==== 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 25-OCT-01 1K8U . 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) . 6188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 74.2 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 . 12 13.5 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 0 119 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 -8.9 -7.5 46.8 2 3 A X > - 0 0 137 1,-0.1 4,-2.6 4,-0.0 3,-0.5 -0.363 360.0 -99.6 -57.1 155.8 -7.4 -5.2 49.4 3 4 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 122.3 46.1 -51.1 -46.9 -6.3 -1.8 47.9 4 5 A L H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.871 112.1 51.8 -69.8 -34.5 -2.6 -2.6 47.6 5 6 A D H > S+ 0 0 104 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.924 110.0 50.7 -64.2 -36.9 -3.4 -6.1 46.1 6 7 A Q H X S+ 0 0 115 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.926 109.6 50.4 -62.1 -44.1 -5.6 -4.2 43.6 7 8 A A H X S+ 0 0 41 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.930 112.0 46.5 -60.1 -49.4 -2.8 -1.8 42.8 8 9 A I H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.933 109.9 53.4 -62.5 -41.8 -0.3 -4.6 42.2 9 10 A G H X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.906 110.0 48.2 -60.2 -39.5 -2.7 -6.6 40.1 10 11 A L H X S+ 0 0 101 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.925 109.6 52.4 -66.7 -41.6 -3.2 -3.5 37.9 11 12 A L H X S+ 0 0 57 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.906 112.7 45.5 -57.1 -45.3 0.5 -2.9 37.6 12 13 A V H X S+ 0 0 47 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.911 111.8 51.4 -65.2 -43.5 1.0 -6.5 36.5 13 14 A A H X S+ 0 0 55 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.2 46.4 -61.1 -45.7 -1.9 -6.3 34.0 14 15 A I H X S+ 0 0 46 -4,-2.7 4,-1.2 1,-0.2 5,-0.2 0.914 110.9 53.5 -67.6 -37.0 -0.7 -3.2 32.3 15 16 A F H >X S+ 0 0 3 -4,-2.0 4,-3.3 -5,-0.3 3,-0.7 0.945 111.1 46.2 -55.9 -53.3 2.9 -4.6 32.1 16 17 A H H 3X S+ 0 0 81 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.818 101.5 65.6 -65.8 -25.5 1.5 -7.7 30.4 17 18 A K H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.7 24.9 -59.2 -39.9 -0.7 -5.7 28.0 18 19 A Y H X< S+ 0 0 2 -4,-1.2 3,-1.2 -3,-0.7 4,-0.4 0.831 117.9 57.8 -94.6 -38.0 2.5 -4.3 26.5 19 20 A S H 3< S+ 0 0 0 -4,-3.3 3,-0.5 1,-0.3 8,-0.3 0.784 102.8 57.9 -65.2 -28.1 5.1 -7.1 27.3 20 21 A G T 3< S+ 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.704 84.9 83.3 -75.7 -12.3 3.0 -9.6 25.4 21 22 A R S < S+ 0 0 134 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.2 0.838 102.1 15.3 -65.1 -35.3 3.1 -7.6 22.1 22 23 A E S S- 0 0 128 -3,-0.5 5,-0.2 -4,-0.4 -1,-0.2 -0.998 111.6 -42.5-144.0 138.7 6.4 -8.9 21.0 23 24 A G S S+ 0 0 79 -2,-0.4 2,-0.3 -3,-0.1 5,-0.0 -0.141 109.2 29.0 62.2-132.8 8.6 -11.8 21.9 24 25 A D > - 0 0 83 1,-0.1 3,-1.6 2,-0.0 -2,-0.2 -0.562 61.8-147.1 -62.8 128.8 9.1 -12.7 25.6 25 26 A K T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.3 -6,-0.1 0.599 94.4 71.1 -74.3 -7.8 6.2 -11.7 27.9 26 27 A H T 3 S+ 0 0 114 -7,-0.1 43,-0.6 -6,-0.1 2,-0.3 0.516 103.0 34.3 -84.7 -8.2 8.8 -11.1 30.6 27 28 A T E < -A 68 0A 29 -3,-1.6 2,-0.3 -8,-0.3 -5,-0.2 -0.959 56.1-165.7-141.5 164.5 10.2 -7.8 29.0 28 29 A L E -A 67 0A 0 39,-1.9 39,-2.1 -2,-0.3 -9,-0.1 -0.979 31.2-108.7-141.7 153.5 9.1 -4.8 26.9 29 30 A S