==== 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 26-OCT-01 1K96 . 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) . 6246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 75.3 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 2.2 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 . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 59.6 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 1 0 0 0 0 0 2 0 0 0 0 0 1 1 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 2 A A 0 0 109 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.7 10.6 -12.2 3.0 2 3 A C >> - 0 0 81 1,-0.1 4,-2.1 4,-0.0 3,-0.5 -0.375 360.0 -94.5 -73.0 157.5 8.9 -11.0 6.2 3 4 A P H 3> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.798 123.3 43.0 -40.2 -51.3 5.1 -10.7 6.1 4 5 A L H 3> S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 112.5 54.7 -70.9 -33.1 4.8 -7.0 5.2 5 6 A D H <> S+ 0 0 89 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.899 107.8 50.0 -65.6 -38.3 7.6 -7.3 2.6 6 7 A Q H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.904 109.9 49.7 -66.5 -41.4 5.7 -10.1 0.9 7 8 A A H X S+ 0 0 44 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.935 113.6 46.2 -62.1 -46.8 2.5 -8.0 0.8 8 9 A I H X S+ 0 0 82 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 109.3 55.8 -62.5 -39.6 4.4 -5.1 -0.7 9 10 A G H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.868 105.2 52.0 -61.1 -36.8 6.1 -7.5 -3.1 10 11 A L H X S+ 0 0 116 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 108.2 51.1 -65.2 -44.2 2.7 -8.6 -4.4 11 12 A L H X S+ 0 0 72 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.904 113.3 45.7 -59.2 -43.1 1.7 -5.0 -5.0 12 13 A V H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 111.1 51.5 -68.4 -44.0 4.8 -4.4 -6.9 13 14 A A H X S+ 0 0 62 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.890 107.9 52.6 -61.4 -40.7 4.6 -7.6 -9.0 14 15 A I H X S+ 0 0 48 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.909 106.6 53.8 -62.9 -42.2 1.0 -6.8 -10.0 15 16 A F H >X S+ 0 0 1 -4,-1.6 4,-3.0 1,-0.2 3,-0.8 0.957 113.2 41.4 -55.9 -52.5 2.0 -3.4 -11.3 16 17 A H H 3X S+ 0 0 78 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.747 100.9 70.3 -70.8 -24.3 4.7 -4.7 -13.5 17 18 A K H 3< S+ 0 0 117 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.869 117.9 23.5 -58.9 -35.4 2.6 -7.7 -14.7 18 19 A Y H X< S+ 0 0 3 -4,-1.1 3,-1.5 -3,-0.8 4,-0.4 0.832 117.8 59.0 -98.9 -40.0 0.6 -5.1 -16.6 19 20 A S H 3< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 8,-0.4 0.810 100.3 58.5 -62.7 -30.8 2.9 -2.1 -17.0 20 21 A G T 3< S+ 0 0 28 -4,-1.7 -1,-0.3 1,-0.2 5,-0.1 0.433 85.2 82.4 -81.6 3.5 5.5 -4.1 -19.0 21 22 A R S < S+ 0 0 120 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.909 99.8 5.0 -73.6 -43.5 3.0 -5.2 -21.7 22 23 A E S S- 0 0 90 -3,-0.5 5,-0.2 -4,-0.4 -1,-0.2 -0.945 109.1 -14.2-143.6 161.5 3.2 -2.1 -23.9 23 24 A G S S+ 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 5,-0.0 -0.192 121.1 20.1 50.6-130.0 4.9 1.3 -24.4 24 25 A D S > S- 0 0 87 1,-0.2 3,-1.4 2,-0.1 -2,-0.3 -0.582 70.5-150.9 -70.8 121.4 6.8 2.3 -21.3 25 26 A K T 3 S+ 0 0 143 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.1 0.659 94.3 56.2 -67.7 -13.9 7.4 -0.8 -19.3 26 27 A H T 3 S+ 0 0 126 -6,-0.1 43,-0.5 -7,-0.1 2,-0.3 0.391 103.9 55.4 -99.5 1.4 7.4 1.3 -16.2 27 28 A T S < S- 0 0 16 -3,-1.4 2,-0.6 -8,-0.4 41,-0.2 -0.959 77.6-120.0-135.3 