==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-OCT-10 2L50 . COMPND 2 MOLECULE: PROTEIN S100-A16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.BABINI,I.BERTINI,V.BORSI,V.CALDERONE,X.HU,C.LUCHINAT,G.PAR . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 70.6 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 . 0 0.0 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 . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 44.6 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 0 0 0 1 2 0 3 0 0 4 0 0 0 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 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 S 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.2 -18.9 15.2 9.6 2 3 A D - 0 0 112 3,-0.0 2,-0.9 148,-0.0 3,-0.2 0.528 360.0-152.0-132.4 -21.8 -16.0 13.3 8.5 3 4 A C - 0 0 127 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.013 49.9 -99.6 69.1 -23.4 -14.7 14.4 5.0 4 5 A Y - 0 0 92 -2,-0.9 -1,-0.1 4,-0.0 5,-0.1 0.894 46.9-103.0 65.2 102.1 -13.2 10.9 4.2 5 6 A T > - 0 0 36 -3,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.059 20.2-122.4 -52.2 150.3 -9.4 11.1 5.0 6 7 A E H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.968 115.5 52.7 -59.3 -48.6 -7.1 11.4 1.9 7 8 A L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 111.5 47.2 -45.7 -47.7 -5.3 8.3 3.1 8 9 A E H > S+ 0 0 0 139,-0.5 4,-2.4 2,-0.3 -2,-0.2 0.969 112.4 45.0 -74.3 -50.6 -8.6 6.4 3.3 9 10 A K H X S+ 0 0 72 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.874 114.0 55.2 -50.4 -37.9 -10.0 7.5 -0.1 10 11 A A H X S+ 0 0 5 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.946 103.4 50.6 -65.4 -45.0 -6.5 6.6 -1.3 11 12 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.920 113.3 48.9 -60.1 -36.1 -6.7 3.0 0.1 12 13 A I H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.971 111.7 48.0 -58.5 -52.0 -10.1 2.9 -1.8 13 14 A V H X S+ 0 0 44 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.858 111.9 49.2 -62.0 -39.6 -8.3 4.3 -5.0 14 15 A L H X S+ 0 0 3 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.907 109.7 52.0 -63.6 -43.1 -5.5 1.7 -4.7 15 16 A V H >X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.3 3,-0.6 0.927 113.4 44.5 -62.3 -41.9 -8.1 -1.1 -4.2 16 17 A E H 3X S+ 0 0 59 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.911 103.2 63.4 -65.9 -41.7 -9.8 0.1 -7.4 17 18 A N H 3< S+ 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.706 118.7 30.1 -59.1 -16.5 -6.4 0.5 -9.3 18 19 A F H X< S+ 0 0 7 -4,-0.8 3,-2.5 -3,-0.6 -2,-0.2 0.814 116.8 51.9 -98.8 -61.6 -6.2 -3.4 -8.8 19 20 A Y H >< S+ 0 0 11 -4,-3.0 3,-2.5 