==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 08-JUL-09 2WND . COMPND 2 MOLECULE: PROTEIN S100-A7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.R.WEST,B.FARNELL,P.H.WATSON,M.J.BOULANGER . 96 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 71.9 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 2.1 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 . 1 1.0 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 0 0 0 0 1 1 0 0 0 1 0 0 0 1 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 1 A S 0 0 171 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.8 -12.9 -2.9 7.3 2 2 A N - 0 0 78 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.534 360.0-108.9 -77.8 155.6 -11.2 -2.2 10.7 3 3 A T > - 0 0 76 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.379 30.6-100.1 -77.5 175.5 -9.8 1.3 11.1 4 4 A Q H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.883 125.1 50.3 -62.4 -41.9 -6.0 2.1 11.1 5 5 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 111.8 46.4 -61.3 -44.3 -6.0 2.2 14.9 6 6 A E H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.1 52.8 -65.3 -40.9 -7.9 -1.2 15.3 7 7 A R H X S+ 0 0 119 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.867 107.3 51.9 -60.0 -43.9 -5.5 -2.6 12.7 8 8 A S H X S+ 0 0 65 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.910 110.0 47.3 -56.8 -49.1 -2.5 -1.4 14.8 9 9 A I H X S+ 0 0 113 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.910 112.7 50.6 -57.5 -45.0 -3.9 -3.0 18.0 10 10 A I H X S+ 0 0 68 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 108.5 51.3 -63.4 -39.0 -4.5 -6.2 16.0 11 11 A G H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.823 107.8 53.4 -68.0 -30.2 -0.9 -6.2 14.6 12 12 A M H X S+ 0 0 75 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.883 109.3 47.8 -71.0 -40.9 0.5 -5.8 18.2 13 13 A I H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.906 111.6 50.8 -63.9 -43.1 -1.5 -8.9 19.3 14 14 A D H X S+ 0 0 96 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.896 109.1 51.1 -62.5 -41.8 -0.2 -10.8 16.2 15 15 A M H X S+ 0 0 22 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.935 109.7 50.6 -63.7 -46.4 3.4 -9.7 17.1 16 16 A F H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.960 110.8 48.7 -50.3 -51.7 2.9 -11.0 20.7 17 17 A H H >< S+ 0 0 85 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.811 100.7 65.3 -62.8 -30.2 1.6 -14.3 19.4 18 18 A K H 3< S+ 0 0 138 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.785 108.1 40.2 -59.4 -30.2 4.6 -14.6 17.1 19 19 A Y T << S+ 0 0 18 -3,-1.3 8,-0.5 -4,-1.0 -1,-0.3 0.333 97.2 98.2-104.9 3.8 7.0 -14.9 20.0 20 20 A T < - 0 0 31 -3,-1.4 6,-0.2 -4,-0.3 2,-0.1 -0.450 58.5-143.3 -86.7 163.6 4.9 -17.1 22.4 21 21 A R > - 0 0 136 4,-1.7 3,-2.3 -2,-0.1 4,-0.2 -0.344 53.6 -63.2-101.1-163.3 5.1 -20.8 23.0 22 22 A R T 3 S+ 0 0 261 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.703 131.7 60.4 -53.2 -29.3 2.2 -23.2 23.6 23 23 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.320 110.9-117.2 -87.7 7.1 1.3 -21.4 26.9 24 24 A D S < S+ 0 0 79 -3,-2.3 2,-0.3 1,-0.3 47,-0.3 0.814 80.5 109.9 66.4 27.5 0.6 -18.1 25.1 25 25 A K - 0 0 66 -4,-0.2 -4,-1.7 45,-0.1 2,-0.5 -0.942 68.1-120.3-131.4 156.1 3.5 -16.4 27.0 26 26 A I B -A 69 0A 0 43,-2.8 43,-2.5 -2,-0.3 -6,-0.2 -0.843 22.7-147.9 -97.9 123.9 6.9 -15.1 25.8 27 27 A D > - 0 0 24 -2,-0.5 4,-2.6 -8,-0.5 5,-0.2 -0.308 33.1 -94.2 -83.1 174.1 10.1 -16.5 27.4 28 28 A K H > S+ 0 0 84 39,-0.4 4,-2.2 1,-0.2 5,-0.2 0.949 119.8 46.0 -59.4 -52.2 13.3 -14.5 27.8 29 29 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.892 114.5 50.7 -62.1 -33.5 