==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN/INHIBITOR 15-SEP-99 1QLS . COMPND 2 MOLECULE: S100C PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.RETY,J.SOPKOVA,M.RENOUARD,D.OSTERLOH,V.GERKE, . 106 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 71.7 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 1.9 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 57.5 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 1 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 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 5 A P 0 0 141 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 -12.0 71.4 65.3 2 6 A T > - 0 0 80 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.265 360.0-103.6 -74.4 172.8 -10.5 73.7 62.7 3 7 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 124.9 51.1 -64.7 -35.6 -9.8 72.5 59.2 4 8 A T H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 111.3 46.9 -67.8 -40.2 -6.1 72.3 60.1 5 9 A E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 112.6 49.8 -63.0 -42.0 -6.9 70.2 63.2 6 10 A R H X S+ 0 0 92 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.902 110.9 49.2 -64.7 -41.1 -9.2 68.0 61.2 7 11 A C H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.862 109.0 51.9 -69.0 -35.4 -6.6 67.4 58.5 8 12 A I H X S+ 0 0 102 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 113.0 46.9 -64.3 -41.5 -3.9 66.6 61.1 9 13 A E H X S+ 0 0 137 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.911 110.1 50.7 -67.5 -41.1 -6.3 64.1 62.6 10 14 A S H X S+ 0 0 40 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.893 106.4 56.8 -60.2 -41.9 -7.2 62.6 59.2 11 15 A L H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.940 110.5 44.1 -54.2 -47.9 -3.5 62.2 58.4 12 16 A I H X S+ 0 0 80 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.912 114.8 48.5 -61.8 -46.6 -3.1 60.1 61.5 13 17 A A H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.868 110.9 50.1 -64.1 -41.6 -6.2 58.1 60.9 14 18 A I H X S+ 0 0 41 -4,-3.3 4,-2.2 2,-0.2 5,-0.3 0.950 111.8 47.9 -64.2 -44.9 -5.3 57.4 57.3 15 19 A F H X S+ 0 0 3 -4,-2.7 4,-3.6 -5,-0.3 5,-0.2 0.959 114.1 47.3 -57.3 -47.7 -1.9 56.2 58.3 16 20 A Q H X S+ 0 0 78 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.899 109.8 51.3 -64.4 -39.3 -3.3 54.0 61.0 17 21 A K H < S+ 0 0 127 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.920 118.5 37.9 -63.4 -43.7 -6.0 52.4 58.9 18 22 A H H >< S+ 0 0 2 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.834 117.4 50.1 -80.7 -30.1 -3.4 51.5 56.2 19 23 A A H >< S+ 0 0 0 -4,-3.6 3,-0.6 -5,-0.3 8,-0.3 0.773 101.9 65.1 -79.0 -21.2 -0.7 50.6 58.6 20 24 A G T 3< S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.2 5,-0.2 0.197 70.5 93.1 -89.7 26.6 -3.0 48.3 60.7 21 25 A R T < S+ 0 0 125 -3,-0.8 -1,-0.2 3,-0.2 -2,-0.1 0.834 91.6 34.8 -83.4 -35.5 -3.7 45.6 58.2 22 26 A D S < S- 0 0 72 -3,-0.6 3,-0.1 2,-0.2 6,-0.0 -0.217 112.2 -78.2 -99.0-159.0 -0.9 43.3 59.3 23 27 A G S S+ 0 0 92 1,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.373 112.9 68.8 -84.5 5.0 0.4 42.9 62.9 24 28 A N > + 0 0 53 -5,-0.3 3,-1.5 3,-0.1 -2,-0.2 -0.769 53.6 178.2-118.4 94.1 2.4 46.0 63.0 25 29 A N T 3 S+ 0 0 87 -2,-0.4 -5,-0.2 1,-0.3 -6,-0.2 0.347 76.0 65.8 -82.8 20.7 0.3 49.3 63.0 26 30 A T T 3 S+ 0 0 76 -7,-0.2 45,-0.5 1,-0.1 2,-0.4 0.413 100.5 51.5-111.7 3.0 3.3 51.6 63.3 27 31 A K < - 0 0 45 -3,-1.5 2,-0.7 -8,-0.3 43,-0.2 -0.981 70.0-140.4-136.6 138.5 4.7 50.7 59.9 28 32 A I B -A 69 0A 0 41,-3.8 41,-2.8 -2,-0.4 -9,-0.1 -0.903 28.3-151.8 -93.7 118.3 3.2 50.7 56.4 29 33 A S > - 0 0 22 -2,-0.7 4,-2.4 39,-0.2 5,-0.2 -0.334 30.8 -96.5 -78.7-179.7 4.7 47.6 54.6 30 34 A K H > S+ 0 0 79 37,-0.5 4,-2.7 1,-0.2 5,-0.2 0.958 126.2 50.8 -57.6 -43.1 5.2 47.4 50.8 31 35 A T H > S+ 0 0 95 