1,-0.3 5,-0.4 0.795 92.0 76.5 -60.5 -24.4 -9.8 -4.7 -8.7 20 21 A K T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.748 90.6 61.3 -46.3 -26.6 -10.6 -2.9 -12.1 21 22 A Y T < S+ 0 0 72 -3,-2.5 2,-0.3 -5,-0.2 -1,-0.3 0.281 105.8 45.7 -91.2 7.1 -8.6 -5.9 -13.5 22 23 A V S < S- 0 0 12 -3,-2.5 2,-1.0 9,-0.1 9,-0.1 -0.941 88.4-108.0-136.1 164.3 -11.0 -8.7 -12.2 23 24 A S > - 0 0 74 7,-0.5 2,-2.9 -2,-0.3 3,-0.6 -0.603 64.9 -89.7 -93.5 70.8 -14.8 -9.3 -12.2 24 25 A K T 3 S+ 0 0 38 -2,-1.0 3,-0.1 -5,-0.4 174,-0.1 -0.202 119.2 18.9 71.9 -52.1 -15.4 -8.7 -8.5 25 26 A Y T 3 S+ 0 0 139 -2,-2.9 2,-0.4 1,-0.1 -1,-0.3 0.443 95.0 105.7-110.4 -13.6 -14.9 -12.4 -7.2 26 27 A S <> + 0 0 21 -3,-0.6 4,-2.7 1,-0.2 2,-0.9 0.189 26.2 143.2 -84.1 18.2 -13.0 -13.8 -10.1 27 28 A L T 4 S+ 0 0 49 -2,-0.4 46,-2.6 1,-0.3 -1,-0.2 0.320 88.1 15.5 -39.6 -7.4 -9.3 -14.2 -8.8 28 29 A V T 4 S+ 0 0 66 -2,-0.9 -1,-0.3 44,-0.2 3,-0.2 0.525 126.5 50.7-130.4 -45.0 -8.8 -17.5 -10.7 29 30 A K T 4 S+ 0 0 183 1,-0.3 2,-0.3 -3,-0.2 -2,-0.2 0.683 126.6 18.1 -79.4 -22.9 -11.6 -17.9 -13.4 30 31 A N S < S+ 0 0 85 -4,-2.7 -7,-0.5 -5,-0.0 -1,-0.3 -0.874 88.3 132.1-147.5 119.2 -11.1 -14.3 -14.8 31 32 A K - 0 0 74 -2,-0.3 -9,-0.1 -3,-0.2 2,-0.1 -0.966 47.1-103.3-160.6 160.8 -7.7 -12.5 -14.1 32 33 A I - 0 0 48 -2,-0.3 2,-0.5 -11,-0.2 3,-0.0 -0.311 41.0 -95.7 -83.7 172.7 -4.8 -10.6 -15.7 33 34 A S > - 0 0 72 1,-0.1 3,-2.8 -2,-0.1 4,-0.4 -0.810 28.9-131.0 -78.7 134.7 -1.3 -11.7 -16.6 34 35 A K G >> S+ 0 0 25 -2,-0.5 3,-1.1 1,-0.3 4,-0.7 0.806 106.7 75.2 -55.2 -25.1 1.0 -10.7 -13.7 35 36 A S G 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.581 85.6 62.7 -62.0 -13.0 3.1 -9.3 -16.6 36 37 A S G X> S+ 0 0 34 -3,-2.8 4,-3.2 2,-0.1 3,-1.2 0.758 87.9 69.2 -83.0 -23.9 0.5 -6.4 -16.7 37 38 A F H <> S+ 0 0 6 -3,-1.1 4,-2.4 -4,-0.4 -2,-0.2 0.959 101.5 45.9 -52.8 -54.0 1.4 -5.1 -13.2 38 39 A R H 3< S+ 0 0 87 -4,-0.7 -1,-0.3 2,-0.2 -2,-0.1 0.548 119.4 42.9 -61.7 -17.2 4.8 -3.9 -14.3 39 40 A E H X4 S+ 0 0 60 -3,-1.2 3,-2.0 2,-0.1 4,-0.3 0.840 110.9 50.1-101.6 -52.4 3.2 -2.3 -17.4 40 41 A M H >X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.3 3,-2.0 0.865 103.4 65.2 -53.7 -36.4 0.1 -0.7 -15.8 41 42 A L H 3X S+ 0 0 11 -4,-2.4 4,-0.9 -5,-0.4 -1,-0.3 0.765 94.9 57.5 -54.1 -30.1 2.6 0.8 -13.3 42 43 A Q H <4 S+ 0 0 84 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.459 115.6 36.9 -83.8 -3.7 4.2 2.8 -16.3 43 44 A K H X4 S+ 0 0 106 -3,-2.0 3,-0.7 -4,-0.3 -2,-0.2 0.747 124.9 31.1-103.7 -56.5 0.7 4.4 -16.8 44 45 A E H 3< S+ 0 0 53 -4,-2.6 67,-0.4 1,-0.2 -3,-0.2 0.671 129.3 36.4 -90.5 -14.8 -1.0 5.0 -13.4 45 46 A L