==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 27-JUL-09 2WOR . COMPND 2 MOLECULE: PROTEIN S100-A7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.LEON,F.HOF,M.J.BOULANGER . 96 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 72.9 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 . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 54.2 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 0 0 0 0 2 0 1 0 0 0 0 1 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 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 -7.7 8.6 -5.8 2 2 A N - 0 0 77 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.274 360.0-121.7 -61.6 144.9 -4.1 9.4 -4.8 3 3 A T > - 0 0 71 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.297 29.8 -98.5 -75.6 175.2 -1.4 7.5 -6.7 4 4 A Q H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.896 126.0 50.0 -62.2 -38.7 1.2 5.3 -4.9 5 5 A A H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 112.2 44.8 -67.5 -40.0 3.7 8.2 -5.2 6 6 A E H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 113.4 51.8 -69.0 -41.6 1.3 10.8 -3.7 7 7 A R H X S+ 0 0 139 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.871 107.9 53.2 -61.3 -33.9 0.3 8.3 -0.9 8 8 A S H X S+ 0 0 73 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.921 110.8 45.2 -67.6 -44.2 4.0 7.8 -0.1 9 9 A I H X S+ 0 0 115 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.948 115.8 45.5 -64.1 -47.0 4.7 11.5 0.3 10 10 A I H X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 112.9 52.9 -61.7 -39.3 1.5 12.1 2.4 11 11 A G H X S+ 0 0 34 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.867 106.9 50.9 -62.3 -42.2 2.4 9.0 4.4 12 12 A M H X S+ 0 0 70 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.874 111.2 48.9 -66.8 -32.5 5.9 10.3 5.2 13 13 A I H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 112.2 48.2 -69.8 -47.2 4.5 13.7 6.4 14 14 A D H X S+ 0 0 98 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.920 110.1 52.2 -63.1 -39.9 2.0 11.8 8.6 15 15 A M H >X S+ 0 0 18 -4,-2.9 3,-1.6 2,-0.2 4,-0.6 0.930 107.3 52.8 -57.8 -46.3 4.8 9.6 10.0 16 16 A F H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 4,-0.7 0.920 106.2 54.5 -54.0 -43.4 6.8 12.8 10.8 17 17 A H H 3< S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.537 94.4 67.1 -72.9 -10.4 3.8 14.1 12.7 18 18 A K H << S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.727 112.5 34.4 -68.2 -24.1 3.5 11.0 14.9 19 19 A Y H << S+ 0 0 17 -3,-1.7 8,-0.5 -4,-0.6 -2,-0.2 0.468 91.9 106.6-115.3 -5.4 6.8 12.0 16.5 20 20 A T < - 0 0 35 -4,-0.7 6,-0.2 6,-0.2 2,-0.1 -0.356 56.8-137.3 -72.9 153.0 6.9 15.9 16.6 21 21 A R > - 0 0 134 4,-2.7 3,-2.3 -2,-0.1 4,-0.2 -0.313 49.1 -74.9 -85.8-171.8 6.5 18.0 19.7 22 22 A R T 3 S+ 0 0 266 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.710 130.6 62.7 -68.0 -12.6 4.4 21.1 19.8 23 23 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.302 115.9-111.8 -94.0 16.0 7.0 23.1 17.9 24 24 A D S < S+ 0 0 78 -3,-2.3 2,-0.3 1,-0.3 47,-0.3 0.730 84.4 110.9 63.5 27.9 6.6 20.7 14.9 25 25 A K - 0 0 58 -4,-0.2 -4,-2.7 45,-0.1 2,-0.5 -0.904 66.7-123.1-129.3 158.5 10.1 19.3 15.4 26 26 A I B -A 69 0A 0 43,-2.8 43,-2.6 -2,-0.3 -6,-0.2 -0.848 21.2-143.5-105.6 130.8 11.4 15.9 16.6 27 27 A D > - 0 0 24 -2,-0.5 4,-2.5 -8,-0.5 5,-0.2 -0.291 33.2 -94.5 -83.7 174.0 13.6 15.6 19.6 28 28 A K H > S+ 0 0 77 39,-0.4 4,-2.4 2,-0.2 5,-0.2 0.946 121.0 45.0 -62.4 -46.7 16.4 13.0 19.9 29 29 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.914 115.0 50.8 -64.7 -28.8 14.7 10.1 21.7 30 30 A S H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.854 