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.921 112.3 45.2 -63.0 -43.3 1.9 45.5 50.5 32 36 A E H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.826 111.0 52.6 -70.1 -31.6 0.0 48.1 52.5 33 37 A F H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.904 107.1 54.6 -70.0 -40.0 1.6 51.0 50.6 34 38 A L H X S+ 0 0 80 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 112.4 43.4 -54.4 -46.5 0.5 49.2 47.3 35 39 A I H < S+ 0 0 60 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.899 113.3 50.0 -69.8 -41.6 -3.1 49.2 48.6 36 40 A F H >X>S+ 0 0 5 -4,-2.1 4,-3.4 2,-0.2 3,-1.5 0.948 112.3 48.2 -60.9 -50.4 -2.9 52.8 50.0 37 41 A M H 3<5S+ 0 0 0 -4,-3.1 8,-0.4 1,-0.3 4,-0.2 0.877 113.0 48.4 -60.5 -36.0 -1.6 54.0 46.6 38 42 A N T 3<5S+ 0 0 74 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.402 125.5 26.6 -87.9 4.6 -4.3 52.1 44.6 39 43 A T T <45S+ 0 0 83 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.2 0.656 129.2 30.4-132.2 -38.4 -7.1 53.4 46.8 40 44 A E T <5S+ 0 0 90 -4,-3.4 -3,-0.2 -5,-0.2 3,-0.2 0.783 137.6 27.8 -91.6 -35.2 -6.4 56.8 48.5 41 45 A L S >> + 0 0 23 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.896 69.0 59.3 -47.8 -45.2 -5.8 55.9 42.8 43 47 A A H 3> S+ 0 0 23 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.850 112.2 37.0 -58.2 -38.6 -5.9 58.9 40.5 44 48 A F H <> S+ 0 0 3 -3,-0.6 4,-1.1 -7,-0.2 -1,-0.3 0.821 120.7 49.3 -82.6 -32.4 -2.2 59.5 40.5 45 49 A T H < S+ 0 0 13 -4,-2.2 -2,-0.2 -8,-0.4 -3,-0.2 0.948 105.3 53.3 -72.8 -49.1 -1.5 55.8 40.5 46 50 A Q H < S+ 0 0 144 -4,-3.9 -1,-0.2 1,-0.2 -3,-0.2 0.851 101.6 62.0 -55.9 -39.6 -3.7 54.7 37.7 47 51 A N H < S+ 0 0 67 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.980 93.3 69.1 -50.0 -67.3 -2.2 57.2 35.3 48 52 A Q < - 0 0 21 -4,-1.1 56,-0.0 1,-0.1 0, 0.0 -0.217 62.4-174.9 -52.2 135.7 1.3 55.6 35.6 49 53 A K + 0 0 178 4,-0.0 -1,-0.1 3,-0.0 -2,-0.1 0.410 56.3 94.0-115.9 -4.3 1.3 52.2 33.9 50 54 A D > - 0 0 78 1,-0.1 3,-1.4 2,-0.0 4,-0.3 -0.830 61.6-158.1 -93.3 115.3 4.8 51.0 34.8 51 55 A P T 3> S+ 0 0 104 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.593 85.6 72.3 -71.2 -10.9 4.4 49.0 37.9 52 56 A G H 3> S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.653 79.6 79.6 -77.6 -14.9 8.1 49.5 38.8 53 57 A V H X> S+ 0 0 8 -3,-1.4 4,-2.6 2,-0.2 3,-0.6 0.966 91.9 46.4 -58.3 -52.3 7.2 53.1 39.7 54 58 A L H 3> S+ 0 0 19 -4,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.863 110.2 54.0 -59.0 -36.3 5.7 52.3 43.2 55 59 A D H 3X S+ 0 0 73 -4,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.880 111.5 46.0 -66.6 -34.6 8.7 50.1 43.9 56 60 A R H < + 0 0 5 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 -0.486 54.9 171.4 -76.7 72.7 12.1 54.5 52.9 63 67 A L T 3 S+ 0 0 120 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.770 75.4 40.4 -60.7 -31.6 14.8 56.7 54.4 64 68 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.335 104.2-132.3 -98.8 9.5 16.1 54.3 57.1 65 69 A S < + 0 0 93 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.779 64.0 133.8 47.1 42.4 15.8 51.5 54.6 66 70 A D S S- 0 0 70 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.346 77.7-110.1 -91.0 0.4 14.1 48.9 56.8 67 71 A G S S+ 0 0 33 1,-0.2 -37,-0.5 -5,-0.2 2,-0.3 0.583 89.7 81.4 83.8 7.9 11.6 48.2 53.9 68 72 A Q S S- 0 0 47 -39,-0.1 2,-0.5 -38,-0.1 -2,-0.3 -0.890 76.6-118.5-136.9 166.7 8.5 49.8 55.5 69 73 A L B -A 28 0A 0 -41,-2.8 -41,-3.8 -2,-0.3 2,-0.2 -0.951 24.4-160.2-109.0 131.9 7.2 53.4 55.8 70 74 A D > - 0 0 43 -2,-0.5 4,-2.5 -43,-0.2 3,-0.3 -0.461 42.3 -87.2 -93.0-178.4 6.8 54.8 59.3 71 75 A F H > S+ 0 0 64 -45,-0.5 4,-2.3 1,-0.2 5,-0.1 0.860 127.2 49.7 -54.0 -43.7 4.6 57.8 59.9 72 76 A Q H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.912 111.0 48.9 -65.4 -42.3 7.2 60.4 59.2 73 77 A E H > S+ 0 0 6 