T 3< S+ 0 0 17 -4,-0.9 4,-0.3 -5,-0.4 3,-0.3 -0.436 81.2 130.9-123.2 45.3 2.3 5.6 -11.3 46 47 A N < + 0 0 56 -3,-0.7 3,-0.2 1,-0.2 -2,-0.1 0.708 52.3 67.9 -78.8 -21.0 4.1 7.4 -14.1 47 48 A H S S+ 0 0 39 1,-0.2 -1,-0.2 -3,-0.1 -5,-0.0 0.746 104.7 40.8 -83.4 -22.5 5.4 10.6 -12.4 48 49 A M S S+ 0 0 35 -3,-0.3 2,-0.6 2,-0.1 3,-0.2 0.507 104.3 81.6 -91.6 -12.9 8.0 8.9 -10.1 49 50 A L + 0 0 32 -4,-0.3 -1,-0.0 -3,-0.2 -4,-0.0 -0.867 48.6 96.0 -99.1 117.9 9.1 6.6 -12.9 50 51 A S S S+ 0 0 102 -2,-0.6 -1,-0.1 -3,-0.0 -2,-0.1 0.194 71.6 69.8-159.2 -47.2 11.6 7.9 -15.5 51 52 A D S S- 0 0 91 -3,-0.2 2,-0.9 1,-0.2 -2,-0.1 0.597 92.4-143.1 -37.7 -26.8 15.0 6.7 -14.2 52 53 A T S > S+ 0 0 72 1,-0.1 4,-2.1 3,-0.0 3,-0.2 -0.053 82.2 95.0 71.8 -25.0 13.6 3.2 -15.2 53 54 A G H > S+ 0 0 30 -2,-0.9 4,-1.8 2,-0.2 5,-0.1 0.884 78.2 58.2 -54.3 -44.2 15.3 1.6 -12.1 54 55 A N H 4 S+ 0 0 16 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.910 108.1 46.3 -55.0 -42.7 12.0 2.0 -10.2 55 56 A R H >> S+ 0 0 77 -3,-0.2 3,-2.2 2,-0.2 4,-2.0 0.912 105.6 57.9 -68.3 -40.1 10.4 -0.1 -12.9 56 57 A K H 3X S+ 0 0 147 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.853 101.2 59.4 -55.3 -29.9 13.3 -2.7 -12.7 57 58 A A H 3< S+ 0 0 16 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.568 105.8 47.5 -75.4 -10.2 12.3 -2.9 -9.0 58 59 A A H X> S+ 0 0 0 -3,-2.2 3,-1.8 -4,-0.3 4,-1.5 0.863 109.3 50.9 -82.4 -52.9 8.8 -4.1 -10.2 59 60 A D H 3X S+ 0 0 35 -4,-2.0 4,-1.5 1,-0.3 5,-0.2 0.852 102.8 60.7 -61.9 -33.5 10.0 -6.7 -12.8 60 61 A K H 3X S+ 0 0 118 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.3 0.783 106.8 48.1 -54.7 -32.0 12.3 -8.3 -10.1 61 62 A L H <> S+ 0 0 19 -3,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.879 102.5 61.3 -81.2 -40.2 9.1 -9.0 -8.0 62 63 A I H >X S+ 0 0 6 -4,-1.5 4,-2.9 2,-0.2 3,-0.5 0.934 108.8 42.3 -48.7 -55.4 7.1 -10.5 -11.0 63 64 A Q H 3X S+ 0 0 135 -4,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.861 112.1 54.2 -66.0 -38.8 9.6 -13.4 -11.4 64 65 A N H 3< S+ 0 0 100 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.791 114.4 42.6 -59.5 -32.8 9.9 -13.8 -7.6 65 66 A L H X< S+ 0 0 25 -4,-1.8 3,-1.8 -3,-0.5 4,-0.2 0.889 106.7 59.6 -86.8 -41.6 6.0 -14.2 -7.5 66 67 A D H >< S+ 0 0 82 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.905 97.9 61.6 -48.0 -48.4 5.8 -16.5 -10.7 67 68 A A T 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.655 115.2 32.4 -53.5 -22.2 8.0 -19.1 -8.9 68 69 A N T < S+ 0 0 137 -3,-1.8 2,-0.4 -4,-0.1 -1,-0.3 0.225 108.4 81.3-113.8 5.6 5.3 -19.4 -6.2 69 70 A H < - 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