 94 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.528 121.8 42.0-111.9 -13.1 -1.2 -12.2 -2.4 41 40 A L >X + 0 0 29 -4,-1.8 4,-2.1 -5,-0.4 3,-1.5 0.057 68.9 124.7-124.4 25.5 0.9 -11.4 -5.5 42 41 A S T 34 S+ 0 0 69 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.690 73.4 53.8 -65.0 -19.4 -0.9 -13.6 -8.1 43 42 A H T 34 S+ 0 0 139 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.698 118.9 33.0 -85.5 -15.8 -1.6 -10.7 -10.4 44 43 A F T <4 S+ 0 0 60 -3,-1.5 49,-2.9 1,-0.2 2,-0.4 0.627 120.7 38.4-109.1 -22.5 2.1 -9.6 -10.5 45 44 A L S < S- 0 0 4 -4,-2.1 -1,-0.2 -8,-0.2 49,-0.1 -0.995 81.0-109.5-137.7 138.6 4.0 -12.9 -10.3 46 45 A E - 0 0 84 47,-0.5 -3,-0.1 -2,-0.4 -4,-0.0 -0.391 51.3 -90.2 -62.7 140.8 3.6 -16.4 -11.6 47 46 A E - 0 0 115 -5,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.217 38.9-124.3 -48.8 134.8 2.7 -19.0 -9.0 48 47 A I + 0 0 4 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.793 44.3 155.1 -88.8 120.8 5.7 -20.7 -7.4 49 48 A K + 0 0 143 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.259 51.0 72.4-125.3 -0.6 5.4 -24.5 -7.8 50 49 A E S >> S- 0 0 112 1,-0.1 4,-1.9 0, 0.0 3,-0.9 -0.987 70.4-136.6-126.6 137.2 9.1 -25.6 -7.7 51 50 A Q H 3> S+ 0 0 123 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.861 105.4 60.9 -55.1 -39.2 11.5 -25.7 -4.7 52 51 A E H 3> S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 104.8 47.4 -60.0 -33.6 14.2 -24.2 -6.9 53 52 A V H <> S+ 0 0 28 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.904 110.9 50.5 -74.6 -43.9 12.2 -21.1 -7.4 54 53 A V H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.934 113.0 48.4 -51.7 -47.9 11.4 -20.8 -3.7 55 54 A D H X S+ 0 0 55 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 112.3 47.1 -63.8 -44.8 15.1 -21.2 -3.0 56 55 A K H X S+ 0 0 77 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 111.1 50.7 -67.4 -38.2 16.1 -18.6 -5.5 57 56 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.950 113.1 46.0 -64.7 -47.1 13.5 -16.0 -4.4 58 57 A M H X S+ 0 0 6 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.930 112.0 51.0 -59.3 -43.6 14.7 -16.4 -0.8 59 58 A E H < S+ 0 0 116 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.901 111.6 48.9 -60.8 -38.3 18.3 -16.2 -1.8 60 59 A T H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.903 118.8 37.4 -66.0 -43.2 17.6 -13.0 -3.8 61 60 A L H < S+ 0 0 4 -4,-2.4 2,-2.1 1,-0.2 -2,-0.2 0.740 93.4 87.5 -83.6 -23.7 15.6 -11.3 -0.9 62 61 A D >< + 0 0 23 -4,-2.6 3,-1.3 1,-0.2 5,-0.2 -0.440 48.4 164.6 -83.7 74.2 17.7 -12.5 2.1 63 62 A S T 3 S+ 0 0 102 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.798 72.8 48.8 -62.7 -33.0 20.3 -9.7 2.0 64 63 A N T 3 S- 0 0 92 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.491 105.1-126.4 -90.4 -1.7 21.6 -10.4 5.5 65 64 A G S < S+ 0 0 59 -3,-1.3 -2,-0.1 -6,-0.1 -3,-0.1 0.603 70.2 126.1 76.0 14.7 22.1 -14.2 4.9 66 65 A D S S- 0 0 62 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.413 79.9-111.9 -88.0 5.4 20.1 -15.5 7.9 67 66 A G S S+ 0 0 40 1,-0.2 -37,-0.3 -5,-0.2 2,-0.3 0.425 88.4 81.3 84.2 -1.4 17.9 -17.7 5.7 68 67 A E S S- 0 0 46 -39,-0.1 2,-0.7 -7,-0.0 -2,-0.3 -0.893 78.0-117.9-131.9 163.3 14.7 -15.7 6.3 69 68 A C B -A 28 