E > -A 66 0A 13 -2,-0.3 4,-2.3 37,-0.2 37,-0.2 -0.390 27.1-114.3 -77.5 161.9 11.3 -2.3 25.0 30 31 A K H > S+ 0 0 45 35,-2.2 4,-2.3 32,-0.4 33,-0.2 0.850 119.6 57.8 -66.8 -28.5 11.8 1.3 26.2 31 32 A K H > S+ 0 0 118 32,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.930 109.0 45.2 -59.3 -45.9 9.9 2.4 23.0 32 33 A E H > S+ 0 0 14 31,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.872 109.4 54.8 -65.5 -38.9 7.0 0.3 24.2 33 34 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.884 106.2 52.5 -62.6 -40.3 7.3 1.6 27.8 34 35 A K H X S+ 0 0 39 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 110.7 47.5 -60.4 -43.5 7.0 5.2 26.4 35 36 A E H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.916 109.6 54.0 -61.0 -44.6 3.9 4.2 24.6 36 37 A L H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.940 110.0 46.7 -56.2 -50.0 2.5 2.5 27.7 37 38 A I H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 6,-0.2 0.937 113.6 47.6 -61.2 -44.1 3.0 5.7 29.8 38 39 A Q H < S+ 0 0 79 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.830 121.2 36.5 -70.1 -29.8 1.4 7.9 27.1 39 40 A K H < S+ 0 0 146 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.823 119.9 43.6 -90.3 -28.7 -1.6 5.7 26.6 40 41 A E H < S+ 0 0 60 -4,-2.9 2,-0.4 -5,-0.3 -2,-0.2 0.536 108.9 54.3-100.4 -11.2 -2.2 4.4 30.2 41 42 A L S < S- 0 0 55 -4,-1.3 2,-2.2 -5,-0.3 3,-0.3 -0.952 82.6-120.1-118.8 150.3 -1.8 7.6 32.2 42 43 A T + 0 0 129 -2,-0.4 3,-0.2 1,-0.2 -4,-0.1 -0.550 69.6 130.6 -84.8 75.0 -3.6 11.0 31.8 43 44 A I >> + 0 0 1 -2,-2.2 3,-2.2 -5,-0.3 4,-0.7 0.408 26.3 105.5-109.9 -0.2 -0.2 12.6 31.3 44 45 A G G >4 S+ 0 0 60 1,-0.3 3,-0.5 -3,-0.3 4,-0.2 0.807 80.7 50.9 -58.9 -30.2 -0.9 14.6 28.1 45 46 A S G 34 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.605 115.1 44.5 -78.8 -10.0 -1.0 17.9 30.0 46 47 A K G X4 S+ 0 0 71 -3,-2.2 3,-1.9 1,-0.1 -1,-0.2 0.369 75.7 102.7-116.5 -0.6 2.3 17.2 31.7 47 48 A L T << S+ 0 0 46 -4,-0.7 9,-0.1 -3,-0.5 -1,-0.1 0.727 84.9 50.5 -64.1 -19.5 4.6 15.9 28.9 48 49 A Q T 3 S+ 0 0 182 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.360 78.5 122.6 -98.0 4.5 6.4 19.2 28.6 49 50 A D S <> S- 0 0 69 -3,-1.9 4,-2.8 1,-0.1 5,-0.3 -0.359 75.8-115.4 -59.6 142.3 7.1 19.5 32.4 50 51 A A H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.909 109.6 37.2 -55.0 -47.3 10.8 19.8 32.7 51 52 A E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 116.8 49.9 -75.8 -39.8 11.4 16.6 34.6 52 53 A I H > S+ 0 0 1 1,-0.2 4,-2.4 30,-0.2 5,-0.2 0.926 106.8 56.1 -65.1 -38.5 8.8 14.4 32.9 53 54 A A H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.875 105.3 52.5 -63.2 -33.9 10.1 15.5 29.4 54 55 A R H X S+ 0 0 127 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.3 0.886 107.6 50.9 -70.8 -35.7 13.6 14.2 30.4 55 56 A L H X S+ 0 0 44 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.934 112.4 47.1 -65.4 -41.6 12.2 10.8 31.4 56 57 A X H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 111.1 51.4 -66.9 -38.7 10.4 10.5 28.1 57 58 A E H X S+ 0 0 87 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.859 106.8 54.5 -63.2 -39.9 13.6 11.6 26.2 58 59 A D H X S+ 0 0 86 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.910 106.3 51.4 -64.2 -36.7 15.6 9.0 28.0 59 60 A L H < S+ 0 0 6 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.942 