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.889 110.8 52.0 -64.3 -39.2 8.2 58.8 55.9 74 78 A F H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.894 105.9 54.5 -65.2 -38.4 4.6 58.6 55.0 75 79 A L H X S+ 0 0 59 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.868 100.7 58.5 -62.9 -34.5 4.2 62.3 55.7 76 80 A N H X S+ 0 0 73 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.875 106.5 50.7 -64.1 -30.6 7.1 63.1 53.3 77 81 A L H X S+ 0 0 7 -4,-1.2 4,-2.0 -3,-0.4 5,-0.2 0.958 112.1 45.1 -68.6 -50.3 4.9 61.4 50.6 78 82 A I H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.958 117.0 45.9 -58.4 -46.2 1.9 63.5 51.5 79 83 A G H X S+ 0 0 30 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.894 108.4 54.4 -64.6 -46.1 4.1 66.7 51.7 80 84 A G H X S+ 0 0 42 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.914 113.1 44.8 -57.4 -42.8 5.9 65.9 48.3 81 85 A L H X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.860 112.4 49.5 -67.5 -41.9 2.5 65.7 46.6 82 86 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.912 111.4 51.4 -68.5 -37.5 1.0 68.7 48.3 83 87 A I H X S+ 0 0 107 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.973 110.7 46.4 -64.8 -47.7 4.2 70.7 47.3 84 88 A A H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.941 114.6 49.3 -59.7 -41.5 4.0 69.6 43.6 85 89 A C H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.886 111.3 47.5 -65.5 -35.6 0.3 70.4 43.6 86 90 A H H X S+ 0 0 110 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 54.4 -73.0 -37.3 0.8 73.9 45.1 87 91 A D H X S+ 0 0 78 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 109.8 47.7 -60.5 -43.7 3.6 74.6 42.6 88 92 A S H X S+ 0 0 44 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.831 108.7 53.5 -66.2 -36.3 1.2 73.8 39.8 89 93 A F H X S+ 0 0 95 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.906 112.5 44.5 -68.1 -36.2 -1.5 76.0 41.3 90 94 A I H X S+ 0 0 48 -4,-2.1 4,-3.2 2,-0.2 3,-0.3 0.949 112.8 51.3 -66.9 -47.8 1.0 78.9 41.4 91 95 A K H < S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.7 47.2 -54.1 -40.0 2.3 78.2 37.8 92 96 A S H < S+ 0 0 68 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.759 120.2 35.8 -78.8 -29.6 -1.3 78.2 36.6 93 97 A T H < S+ 0 0 72 -4,-1.4 2,-0.5 -3,-0.3 -2,-0.2 0.689 116.5 48.6-102.9 -20.3 -2.4 81.4 38.3 94 98 A Q < 0 0 146 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.560 360.0 360.0-114.0 65.6 0.8 83.5 38.1 95 99 A K 0 0 231 -2,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.604 360.0 360.0-109.3 360.0 1.3 82.9 34.4 96 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 1 D A > 0 0 124 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-116.2 -10.9 68.3 43.6 98 2 D M H > + 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.856 360.0 57.1 -70.3 -34.0 -8.1 70.2 42.0 99 3 D V H > S+ 0 0 70 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.956 100.9 53.6 -62.0 -52.1 -5.6 67.8 43.6 100 4 D S H > S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.839 112.8 45.0 -51.7 -38.0 -7.1 64.7 42.0 101 5 D A H X S+ 0 0 37 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.916 112.5 51.4 -73.3 -41.7 -6.8 66.3 38.6 102 6 D F H >X S+ 0 0 11 -4,-2.6 4,-3.5 1,-0.2 3,-0.7 0.964 106.8 52.8 -57.4 -53.2 -3.3 67.5 39.3 103 7 D L H 3< S+ 0 0 8 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.8 53.6 -49.7 -35.6 -2.2 64.0 40.4 104 8 D K H 3< S+ 0 0 118 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.879 115.8 38.1 -67.6 -39.6 -3.6 62.8 37.1 105 9 D Q H << S+ 0 0 147 -4,-1.8 2,-0.7 -3,-0.7 -2,-0.2 0.898 106.8 68.8 -79.4 -46.4 -1.5 65.3 35.1 106 10 D A < 0 0 31 -4,-3.5 -1,-0.1 -5,-0.2 -21,-0.0 -0.702 360.0 360.0 -85.6 114.9 1.7 65.2 37.2 107 11 D W 0 0 178 -2,-0.7 -59,-0.0 -60,-0.1 -60,-0.0 0.102 360.0 360.0 100.1 360.0 3.6 61.9 36.9