0A 0 -41,-2.7 -41,-2.8 -2,-0.3 -7,-0.1 -0.904 33.0-165.4-103.9 113.6 13.1 -12.6 4.9 70 69 A D > - 0 0 37 -2,-0.7 4,-2.5 -43,-0.2 5,-0.2 -0.172 39.8 -89.3 -87.7-176.8 12.7 -9.8 7.6 71 70 A F H > S+ 0 0 57 -45,-0.4 4,-2.5 1,-0.2 5,-0.2 0.890 126.3 50.6 -67.4 -35.3 10.6 -6.7 7.3 72 71 A Q H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 112.3 47.1 -63.7 -43.4 13.3 -4.6 5.8 73 72 A E H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.868 110.8 53.2 -69.2 -33.8 14.0 -7.3 3.2 74 73 A F H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.908 106.4 52.2 -64.2 -44.7 10.3 -7.5 2.5 75 74 A M H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.883 107.0 53.0 -59.3 -39.1 10.1 -3.8 1.9 76 75 A A H X S+ 0 0 48 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.886 108.7 50.9 -63.5 -39.4 12.9 -4.1 -0.6 77 76 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 108.1 51.4 -59.6 -45.3 10.9 -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 0.907 108.2 52.2 -59.8 -41.7 7.8 -4.6 -2.4 79 78 A A H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.902 107.5 52.6 -62.4 -36.6 10.0 -1.8 -4.0 80 79 A M H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.929 112.6 44.9 -61.2 -44.6 11.2 -4.3 -6.7 81 80 A I H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 113.5 47.9 -66.3 -48.6 7.6 -5.1 -7.5 82 81 A T H < S+ 0 0 75 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.921 112.7 50.0 -61.6 -40.1 6.3 -1.5 -7.5 83 82 A T H >< S+ 0 0 94 -4,-2.4 3,-1.8 -5,-0.2 4,-0.2 0.936 109.0 51.4 -61.3 -47.2 9.2 -0.5 -9.7 84 83 A A H >< S+ 0 0 27 -4,-2.3 3,-1.9 1,-0.3 4,-0.2 0.854 95.2 70.8 -63.9 -32.2 8.6 -3.3 -12.2 85 84 A C G >< S+ 0 0 20 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.698 77.1 81.9 -58.0 -15.9 4.9 -2.3 -12.5 86 85 A H G X S+ 0 0 114 -3,-1.8 3,-1.6 -4,-0.4 -1,-0.3 0.802 76.5 71.3 -60.1 -26.8 6.1 0.8 -14.4 87 86 A E G < S+ 0 0 89 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.726 91.5 60.6 -55.4 -24.2 6.3 -1.4 -17.5 88 87 A F G < 0 0 98 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.537 360.0 360.0 -90.7 -5.2 2.5 -1.5 -17.5 89 88 A F < 0 0 179 -3,-1.6 0, 0.0 -4,-0.2 0, 0.0 -0.731 360.0 360.0-140.9 360.0 1.8 2.3 -17.9 90 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 3 B T 0 0 62 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 67.8 -0.0 -7.5 -14.3 92 4 B K - 0 0 78 -47,-0.1 2,-0.5 1,-0.1 -47,-0.2 -0.308 360.0-168.1 -70.9 112.9 2.6 -10.2 -14.9 93 5 B I - 0 0 9 -49,-2.9 -47,-0.5 -2,-0.3 5,-0.1 -0.844 31.5-114.8 -89.0 122.1 6.1 -9.3 -14.1 94 6 B D > - 0 0 129 -2,-0.5 3,-1.6 1,-0.2 4,-0.4 -0.370 17.7-131.0 -56.5 132.5 8.6 -11.9 -15.5 95 7 B W G >> S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 3,-2.2 0.873 103.4 68.1 -53.9 -33.6 10.3 -13.7 -12.7 96 8 B N G 34 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.774 93.2 57.3 -64.7 -21.0 13.7 -13.1 -14.4 97 9 B K G <4 S+ 0 0 82 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.598 114.3 39.4 -81.6 -9.8 13.4 -9.3 -13.7 98 10 B I T <4 0 0 10 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.1 0.790 360.0 360.0 -97.8 -43.8 13.1 -10.1 -10.0 99 11 B L < 0 0 74 -4,-2.5 -42,-0.1 -38,-0.0 -3,-0.0 0.309 360.0 360.0 -85.3 360.0 15.6 -12.9 -9.6