==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 27-JUL-09 2WOS . COMPND 2 MOLECULE: PROTEIN S100-A7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.LEON,J.I.MURRAY,G.CRAGG,B.FARNELL,T.C.PACE,C.BOHNE, . 96 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 74.0 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 . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.5 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 0 175 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.1 34.1 17.4 -6.3 2 2 A N - 0 0 85 1,-0.1 2,-0.1 4,-0.1 0, 0.0 -0.311 360.0-121.5 -60.9 146.3 30.4 16.5 -5.2 3 3 A T > - 0 0 71 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.359 27.8 -98.4 -77.9 173.6 27.8 18.6 -6.8 4 4 A Q H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 126.1 50.1 -61.0 -39.0 25.2 20.8 -5.0 5 5 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 111.7 46.4 -67.5 -39.1 22.6 18.0 -5.2 6 6 A E H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 111.7 52.1 -69.2 -41.1 25.0 15.3 -3.9 7 7 A R H X S+ 0 0 137 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.851 108.4 51.9 -61.1 -36.1 26.1 17.7 -1.1 8 8 A S H X S+ 0 0 87 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.923 110.8 46.8 -68.1 -40.9 22.4 18.2 -0.2 9 9 A I H X S+ 0 0 98 -4,-2.1 4,-1.6 2,-0.2 3,-0.3 0.949 114.0 46.9 -66.3 -47.2 21.7 14.5 0.0 10 10 A I H X S+ 0 0 75 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.928 111.8 51.8 -57.5 -47.4 24.9 13.8 2.1 11 11 A G H X S+ 0 0 34 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.801 104.0 58.6 -60.8 -30.9 23.9 16.8 4.4 12 12 A M H X S+ 0 0 48 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.900 108.2 44.2 -63.5 -40.3 20.4 15.3 4.8 13 13 A I H X S+ 0 0 51 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.894 113.7 50.8 -68.2 -46.6 21.9 12.0 6.3 14 14 A D H X S+ 0 0 86 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.870 108.7 52.1 -60.6 -35.1 24.3 14.0 8.4 15 15 A M H >X S+ 0 0 26 -4,-2.2 3,-1.4 2,-0.2 4,-0.5 0.936 107.5 51.6 -66.7 -46.9 21.3 16.1 9.7 16 16 A F H >X S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.3 4,-0.8 0.904 108.2 53.4 -49.3 -46.1 19.4 12.9 10.6 17 17 A H H 3< S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.548 94.9 67.5 -75.3 -6.5 22.5 11.7 12.6 18 18 A K H << S+ 0 0 165 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.703 114.2 30.8 -72.3 -22.7 22.7 15.0 14.6 19 19 A Y H << S+ 0 0 27 -3,-1.7 8,-0.5 -4,-0.5 -2,-0.2 0.473 91.9 109.1-119.1 -10.4 19.4 13.8 16.3 20 20 A T < - 0 0 37 -4,-0.8 6,-0.2 6,-0.2 2,-0.1 -0.342 55.6-137.0 -68.4 153.0 19.3 10.0 16.4 21 21 A R > - 0 0 155 4,-2.9 3,-2.5 -2,-0.0 4,-0.2 -0.327 49.3 -76.7 -87.6-172.8 19.7 7.9 19.6 22 22 A R T 3 S+ 0 0 265 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.744 130.1 63.8 -67.3 -9.9 21.8 4.8 19.6 23 23 A D T 3 S- 0 0 73 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.264 116.3-110.8 -93.6 15.0 19.2 2.8 17.7 24 24 A D S < S+ 0 0 80 -3,-2.5 2,-0.3 1,-0.3 47,-0.3 0.727 84.7 110.5 64.6 29.2 19.6 5.1 14.6 25 25 A K - 0 0 59 -4,-0.2 -4,-2.9 45,-0.1 2,-0.5 -0.924 67.6-121.8-133.3 160.1 16.1 6.6 15.2 26 26 A I B -A 69 0A 0 43,-2.8 43,-2.7 -2,-0.3 -6,-0.2 -0.823 22.9-145.7-104.9 123.2 14.9 10.0 16.3 27 27 A D > - 0 0 32 -8,-0.5 4,-2.9 -2,-0.5 5,-0.2 -0.316 32.7 -94.8 -81.9 175.5 12.7 10.2 19.4 28 28 A K H > S+ 0 0 76 39,-0.4 4,-2.2 1,-0.2 5,-0.2 0.951 120.2 44.8 -62.6 -48.0 9.9 12.8 19.8 29 29 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.912 115.9 50.1 -60.9 -36.6 11.7 15.7 21.7 30 30 A