==== 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 SIGNALING PROTEIN 29-OCT-01 1K9P . COMPND 2 MOLECULE: S100A6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.OTTERBEIN,R.DOMINGUEZ . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 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 . 4 4.5 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 53.9 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 1 1 0 0 1 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 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 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 2 A A 0 0 120 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.7 -9.0 -7.5 46.7 2 3 A C > - 0 0 81 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.281 360.0-101.7 -62.9 156.3 -7.3 -5.2 49.2 3 4 A P H > S+ 0 0 112 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.888 122.0 45.5 -49.9 -47.4 -6.2 -1.8 47.8 4 5 A L H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 111.5 52.8 -68.3 -34.2 -2.5 -2.7 47.4 5 6 A D H > S+ 0 0 99 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.890 110.2 49.2 -65.9 -37.2 -3.4 -6.1 45.9 6 7 A Q H X S+ 0 0 118 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 109.3 52.4 -65.4 -43.5 -5.6 -4.2 43.4 7 8 A A H X S+ 0 0 42 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.923 111.4 45.6 -58.2 -48.3 -2.7 -1.8 42.6 8 9 A I H X S+ 0 0 82 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.882 109.6 54.7 -64.9 -39.8 -0.3 -4.7 42.0 9 10 A G H X S+ 0 0 41 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 110.3 46.8 -60.9 -39.7 -2.8 -6.6 39.8 10 11 A L H X S+ 0 0 104 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.891 109.8 53.3 -69.0 -40.0 -3.2 -3.5 37.6 11 12 A L H X S+ 0 0 58 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.908 113.2 43.9 -59.5 -44.0 0.6 -2.9 37.4 12 13 A V H X S+ 0 0 47 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 112.2 53.0 -69.1 -41.1 1.0 -6.5 36.2 13 14 A A H X S+ 0 0 54 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.959 111.5 44.5 -60.1 -52.5 -2.0 -6.3 33.8 14 15 A I H X S+ 0 0 44 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.881 111.7 54.4 -62.1 -36.0 -0.7 -3.2 32.1 15 16 A F H >X S+ 0 0 4 -4,-1.7 4,-3.0 -5,-0.3 3,-0.7 0.960 110.6 45.2 -59.9 -52.7 2.8 -4.6 31.9 16 17 A H H 3X S+ 0 0 88 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.767 102.5 65.6 -63.6 -28.4 1.6 -7.8 30.1 17 18 A K H 3< S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.881 117.6 26.7 -62.4 -36.3 -0.6 -5.8 27.8 18 19 A Y H X< S+ 0 0 6 -4,-1.2 3,-1.0 -3,-0.7 4,-0.4 0.797 118.1 56.5 -96.3 -32.7 2.6 -4.3 26.3 19 20 A S H 3< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.2 8,-0.3 0.768 102.4 59.0 -71.7 -23.7 5.2 -7.0 27.0 20 21 A G T 3< S+ 0 0 51 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.560 85.1 81.5 -82.1 -6.4 3.1 -9.6 25.1 21 22 A R S < S+ 0 0 134 -3,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.841 101.1 17.0 -68.6 -36.9 3.1 -7.6 21.9 22 23 A E S S- 0 0 129 -3,-0.5 -1,-0.2 -4,-0.4 5,-0.2 -0.988 111.5 -39.7-145.1 135.3 6.5 -8.8 20.6 23 24 A G S S+ 0 0 80 -2,-0.4 2,-0.2 -3,-0.1 5,-0.0 -0.293 110.9 22.4 61.9-133.3 8.9 -11.6 21.5 24 25 A D > - 0 0 79 1,-0.1 3,-1.2 -2,-0.1 -2,-0.2 -0.497 63.0-145.4 -71.9 129.9 9.3 -12.6 25.1 25 26 A K T 3 S+ 0 0 105 1,-0.2 -6,-0.1 -2,-0.2 -5,-0.1 0.465 92.6 74.6 -76.2 -0.4 6.5 -11.6 27.5 26 27 A H T 3 S+ 0 0 111 -7,-0.1 43,-0.6 -6,-0.1 2,-0.3 