108.9 52.0 -74.8 -36.1 11.7 10.5 19.4 31 31 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.919 110.3 47.8 -63.3 -46.0 14.0 10.4 16.3 32 32 A L H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 111.8 49.2 -63.5 -39.1 15.6 7.3 17.5 33 33 A T H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.908 108.9 54.1 -58.4 -49.0 12.1 5.7 18.2 34 34 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.915 110.0 47.6 -52.8 -45.3 11.0 6.8 14.7 35 35 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 111.9 47.8 -64.7 -46.4 14.0 5.0 13.1 36 36 A K H < S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.4 41.3 -63.0 -36.1 13.5 1.8 15.1 37 37 A E H < S+ 0 0 110 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.772 127.9 28.4 -81.9 -31.6 9.7 1.7 14.3 38 38 A N H < S+ 0 0 57 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.678 127.7 33.7-112.4 -15.2 9.9 2.7 10.7 39 39 A F X + 0 0 26 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 -0.150 67.7 134.2-130.5 44.0 13.3 1.6 9.4 40 40 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.822 76.5 47.2 -64.3 -36.6 14.0 -1.6 11.2 41 41 A N H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.893 112.7 49.0 -70.3 -38.7 15.2 -3.6 8.2 42 42 A F H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 113.0 48.6 -61.4 -43.1 17.4 -0.8 7.0 43 43 A L H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 10,-0.2 0.921 109.9 52.5 -68.1 -36.6 18.8 -0.6 10.6 44 44 A S H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 107.2 50.9 -65.3 -38.7 19.4 -4.4 10.6 45 45 A A H X S+ 0 0 26 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.915 111.3 49.3 -68.6 -36.6 21.3 -4.3 7.4 46 46 A a H ><>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-1.1 0.935 110.1 50.0 -62.1 -50.1 23.5 -1.5 8.9 47 47 A D H ><5S+ 0 0 94 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.865 104.2 59.2 -55.1 -41.2 24.1 -3.6 12.1 48 48 A K H 3<5S+ 0 0 168 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.763 106.5 48.3 -62.9 -27.2 25.1 -6.6 10.0 49 49 A K T <<5S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.213 126.0-100.7 -94.2 5.5 27.9 -4.5 8.5 50 50 A G T < 5S+ 0 0 74 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.680 83.1 126.1 82.5 25.7 29.1 -3.2 11.9 51 51 A T < - 0 0 60 -5,-2.2 2,-1.1 -8,-0.1 -1,-0.2 -0.961 46.0-160.1-118.5 123.3 27.4 0.2 11.7 52 52 A N >> - 0 0 97 -2,-0.5 3,-1.6 1,-0.2 4,-0.5 -0.833 11.6-171.7 -99.2 93.3 25.1 1.4 14.5 53 53 A Y H 3> S+ 0 0 39 -2,-1.1 4,-1.1 1,-0.3 3,-0.4 0.746 77.4 59.3 -62.0 -24.8 23.3 4.1 12.6 54 54 A L H 34 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.575 87.3 76.9 -78.9 -14.2 21.4 5.5 15.6 55 55 A A H <4 S+ 0 0 68 -3,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.909 117.1 9.2 -61.1 -43.1 24.7 6.3 17.4 56 56 A D H X S+ 0 0 60 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.492 96.1 101.4-117.2 0.3 25.3 9.4 15.3 57 57 A V H X S+ 0 0 5 -4,-1.1 4,-2.2 1,-0.2 5,-0.2 0.880 85.2 49.5 -60.1 -40.7 22.2 10.1 13.2 58 58 A F H > S+ 0 0 3 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.949 113.8 45.1 -64.5 -41.3 20.9 12.9 15.3 59 59 A E H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.876 114.2 49.6 -71.7 -30.9 24.2 14.7 15.4 60 60 A K H < S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.0 37.3 -66.9 -37.7 24.7 14.3 11.8 61 61 A K H < S+ 0 0 28 -4,-2.2 2,-2.0 -5,-0.2 3,-0.2 0.593 89.6 88.9 -99.1 -15.4 21.3 15.5 10.7 62 62 A D >< + 0 0 5 -4,-2.1 3,-1.2 -5,-0.2 5,-0.2 -0.569 56.4 170.5 -76.6 75.8 20.7 18.3 13.3 63 63 A K T 3 S+ 0 0 182 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.878 71.7 42.7 -65.4 -39.5 22.4 20.8 10.9 64 64 A N T 3 S- 0 0 91 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.422 103.2-130.1 -92.9 4.4 21.6 24.0 12.8 65 65 A E < + 0 0 159 -3,-1.2 -2,-0.1 1,-0.1 -3,-0.1 0.817 66.2 132.2 54.9 35.9 22.4 22.4 16.2 66 66 A D S S- 0 0 57 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.309 76.6-115.8 -91.6 5.6 19.2 23.5 17.9 67 67 A K S S+ 0 0 127 1,-0.2 -39,-0.4 -5,-0.2 2,-0.3 0.780 86.5 91.7 65.7 29.1 18.9 19.9 19.3 68 68 A K S S- 0 0 55 -41,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.963 72.7-130.4-142.5 151.6 15.6 19.3 17.3 69 69 A I B -A 26 0A 1 -43,-2.6 -43,-2.8 -2,-0.3 -7,-0.1 -0.950 28.9-164.8-103.1 115.9 15.1 17.8 13.8 70 70 A D > - 0 0 33 -2,-0.6 4,-2.8 -45,-0.2 5,-0.2 -0.288 39.3 -89.3 -92.1 176.6 12.8 20.0 11.8 71 71 A F H > S+ 0 0 70 -47,-0.3 4,-2.6 1,-0.2 5,-0.1 0.890 126.5 53.0 -58.2 -40.1 11.0 19.0 8.6 72 72 A S H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 111.7 45.9 -59.7 -41.7 13.9 20.1 6.3 73 73 A E H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.872 110.7 53.2 -69.4 -39.0 16.4 18.0 8.4 74 74 A F H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.913 107.4 51.8 -61.5 -42.6 14.0 15.0 8.4 75 75 A L H X S+ 0 0 89 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.925 107.8 52.7 -64.3 -35.1 13.8 15.3 4.5 76 76 A S H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.903 108.6 49.8 -66.3 -33.8 17.6 15.3 4.5 77 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.938 109.9 49.8 -65.9 -46.1 17.6 12.1 6.6 78 78 A L H X S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.889 109.0 54.5 -62.4 -36.2 15.0 10.4 4.2 79 79 A G H X S+ 0 0 30 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.895 107.0 50.2 -62.5 -37.9 17.3 11.5 1.3 80 80 A D H X S+ 0 0 66 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.918 112.2 45.8 -63.0 -44.1 20.2 9.7 2.9 81 81 A I H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 114.6 48.8 -67.0 -43.4 18.2 6.5 3.4 82 82 A A H X S+ 0 0 56 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.886 108.1 54.1 -62.5 -39.0 17.0 6.7 -0.2 83 83 A T H X S+ 0 0 71 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.933 107.5 51.3 -61.9 -40.9 20.5 7.3 -1.5 84 84 A D H X S+ 0 0 16 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.939 111.9 45.5 -60.4 -46.2 21.6 4.1 0.3 85 85 A Y H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.874 111.9 53.1 -67.0 -34.9 18.8 2.1 -1.3 86 86 A H H X S+ 0 0 116 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.929 108.9 48.1 -65.3 -42.9 19.6 3.7 -4.7 87 87 A K H ><>S+ 0 0 99 -4,-2.8 5,-2.5 1,-0.2 3,-1.2 0.927 109.7 54.0 -66.0 -36.6 23.3 2.7 -4.4 88 88 A Q H ><5S+ 0 0 60 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.920 101.9 58.6 -61.6 -35.6 22.1 -0.9 -3.4 89 89 A S H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.738 104.4 51.7 -65.3 -20.0 20.0 -1.0 -6.6 90 90 A H T <<5S- 0 0 148 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.136 135.0 -86.5 -98.3 7.4 23.3 -0.4 -8.5 91 91 A G T < 5S+ 0 0 72 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.414 81.2 141.6 101.5 10.1 25.1 -3.3 -6.8 92 92 A A < - 0 0 39 -5,-2.5 -1,-0.3 -6,-0.2 3,-0.1 -0.395 57.2-106.8 -78.8 153.6 26.4 -1.6 -3.6 93 93 A A - 0 0 50 1,-0.1 3,-0.5 -2,-0.1 -1,-0.1 -0.472 50.1 -88.7 -67.1 150.3 26.4 -3.4 -0.3 94 94 A P S S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.252 108.8 14.3 -56.7 146.2 23.7 -2.0 2.2 95 95 A a 0 0 20 1,-0.2 -2,-0.1 -14,-0.1 -10,-0.0 0.880 360.0 360.0 62.7 46.5 24.7 0.8 4.4 96 96 A S 0 0 86 -3,-0.5 -1,-0.2 -12,-0.1 -50,-0.0 -0.599 360.0 360.0 -94.2 360.0 27.8 1.7 2.4