112.4 45.9 -62.0 -47.4 13.2 6.3 26.9 60 61 A D H >< S+ 0 0 72 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.929 110.3 53.3 -65.6 -36.5 13.5 7.5 23.3 61 62 A R H 3< S+ 0 0 210 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.778 121.6 32.4 -67.3 -24.9 17.3 7.7 23.5 62 63 A N T >< S+ 0 0 46 -4,-1.5 3,-2.3 -3,-0.3 -32,-0.4 -0.074 81.1 141.0-118.3 34.2 17.4 4.1 24.8 63 64 A K T < + 0 0 104 -3,-1.5 -32,-2.3 1,-0.3 -31,-0.3 0.688 67.7 48.8 -57.4 -29.6 14.4 2.9 22.8 64 65 A D T 3 S+ 0 0 126 -34,-0.2 -1,-0.3 -35,-0.2 2,-0.2 0.415 85.5 106.3 -92.6 -4.8 15.7 -0.6 21.9 65 66 A Q < - 0 0 95 -3,-2.3 -35,-2.2 -6,-0.2 -34,-0.2 -0.563 69.7-124.3 -72.9 142.9 16.8 -1.5 25.4 66 67 A E E -A 29 0A 89 -37,-0.2 2,-0.4 -2,-0.2 -37,-0.2 -0.570 17.5-154.8 -87.3 157.1 14.6 -4.1 27.1 67 68 A V E -A 28 0A 5 -39,-2.1 -39,-1.9 -2,-0.2 2,-0.1 -0.999 5.0-151.3-132.7 129.1 12.9 -3.6 30.5 68 69 A N E > -A 27 0A 64 -2,-0.4 4,-2.4 -41,-0.2 5,-0.2 -0.303 38.2 -93.3 -91.1 178.3 11.9 -6.4 32.9 69 70 A F H > S+ 0 0 77 -43,-0.6 4,-2.7 1,-0.2 5,-0.2 0.941 124.1 51.8 -60.5 -45.1 9.1 -6.2 35.4 70 71 A Q H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 111.8 46.3 -58.2 -44.9 11.3 -5.1 38.3 71 72 A E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.867 110.4 54.0 -69.6 -35.5 12.7 -2.2 36.2 72 73 A Y H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 110.5 46.4 -59.1 -49.0 9.2 -1.2 34.9 73 74 A V H X S+ 0 0 44 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.935 111.7 50.8 -62.6 -46.4 8.0 -1.0 38.5 74 75 A T H X S+ 0 0 89 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.0 51.2 -54.4 -46.1 11.1 1.0 39.6 75 76 A F H X S+ 0 0 33 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.905 105.6 54.5 -59.9 -42.9 10.5 3.4 36.6 76 77 A L H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.878 107.2 52.0 -60.7 -35.8 6.8 3.9 37.6 77 78 A G H X S+ 0 0 38 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.940 109.4 49.1 -63.5 -42.8 8.1 4.9 41.0 78 79 A A H X S+ 0 0 41 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.915 114.0 45.8 -61.2 -45.4 10.4 7.5 39.5 79 80 A L H >X S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.2 4,-1.1 0.917 106.7 58.3 -67.1 -44.1 7.7 8.9 37.3 80 81 A A H >X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.3 3,-0.7 0.892 98.4 61.0 -53.3 -39.7 5.2 9.0 40.2 81 82 A L H 3< S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.828 116.1 31.2 -57.6 -30.4 7.5 11.3 42.1 82 83 A I H << S+ 0 0 29 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.396 129.8 36.5-107.6 0.6 7.3 13.9 39.3 83 84 A Y H << S+ 0 0 45 -4,-1.1 2,-0.4 -3,-0.7 -3,-0.2 0.699 91.5 84.1-121.1 -41.5 3.8 13.2 38.1 84 85 A N >< - 0 0 74 -4,-2.5 3,-1.2 -5,-0.3 4,-0.2 -0.601 65.2-144.7 -78.6 130.5 1.5 12.4 41.0 85 86 A E G > S+ 0 0 127 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.868 96.6 60.5 -59.8 -36.7 0.0 15.3 42.9 86 87 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.1 -5,-0.1 0.725 98.9 59.9 -66.9 -18.6 0.1 13.8 46.3 87 88 A L G < S+ 0 0 82 -3,-1.2 -1,-0.3 -7,-0.3 -2,-0.2 0.414 78.8 112.7 -90.8 3.7 3.9 13.4 46.0 88 89 A K < 0 0 105 -3,-1.6 -6,-0.1 1,-0.2 -3,-0.0 -0.399 360.0 360.0 -73.3 144.4 4.4 17.2 45.6 89 90 A G 0 0 146 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.471 360.0 360.0 80.1 360.0 6.2 18.7 48.6