0.535 103.7 27.9 -89.2 -6.3 9.0 -11.0 30.2 27 28 A T E < -A 68 0A 22 -3,-1.2 2,-0.3 -8,-0.3 -5,-0.2 -0.930 56.7-163.1-146.1 169.1 10.2 -7.7 28.7 28 29 A L E -A 67 0A 2 39,-1.4 39,-2.0 -2,-0.3 -9,-0.1 -0.959 33.1-103.3-149.6 154.0 9.2 -4.8 26.5 29 30 A S E > -A 66 0A 19 -2,-0.3 4,-2.2 37,-0.2 37,-0.2 -0.363 28.2-114.3 -79.0 161.9 11.4 -2.2 24.8 30 31 A K H > S+ 0 0 42 35,-1.9 4,-1.7 32,-0.5 33,-0.2 0.777 120.6 57.0 -66.8 -23.9 11.9 1.3 26.0 31 32 A K H > S+ 0 0 112 32,-1.9 4,-1.8 34,-0.2 -1,-0.2 0.919 109.0 45.1 -69.3 -44.1 10.1 2.5 22.9 32 33 A E H > S+ 0 0 18 31,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.841 110.4 55.0 -69.1 -32.4 7.1 0.3 23.9 33 34 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.869 106.0 51.5 -68.1 -36.5 7.4 1.6 27.5 34 35 A K H X S+ 0 0 40 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.917 110.9 48.1 -65.5 -42.6 7.1 5.2 26.2 35 36 A E H X S+ 0 0 65 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.930 109.7 53.4 -61.4 -46.1 4.0 4.3 24.3 36 37 A L H X S+ 0 0 4 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.926 109.8 47.2 -54.5 -50.0 2.6 2.5 27.4 37 38 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 6,-0.3 0.922 112.7 48.6 -60.1 -46.2 3.1 5.7 29.5 38 39 A Q H < S+ 0 0 85 -4,-2.2 5,-0.3 1,-0.2 -1,-0.2 0.823 120.9 35.9 -65.8 -31.6 1.5 8.0 27.0 39 40 A K H < S+ 0 0 151 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.831 119.0 45.4 -91.0 -35.6 -1.5 5.8 26.5 40 41 A E H < S+ 0 0 63 -4,-3.2 2,-0.4 -5,-0.3 -3,-0.2 0.565 109.9 54.8 -88.4 -9.4 -2.1 4.4 29.9 41 42 A L S < S- 0 0 54 -4,-1.3 2,-2.4 -5,-0.3 3,-0.3 -0.950 81.3-124.2-124.8 145.0 -1.8 7.6 31.9 42 43 A T + 0 0 130 -2,-0.4 3,-0.2 1,-0.2 -4,-0.1 -0.498 68.3 131.5 -82.9 70.4 -3.6 11.0 31.5 43 44 A I >> + 0 0 1 -2,-2.4 3,-2.1 -5,-0.3 4,-0.9 0.430 26.6 106.8-103.8 -2.7 -0.1 12.5 31.1 44 45 A G T 34 S+ 0 0 59 -3,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.776 79.5 49.2 -47.9 -37.6 -0.8 14.6 28.0 45 46 A S T 34 S+ 0 0 100 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.586 114.3 47.3 -81.5 -9.1 -0.9 17.9 29.8 46 47 A K T X4 S+ 0 0 51 -3,-2.1 3,-2.0 1,-0.1 6,-0.2 0.484 76.0 99.9-111.0 -2.7 2.3 17.2 31.6 47 48 A L T 3< S+ 0 0 41 -4,-0.9 -1,-0.1 -3,-0.3 9,-0.1 0.666 83.7 53.0 -60.0 -18.0 4.6 16.0 28.8 48 49 A Q T 3 S+ 0 0 174 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.493 78.3 119.4 -94.3 -5.8 6.4 19.4 28.5 49 50 A D S <> S- 0 0 73 -3,-2.0 4,-3.0 1,-0.1 5,-0.3 -0.400 76.1-119.2 -59.3 133.7 7.2 19.6 32.2 50 51 A A H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.857 108.4 40.0 -44.3 -49.0 11.0 19.8 32.5 51 52 A E H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 116.5 47.1 -74.9 -38.9 11.4 16.6 34.5 52 53 A I H > S+ 0 0 1 -6,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 108.7 57.1 -68.7 -38.3 8.8 14.4 32.7 53 54 A A H X S+ 0 0 8 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.870 105.7 50.4 -59.8 -36.8 10.2 15.5 29.4 54 55 A R H X S+ 0 0 127 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.852 109.6 49.9 -71.6 -32.7 13.7 14.2 30.4 55 56 A L H X S+ 0 0 36 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.941 113.5 46.5 -67.7 -45.5 12.3 10.9 31.4 56 57 A M H X S+ 0 0 12 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.849 112.5 50.0 -63.5 -37.0 10.5 10.6 28.1 57 58 A E H X S+ 0 0 66 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.894 105.3 56.6 -70.0 -39.0 13.5 11.7 26.2 58 59 A D H X S+ 0 0 68 