S H > S+ 0 0 35 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.882 108.2 53.1 -71.7 -35.5 14.7 15.3 19.3 31 31 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.931 109.7 47.4 -63.4 -43.0 12.4 15.4 16.3 32 32 A L H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.908 112.5 49.8 -60.9 -41.3 10.8 18.7 17.5 33 33 A T H X S+ 0 0 60 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.923 108.9 52.9 -61.2 -49.1 14.3 20.2 18.2 34 34 A M H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.901 110.7 47.1 -51.8 -49.4 15.4 19.1 14.7 35 35 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 8,-0.2 0.926 113.5 47.4 -59.5 -45.8 12.3 20.9 13.2 36 36 A K H < S+ 0 0 131 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.8 41.9 -61.8 -35.2 12.9 24.1 15.2 37 37 A E H < S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.832 127.8 28.1 -83.5 -33.2 16.6 24.3 14.4 38 38 A N H < S+ 0 0 65 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.696 128.2 32.3-105.2 -24.2 16.4 23.3 10.7 39 39 A F X + 0 0 38 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 -0.226 67.5 135.9-129.8 44.9 12.9 24.5 9.4 40 40 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.866 76.9 47.6 -64.7 -29.2 12.2 27.6 11.5 41 41 A N H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 111.4 50.2 -76.7 -36.3 10.9 29.6 8.5 42 42 A F H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 113.0 47.6 -59.7 -46.6 8.8 26.8 7.3 43 43 A L H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 10,-0.2 0.904 109.8 52.2 -64.1 -44.4 7.4 26.6 10.9 44 44 A S H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.884 107.6 52.4 -61.2 -37.6 6.8 30.4 11.1 45 45 A A H X S+ 0 0 27 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.905 110.1 48.9 -62.7 -42.9 4.8 30.2 7.8 46 46 A a H ><>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 3,-0.6 0.927 109.1 52.1 -59.9 -45.0 2.6 27.5 9.2 47 47 A D H ><5S+ 0 0 90 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.909 105.0 56.2 -64.4 -40.4 2.0 29.5 12.4 48 48 A K H 3<5S+ 0 0 168 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.4 48.8 -56.0 -32.1 1.0 32.5 10.3 49 49 A K T <<5S- 0 0 109 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.297 125.5-104.5 -87.5 0.1 -1.7 30.3 8.7 50 50 A G T < 5S+ 0 0 70 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.624 81.4 127.5 81.9 16.4 -2.9 29.1 12.2 51 51 A T < - 0 0 60 -5,-2.8 2,-0.9 -6,-0.2 -1,-0.3 -0.903 46.6-158.5-105.4 129.7 -1.2 25.6 11.9 52 52 A N >> - 0 0 96 -2,-0.5 3,-1.5 1,-0.2 4,-0.5 -0.868 11.1-171.4-102.8 98.3 1.1 24.4 14.7 53 53 A Y H >> S+ 0 0 39 -2,-0.9 4,-1.4 1,-0.3 3,-0.6 0.806 77.7 59.2 -66.3 -20.1 3.0 21.9 12.7 54 54 A L H 34 S+ 0 0 22 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.657 86.8 75.5 -83.4 -11.0 4.8 20.5 15.8 55 55 A A H <4 S+ 0 0 69 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 118.4 9.0 -65.1 -39.4 1.6 19.5 17.6 56 56 A D H S+ 0 0 8 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.952 113.8 46.0 -63.2 -46.1 5.5 13.0 15.3 59 59 A E H 4 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 115.1 47.7 -63.2 -35.7 2.1 11.2 15.5 60 60 A K H < S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 118.6 38.6 -70.5 -31.6 1.6 11.6 11.8 61 61 A K H < S+ 0 0 25 -4,-2.3 2,-2.1 -5,-0.2 3,-0.2 0.637 90.8 86.6 -98.7 -16.4 5.1 10.4 10.7 62 62 A D >< + 0 0 11 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.1 -0.512 57.5 169.1 -79.6 77.7 5.6 7.6 13.2 63 63 A K T 3 S+ 0 0 179 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.843 70.1 44.6 -70.1 -30.5 3.8 5.3 10.8 64 64 A N T 3 S- 0 0 88 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.346 104.7-128.2 -94.7 5.1 4.6 1.9 12.6 65 65 A E < + 0 0 168 -3,-1.6 -2,-0.1 -6,-0.1 -3,-0.1 0.837 65.9 134.2 53.8 39.2 3.8 3.4 16.0 66 66 A D S S- 0 0 54 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.308 75.4-114.1 -94.5 5.9 7.0 2.4 17.7 67 67 A K S S+ 0 0 163 1,-0.2 -39,-0.4 -5,-0.1 2,-0.3 0.676 88.3 89.8 66.7 29.3 7.5 5.8 19.2 68 68 A K S S- 0 0 48 -41,-0.1 2,-0.6 -10,-0.1 -2,-0.4 -0.972 72.7-130.7-145.7 154.4 10.6 6.5 17.1 69 69 A I B -A 26 0A 0 -43,-2.7 -43,-2.8 -2,-0.3 -7,-0.1 -0.943 29.3-164.5-108.0 114.4 11.2 8.1 13.7 70 70 A D > - 0 0 34 -2,-0.6 4,-2.5 -45,-0.2 5,-0.2 -0.257 39.7 -89.9 -91.3 178.5 13.4 5.8 11.6 71 71 A F H > S+ 0 0 68 -47,-0.3 4,-2.6 1,-0.2 5,-0.2 0.897 126.3 52.9 -62.8 -40.5 15.2 6.9 8.4 72 72 A S H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 111.6 45.9 -58.6 -39.1 12.3 5.9 6.1 73 73 A E H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.882 109.9 54.7 -73.6 -33.6 9.8 8.0 8.2 74 74 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.904 106.5 51.3 -61.9 -45.2 12.2 10.9 8.3 75 75 A L H X S+ 0 0 74 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.887 108.1 52.8 -57.7 -39.2 12.4 10.8 4.4 76 76 A S H X S+ 0 0 56 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 108.1 50.3 -63.9 -36.5 8.5 10.9 4.4 77 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 111.3 47.5 -63.3 -48.7 8.6 14.0 6.7 78 78 A L H X S+ 0 0 27 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.892 109.4 55.7 -60.8 -34.9 11.1 15.7 4.3 79 79 A G H X S+ 0 0 30 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.882 106.6 49.6 -62.8 -37.0 8.8 14.7 1.4 80 80 A D H X S+ 0 0 70 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.916 112.4 46.9 -67.8 -40.0 5.9 16.4 3.0 81 81 A I H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 114.2 47.8 -66.2 -41.9 7.9 19.6 3.5 82 82 A A H X S+ 0 0 59 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.901 109.0 53.8 -65.5 -36.4 9.2 19.4 -0.1 83 83 A T H X S+ 0 0 65 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.918 107.6 51.3 -66.2 -38.7 5.6 18.8 -1.4 84 84 A D H X S+ 0 0 15 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.964 111.4 46.6 -62.2 -39.5 4.4 22.0 0.5 85 85 A Y H X S+ 0 0 108 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 111.4 52.6 -71.5 -33.9 7.2 24.1 -1.1 86 86 A H H X S+ 0 0 116 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.953 110.3 48.1 -68.2 -43.6 6.3 22.5 -4.6 87 87 A K H ><>S+ 0 0 106 -4,-3.1 5,-2.5 1,-0.2 3,-1.2 0.914 109.9 52.9 -62.4 -40.4 2.7 23.5 -4.1 88 88 A Q H ><5S+ 0 0 59 -4,-2.9 3,-2.2 1,-0.3 -1,-0.2 0.898 103.0 56.6 -59.5 -37.7 3.8 27.0 -3.1 89 89 A S H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.1 52.9 -66.8 -18.6 5.9 27.3 -6.3 90 90 A H T <<5S- 0 0 149 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.164 134.3 -89.1 -94.1 5.0 2.6 26.6 -8.2 91 91 A G T < 5S+ 0 0 71 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.425 80.9 140.1 101.5 5.9 0.9 29.4 -6.4 92 92 A A < - 0 0 39 -5,-2.5 -1,-0.3 -6,-0.2 3,-0.1 -0.401 59.2-103.9 -72.3 154.7 -0.5 27.7 -3.2 93 93 A A > - 0 0 48 1,-0.1 3,-0.6 -2,-0.1 -1,-0.1 -0.457 50.3 -87.0 -68.9 156.0 -0.4 29.4 0.0 94 94 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.278 109.4 15.2 -62.0 145.0 2.4 28.1 2.5 95 95 A a T 3 0 0 19 1,-0.2 -2,-0.1 -14,-0.1 -11,-0.0 0.873 360.0 360.0 64.6 42.0 1.6 25.2 4.7 96 96 A S < 0 0 92 -3,-0.6 -1,-0.2 -12,-0.1 -3,-0.1 0.062 360.0 360.0 -89.0 360.0 -1.5 24.3 2.7