15.3 -15.4 24.7 30 30 A S H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.874 108.0 51.7 -71.0 -36.1 12.1 -14.8 22.6 31 31 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.907 110.7 48.3 -62.2 -39.7 11.5 -11.4 24.2 32 32 A L H X S+ 0 0 36 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 113.1 47.7 -68.1 -42.0 15.0 -10.3 23.4 33 33 A T H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.938 110.9 52.1 -58.5 -50.1 14.7 -11.5 19.8 34 34 A M H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 5,-0.3 0.910 112.6 45.5 -53.0 -49.3 11.3 -9.7 19.5 35 35 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.960 113.5 48.4 -62.9 -45.8 12.9 -6.4 20.7 36 36 A K H < S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 120.0 36.6 -67.3 -33.3 16.0 -6.7 18.5 37 37 A E H < S+ 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.729 125.7 35.6 -94.8 -25.8 14.1 -7.4 15.3 38 38 A N H < S+ 0 0 58 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.733 126.0 34.4-101.4 -18.0 11.0 -5.2 15.9 39 39 A F S X S+ 0 0 28 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 -0.309 70.6 134.8-124.6 41.2 12.5 -2.2 17.6 40 40 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.873 75.2 47.5 -65.2 -31.5 16.0 -1.8 16.1 41 41 A N H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.909 112.3 50.6 -77.9 -37.5 15.9 1.9 15.5 42 42 A F H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.940 115.0 43.5 -56.8 -46.6 14.6 2.5 19.1 43 43 A L H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.834 107.0 60.4 -70.6 -30.8 17.5 0.3 20.4 44 44 A S H X S+ 0 0 52 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.908 102.9 52.0 -66.2 -39.4 20.0 1.9 18.1 45 45 A A H X S+ 0 0 27 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.885 110.5 48.9 -64.1 -38.7 19.3 5.2 19.8 46 46 A a H >X>S+ 0 0 0 -4,-1.3 5,-2.8 2,-0.2 4,-0.7 0.920 107.0 54.5 -63.4 -44.7 19.9 3.6 23.2 47 47 A D H ><5S+ 0 0 102 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.886 104.1 55.0 -58.3 -41.8 23.2 1.9 22.1 48 48 A K H 3<5S+ 0 0 177 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.4 50.2 -58.5 -35.6 24.6 5.3 21.0 49 49 A K H <<5S- 0 0 96 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.627 122.0-110.2 -72.1 -19.3 23.9 6.7 24.5 50 50 A G T <<5S+ 0 0 66 -3,-1.1 2,-0.7 -4,-0.7 -3,-0.2 0.661 73.9 140.9 85.5 20.0 25.7 3.7 26.0 51 51 A T < - 0 0 56 -5,-2.8 2,-1.2 -6,-0.2 -1,-0.3 -0.879 43.3-158.3 -96.4 117.1 22.4 2.3 27.3 52 52 A N - 0 0 104 -2,-0.7 3,-0.3 1,-0.2 -9,-0.0 -0.821 15.3-178.4 -85.6 91.0 22.0 -1.5 27.0 53 53 A Y S S+ 0 0 55 -2,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.809 71.9 60.3 -57.1 -34.1 18.2 -1.3 27.2 54 54 A L S >> S+ 0 0 18 -3,-0.1 3,-2.1 2,-0.1 4,-0.5 0.857 75.0 90.8 -78.6 -37.9 18.0 -5.0 27.0 55 55 A A T 34 S+ 0 0 65 -3,-0.3 -3,-0.1 1,-0.3 0, 0.0 -0.401 110.1 2.8 -63.9 129.0 19.9 -6.3 30.0 56 56 A G T 3> S+ 0 0 25 -2,-0.2 4,-2.4 3,-0.0 -1,-0.3 0.378 96.6 114.1 82.9 -12.1 17.3 -6.6 32.7 57 57 A V H <> S+ 0 0 5 -3,-2.1 4,-2.0 2,-0.2 5,-0.2 0.933 79.5 49.6 -57.0 -45.2 14.3 -5.6 30.5 58 58 A F H X S+ 0 0 3 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.926 113.8 45.1 -61.1 -52.1 12.8 -9.1 30.8 59 59 A E H 4 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.884 110.7 53.6 -60.5 -35.3 13.2 -9.1 34.6 60 60 A K H < S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 116.0 40.1 -66.3 -32.8 11.8 -5.5 34.9 61 61 A K H < S+ 0 0 13 -4,-2.0 2,-2.0 1,-0.2 -2,-0.2 0.684 94.6 82.4 -90.5 -21.0 8.7 -6.5 33.0 62 62 A D >< + 0 0 10 -4,-1.9 3,-1.8 1,-0.2 5,-0.2 -0.540 57.8 169.9 -83.8 74.5 8.2 -10.0 34.6 63 63 A K T 3 S+ 0 0 123 