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.883 106.3 51.7 -59.4 -37.9 15.7 9.1 28.0 59 60 A L H < S+ 0 0 2 -4,-1.6 3,-0.2 2,-0.2 -1,-0.2 0.910 110.6 47.8 -65.0 -41.8 13.3 6.4 26.8 60 61 A D H >< S+ 0 0 71 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.927 109.7 51.8 -63.8 -46.4 13.6 7.7 23.2 61 62 A R H 3< S+ 0 0 188 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.720 121.0 34.8 -63.5 -22.0 17.4 7.8 23.3 62 63 A N T >< S+ 0 0 46 -4,-1.1 3,-2.3 -3,-0.2 -32,-0.5 -0.026 78.5 141.6-121.6 29.0 17.4 4.2 24.6 63 64 A K T < + 0 0 96 -3,-1.6 -32,-1.9 1,-0.3 -31,-0.3 0.668 68.5 49.0 -45.0 -31.2 14.4 3.0 22.6 64 65 A D T 3 S+ 0 0 121 -34,-0.2 -1,-0.3 -35,-0.2 2,-0.2 0.452 83.6 106.7 -95.7 0.9 15.8 -0.5 21.7 65 66 A Q S < S- 0 0 95 -3,-2.3 -35,-1.9 -6,-0.2 -34,-0.2 -0.551 70.0-123.1 -78.8 145.4 16.9 -1.5 25.2 66 67 A E E -A 29 0A 130 -37,-0.2 2,-0.4 -2,-0.2 -37,-0.2 -0.515 19.0-155.2 -86.4 155.9 14.7 -4.1 26.9 67 68 A V E -A 28 0A 5 -39,-2.0 -39,-1.4 -2,-0.2 2,-0.1 -0.998 4.8-152.7-133.3 128.0 13.0 -3.6 30.3 68 69 A N E > -A 27 0A 64 -2,-0.4 4,-2.2 -41,-0.2 -41,-0.2 -0.373 37.8 -93.3 -92.0 177.8 12.0 -6.4 32.6 69 70 A F H > S+ 0 0 77 -43,-0.6 4,-2.5 1,-0.2 5,-0.2 0.929 123.7 52.0 -55.9 -50.6 9.1 -6.2 35.1 70 71 A Q H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 112.8 45.0 -52.2 -49.1 11.3 -5.1 38.0 71 72 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 110.2 55.4 -65.7 -35.1 12.7 -2.2 36.0 72 73 A Y H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 110.7 44.5 -62.7 -46.5 9.3 -1.3 34.7 73 74 A V H X S+ 0 0 44 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.913 111.9 52.0 -66.1 -43.1 7.9 -0.9 38.2 74 75 A T H X S+ 0 0 89 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.912 109.2 51.9 -58.0 -43.0 11.0 1.0 39.4 75 76 A F H X S+ 0 0 25 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.921 105.3 54.1 -59.8 -46.3 10.5 3.3 36.4 76 77 A L H X S+ 0 0 33 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.858 107.0 52.5 -58.2 -35.4 6.8 3.9 37.4 77 78 A G H X S+ 0 0 37 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.936 109.2 48.8 -65.5 -45.0 8.0 4.9 40.8 78 79 A A H X S+ 0 0 41 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.915 113.8 46.3 -60.0 -45.0 10.4 7.4 39.3 79 80 A L H >X S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.2 4,-1.2 0.940 107.3 57.4 -63.1 -47.1 7.7 8.9 37.1 80 81 A A H 3X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.3 3,-0.4 0.842 97.8 62.2 -52.6 -39.5 5.2 9.1 39.9 81 82 A L H 3< S+ 0 0 111 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 117.2 28.5 -57.3 -34.8 7.5 11.3 41.9 82 83 A I H << S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.422 129.1 41.5-107.2 -0.4 7.4 14.0 39.2 83 84 A Y H < S+ 0 0 50 -4,-1.2 2,-0.4 -3,-0.4 -3,-0.2 0.718 91.7 83.8-114.8 -36.5 3.9 13.2 37.9 84 85 A N >< - 0 0 68 -4,-2.8 3,-0.9 -5,-0.3 4,-0.2 -0.604 63.3-148.5 -80.1 125.9 1.7 12.5 41.0 85 86 A E G > S+ 0 0 114 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.842 97.1 59.4 -59.1 -37.1 0.2 15.5 42.7 86 87 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.781 101.3 55.9 -64.8 -26.4 0.2 13.8 46.1 87 88 A L G < S+ 0 0 81 -3,-0.9 -1,-0.3 -7,-0.3 -2,-0.2 0.392 82.3 108.2 -88.6 4.4 4.0 13.4 45.8 88 89 A K < 0 0 103 -3,-1.5 -6,-0.1 1,-0.2 -3,-0.0 -0.507 360.0 360.0 -77.5 151.9 4.6 17.1 45.3 89 90 A G 0 0 143 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.568 360.0 360.0 76.4 360.0 6.2 18.8 48.3