154.8 4.0 2.9 -16.6 28 29 A L B -A 67 0A 1 39,-2.9 39,-2.3 -2,-0.3 -9,-0.1 -0.828 24.7-151.5 -94.6 120.1 0.4 1.8 -17.0 29 30 A S > - 0 0 18 -2,-0.6 4,-3.0 37,-0.2 5,-0.3 -0.283 37.7 -95.8 -77.5 174.1 -1.3 2.9 -20.2 30 31 A K H > S+ 0 0 57 35,-0.3 4,-2.5 1,-0.2 5,-0.2 0.928 128.0 48.0 -57.0 -45.0 -5.1 3.3 -20.1 31 32 A K H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 113.9 44.8 -61.7 -47.4 -5.4 -0.2 -21.6 32 33 A E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 114.7 48.8 -65.5 -42.4 -3.0 -1.8 -19.1 33 34 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.898 109.3 52.0 -65.9 -41.0 -4.6 0.0 -16.1 34 35 A K H X S+ 0 0 61 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.917 110.7 48.0 -62.6 -42.3 -8.1 -1.0 -17.1 35 36 A E H X S+ 0 0 60 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.912 111.2 50.8 -64.2 -42.3 -7.1 -4.6 -17.4 36 37 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.937 112.3 46.7 -60.3 -47.4 -5.4 -4.5 -14.0 37 38 A I H X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 7,-0.3 0.926 115.5 45.3 -61.5 -45.7 -8.5 -2.9 -12.4 38 39 A Q H < S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.856 124.0 31.1 -69.5 -35.0 -10.8 -5.4 -13.9 39 40 A K H < S+ 0 0 143 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.694 123.0 41.6 -98.5 -20.4 -8.8 -8.5 -13.2 40 41 A E H < S+ 0 0 65 -4,-2.5 2,-0.4 -5,-0.3 -3,-0.2 0.581 107.7 56.6-105.0 -10.7 -7.0 -7.8 -10.0 41 42 A L X - 0 0 46 -4,-1.1 4,-1.4 -5,-0.4 -1,-0.1 -0.978 64.9-143.6-128.1 136.7 -9.7 -6.0 -7.9 42 43 A T H > S+ 0 0 101 -2,-0.4 4,-0.6 1,-0.2 3,-0.5 0.919 107.2 48.1 -58.9 -46.2 -13.1 -7.1 -6.8 43 44 A I H >> S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.833 104.2 62.6 -65.5 -30.0 -14.5 -3.6 -7.2 44 45 A G H 34 S+ 0 0 0 -7,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.885 100.3 52.3 -61.6 -37.8 -12.9 -3.3 -10.6 45 46 A S H 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.662 108.4 52.2 -72.2 -16.8 -15.0 -6.2 -11.8 46 47 A K H << S+ 0 0 133 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.694 91.5 94.1 -91.0 -22.2 -18.1 -4.4 -10.6 47 48 A L < - 0 0 32 -4,-1.3 2,-0.2 -3,-0.3 -3,-0.0 -0.417 68.8-135.3 -75.2 145.4 -17.4 -1.1 -12.4 48 49 A Q >> - 0 0 148 -2,-0.1 4,-2.3 1,-0.1 3,-0.6 -0.617 32.7 -97.0 -96.4 159.0 -18.7 -0.3 -15.9 49 50 A D H 3> S+ 0 0 102 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.823 122.2 51.3 -41.2 -48.3 -16.6 1.1 -18.7 50 51 A A H 3> S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 111.5 47.2 -59.8 -45.6 -17.7 4.7 -18.1 51 52 A E H <> S+ 0 0 86 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.891 111.9 50.3 -63.9 -41.7 -16.9 4.5 -14.4 52 53 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.925 106.6 55.2 -63.8 -43.9 -13.5 3.0 -15.1 53 54 A A H X S+ 0 0 48 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.912 111.8 43.5 -56.4 -43.6 -12.6 5.6 -17.6 54 55 A R H X S+ 0 0 138 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.893 111.6 53.6 -70.9 -37.9 -13.2 8.4 -15.1 55 56 A L H X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.929 107.2 52.1 -61.2 -43.8 -11.4 6.5 -12.3 56 57 A M H X S+ 0 0 14 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.855 106.5 54.0 -62.5 -33.6 -8.3 6.2 -14.5 57 58 A E H < S+ 0 0 98 -4,-1.3 6,-0.2 -5,-0.2 -1,-0.2 0.938 108.4 49.0 -64.8 -45.9 -8.4 9.9 -15.2 58 59 A D H < S+ 0 0 101 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.855 109.9 51.6 -62.1 -35.9 -8.4 10.7 -11.4 59 60 A L H < S+ 0 0 18 -4,-2.0 2,-2.2 1,-0.2 -1,-0.2 0.830 92.5 78.6 -70.6 -30.7 -5.5 8.3 -10.9 60 61 A D >< + 0 0 0 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 -0.507 63.9 174.6 -79.3 75.4 -3.5 10.0 -13.6 61 62 A R T 3 S+ 0 0 142 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.862 76.4 39.9 -51.3 -48.5 -2.5 12.9 -11.4 62 63 A N T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.326 105.4-129.6 -88.0 9.8 -0.2 14.6 -13.8 63 64 A K < + 0 0 108 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.879 64.8 134.0 43.2 56.6 -2.6 13.9 -16.7 64 65 A D S S- 0 0 78 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.150 77.5-110.9-114.4 15.3 -0.0 12.4 -19.1 65 66 A Q S S+ 0 0 113 1,-0.2 2,-0.3 -5,-0.2 -35,-0.3 0.321 91.5 92.4 72.7 -5.7 -2.3 9.4 -19.9 66 67 A E - 0 0 53 -37,-0.1 2,-0.6 -36,-0.1 -2,-0.4 -0.863 66.8-142.5-118.1 151.2 0.0 7.0 -18.0 67 68 A V B -A 28 0A 4 -39,-2.3 -39,-2.9 -2,-0.3 -7,-0.1 -0.951 22.0-163.0-114.8 111.4 -0.1 5.8 -14.4 68 69 A N > - 0 0 51 -2,-0.6 4,-2.3 -41,-0.2 5,-0.2 -0.227 38.8 -91.0 -82.9-179.9 3.4 5.5 -13.0 69 70 A F H > S+ 0 0 76 -43,-0.5 4,-2.7 1,-0.2 5,-0.2 0.895 125.8 53.4 -61.4 -39.9 4.3 3.5 -9.9 70 71 A Q H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 110.9 45.9 -61.0 -44.9 3.9 6.6 -7.6 71 72 A E H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 112.4 52.2 -66.0 -35.9 0.4 7.2 -9.0 72 73 A Y H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 106.4 53.2 -65.5 -42.6 -0.4 3.5 -8.6 73 74 A V H X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.872 105.6 53.9 -61.3 -36.8 0.7 3.6 -4.9 74 75 A T H X S+ 0 0 70 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.914 108.5 50.0 -62.6 -41.7 -1.6 6.5 -4.3 75 76 A F H X S+ 0 0 13 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 49.7 -61.4 -46.3 -4.4 4.3 -5.7 76 77 A L H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.889 108.4 53.1 -60.5 -42.0 -3.4 1.4 -3.5 77 78 A G H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 109.3 48.4 -59.6 -46.7 -3.4 3.7 -0.4 78 79 A A H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 111.4 50.0 -60.3 -43.1 -6.9 4.9 -1.2 79 80 A L H X S+ 0 0 38 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 109.4 52.1 -63.7 -37.6 -8.1 1.3 -1.6 80 81 A A H X S+ 0 0 59 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.895 109.3 48.9 -66.2 -40.5 -6.5 0.3 1.7 81 82 A L H X S+ 0 0 123 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 112.5 48.4 -65.2 -41.6 -8.3 3.1 3.5 82 83 A I H X S+ 0 0 111 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.0 50.1 -62.6 -45.7 -11.6 2.1 2.0 83 84 A Y H X S+ 0 0 167 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 111.3 47.5 -58.2 -50.6 -10.9 -1.5 2.9 84 85 A N H < S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.9 49.0 -60.1 -43.3 -10.1 -0.7 6.5 85 86 A E H >X S+ 0 0 115 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.870 112.4 47.9 -65.2 -38.3 -13.2 1.5 6.8 86 87 A A H >< S+ 0 0 61 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.928 108.6 51.7 -69.1 -46.2 -15.5 -1.1 5.4 87 88 A L T 3< S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.469 109.3 56.7 -69.8 1.4 -14.2 -3.9 7.6 88 89 A K T <4 0 0 133 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.565 360.0 360.0-105.8 -17.4 -14.9 -1.4 10.4 89 90 A G << 0 0 126 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.2 0.776 360.0 360.0-115.9 360.0 -18.6 -0.9 9.6