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.802 72.6 45.2 -61.9 -34.1 6.5 -8.5 37.6 64 64 A N T 3 S- 0 0 91 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.387 103.0-129.0 -94.7 6.5 5.3 -11.9 39.0 65 65 A E < + 0 0 170 -3,-1.8 -2,-0.1 -6,-0.2 -3,-0.1 0.802 64.6 135.0 55.7 36.4 8.7 -13.6 38.5 66 66 A D S S- 0 0 52 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.375 74.9-116.2 -89.3 4.4 7.2 -16.6 36.6 67 67 A K S S+ 0 0 151 1,-0.2 -39,-0.4 -5,-0.2 2,-0.3 0.733 86.3 93.5 63.3 28.5 10.0 -16.3 34.0 68 68 A K S S- 0 0 55 -41,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.972 70.8-133.0-141.8 152.2 7.4 -15.6 31.3 69 69 A I B -A 26 0A 0 -43,-2.5 -43,-2.8 -2,-0.3 2,-0.1 -0.961 27.9-165.9-103.7 115.8 6.0 -12.4 29.8 70 70 A D > - 0 0 38 -2,-0.6 4,-2.6 -45,-0.2 5,-0.2 -0.344 39.7 -89.4 -93.2 176.6 2.3 -12.6 29.6 71 71 A F H > S+ 0 0 70 -47,-0.3 4,-2.7 1,-0.2 5,-0.2 0.915 125.4 53.5 -58.7 -39.4 0.1 -10.2 27.6 72 72 A S H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 112.8 44.8 -61.7 -35.7 -0.3 -7.7 30.5 73 73 A E H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 109.6 55.0 -79.7 -33.2 3.4 -7.5 30.9 74 74 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 105.9 53.1 -59.0 -43.5 4.0 -7.2 27.1 75 75 A L H X S+ 0 0 90 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.890 106.0 54.4 -62.6 -36.8 1.6 -4.2 27.1 76 76 A S H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.916 109.2 47.0 -60.2 -43.6 3.6 -2.6 29.8 77 77 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 109.6 52.5 -64.9 -41.2 6.7 -3.0 27.7 78 78 A M H X S+ 0 0 26 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.913 109.2 52.7 -60.5 -39.2 4.9 -1.6 24.6 79 79 A G H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.906 105.6 52.0 -60.5 -41.0 4.0 1.4 26.8 80 80 A D H X S+ 0 0 58 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.915 111.5 47.1 -62.6 -39.2 7.5 2.0 27.9 81 81 A I H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.953 113.4 48.7 -65.7 -48.1 8.6 2.0 24.2 82 82 A A H X S+ 0 0 56 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.873 107.4 55.9 -57.7 -40.8 5.7 4.4 23.3 83 83 A T H X S+ 0 0 65 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.898 105.9 51.0 -60.7 -41.4 6.6 6.7 26.3 84 84 A D H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.928 111.8 47.0 -64.3 -39.0 10.1 7.1 24.9 85 85 A Y H X S+ 0 0 88 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.871 111.3 51.0 -69.5 -34.7 8.7 8.0 21.5 86 86 A H H X S+ 0 0 113 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.943 110.4 50.4 -63.1 -43.6 6.3 10.5 23.0 87 87 A K H ><>S+ 0 0 106 -4,-2.6 5,-2.2 1,-0.2 3,-0.7 0.906 111.7 46.4 -64.1 -44.6 9.1 12.1 25.0 88 88 A K H ><5S+ 0 0 92 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.787 102.1 63.3 -67.6 -30.4 11.3 12.5 22.0 89 89 A S H 3<5S+ 0 0 80 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.7 51.7 -62.5 -21.2 8.4 13.9 19.8 90 90 A H T <<5S- 0 0 141 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 -0.124 134.1 -95.3-101.6 32.0 8.6 16.7 22.5 91 91 A G T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.577 77.3 143.1 60.8 16.8 12.4 17.1 21.9 92 92 A A < - 0 0 38 -5,-2.2 -1,-0.2 -6,-0.1 3,-0.1 -0.433 62.4 -90.4 -68.6 158.1 13.6 14.8 24.7 93 93 A A - 0 0 59 1,-0.1 3,-0.5 -2,-0.1 -1,-0.1 -0.519 49.3 -95.2 -66.3 139.6 16.7 12.9 23.9 94 94 A P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.232 108.7 18.1 -40.4 134.4 16.2 9.3 22.3 95 95 A a 0 0 9 -14,-0.1 -2,-0.1 1,-0.1 -10,-0.0 0.922 360.0 360.0 56.8 53.9 16.3 6.6 25.0 96 96 A S 0 0 96 -3,-0.5 -1,-0.1 -12,-0.1 -12,-0.1 -0.131 360.0 360.0 -85.7 360.0 15.7 8.8 28.1