==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-APR-08 3CZT . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.OSTENDORP,J.DIEZ,C.W.HEIZMANN,G.FRITZ . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 69.2 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 . 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 . 5 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 54.9 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 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 0 X M 0 0 160 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.2 -40.2 -7.7 23.3 2 1 X S > - 0 0 55 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.280 360.0-101.9 -70.3 170.1 -39.1 -8.6 26.8 3 2 X E H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 125.2 52.4 -62.0 -39.2 -38.7 -6.0 29.4 4 3 X L H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 110.2 47.1 -62.3 -44.3 -34.9 -6.2 28.8 5 4 X E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 111.0 51.6 -63.6 -44.1 -35.3 -5.6 25.1 6 5 X K H X S+ 0 0 92 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.891 108.1 53.4 -58.2 -41.7 -37.7 -2.7 25.7 7 6 X A H X S+ 0 0 49 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.914 107.2 49.9 -61.4 -45.9 -35.1 -1.2 28.0 8 7 X M H X S+ 0 0 105 -4,-2.2 4,-1.7 2,-0.2 3,-0.2 0.916 110.9 49.1 -58.9 -45.9 -32.4 -1.4 25.4 9 8 X V H X S+ 0 0 56 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.903 107.8 56.0 -62.9 -35.7 -34.6 0.3 22.8 10 9 X A H X S+ 0 0 50 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.869 104.2 53.0 -66.2 -33.2 -35.5 3.0 25.3 11 10 X L H X S+ 0 0 57 -4,-1.7 4,-1.9 -3,-0.2 -1,-0.2 0.931 111.3 46.0 -66.3 -43.9 -31.8 3.8 25.8 12 11 X I H X S+ 0 0 67 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.943 113.7 50.6 -62.8 -44.8 -31.3 4.2 22.0 13 12 X D H X S+ 0 0 76 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.947 110.5 45.6 -60.7 -52.3 -34.5 6.3 21.8 14 13 X V H X S+ 0 0 25 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.916 112.4 52.4 -63.3 -37.3 -33.7 8.7 24.5 15 14 X F H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.967 111.9 46.0 -62.6 -46.5 -30.1 9.1 23.2 16 15 X H H X S+ 0 0 81 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 108.6 56.3 -61.9 -43.9 -31.5 10.0 19.7 17 16 X Q H < S+ 0 0 116 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.936 118.9 31.4 -51.7 -52.5 -34.1 12.4 21.0 18 17 X Y H >< S+ 0 0 9 -4,-2.0 3,-1.4 -5,-0.2 4,-0.4 0.891 117.7 52.4 -79.7 -40.8 -31.5 14.5 22.8 19 18 X S H >< S+ 0 0 0 -4,-3.2 3,-0.5 -5,-0.3 8,-0.4 0.830 103.3 61.5 -65.6 -29.1 -28.6 14.0 20.5 20 19 X G T 3< S+ 0 0 25 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.493 81.7 84.8 -75.5 -3.5 -30.6 15.0 17.4 21 20 X R T < S- 0 0 127 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.918 100.8 -2.5 -70.5 -43.5 -31.4 18.5 18.7 22 21 X E S < S- 0 0 95 -3,-0.5 5,-0.2 -4,-0.4 -1,-0.2 -0.978 108.6 -12.3-146.9 153.3 -28.3 20.4 17.6 23 22 X G S S+ 0 0 69 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.221 117.6 22.5 62.5-145.8 -25.0 19.8 15.8 24 23 X D S > S- 0 0 71 1,-0.2 3,-1.4 2,-0.1 -2,-0.3 -0.441 73.2-147.5 -57.4 121.7 -23.9 16.2 15.3 25 24 X K T 3 S+ 0 0 145 1,-0.3 -1,-0.2 -2,-0.2 -6,-0.1 0.459 94.6 52.5 -79.8 -1.2 -27.2 14.2 15.5 26 25 X H T 3 S+ 0 0 107 -7,-0.2 45,-0.5 -6,-0.1 2,-0.3 0.080 103.9 65.2-118.0 16.1 -25.3 11.3 17.1 27 26 X K S < S- 0 0 53 -3,-1.4 2,-0.6 -8,-0.4 43,-0.2 -0.997 74.0-128.9-137.2 149.5 -23.6 13.1 19.8 28 27 X L B -A 69 0A 0 41,-2.9 41,-2.6 -2,-0.3 2,-0.1 -0.864 21.1-158.7 -92.6 115.9 -24.8 15.0 22.9 29 28 X K > - 0 0 74 -2,-0.6 4,-3.0 39,-0.2 5,-0.3 -0.408 42.1 -90.4 -78.1 170.9 -23.4 18.5 23.3 30 29 X K H > S+ 0 0 83 37,-0.3 4,-2.7 1,-0.2 5,-0.2 0.901 127.5 49.7 -53.7 -42.8 -23.4 20.1 26.8 31 30 X S H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 112.3 46.8 -66.5 -39.7 -26.8 21.6 26.3 32 31 X E H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 113.0 49.2 -66.0 -42.4 -28.3 18.4 25.1 33 32 X L H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.900 108.2 54.4 -62.6 -41.9 -26.8 16.5 27.9 34 33 X K H X S+ 0 0 67 -4,-2.7 4,-2.7 -5,-0.3 14,-0.3 0.931 111.4 44.0 -58.3 -45.0 -28.0 18.9 30.5 35 34 X E H X S+ 0 0 73 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.885 109.4 56.1 -73.0 -36.5 -31.5 18.6 29.4 36 35 X L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.951 113.7 41.8 -56.9 -47.3 -31.3 14.8 29.1 37 36 X I H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.938 117.6 45.9 -63.2 -49.0 -30.3 14.8 32.8 38 37 X N H < S+ 0 0 20 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.877 124.1 31.1 -68.5 -35.6 -32.7 17.4 34.0 39 38 X N H < S+ 0 0 79 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.806 131.2 29.1 -91.0 -34.4 -35.8 16.0 32.1 40 39 X E H < S+ 0 0 96 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.471 123.7 41.2-113.6 -9.4 -35.1 12.2 32.1 41 40 X L S >X S+ 0 0 33 -4,-1.6 4,-2.5 -5,-0.4 3,-0.8 -0.021 71.2 127.9-124.0 31.2 -33.0 11.6 35.2 42 41 X S T 34 S+ 0 0 68 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.706 77.5 42.8 -67.7 -20.0 -34.9 13.8 37.5 43 42 X H T 34 S+ 0 0 171 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.653 120.4 40.0 -92.8 -23.1 -35.4 11.1 40.1 44 43 X F T <4 S+ 0 0 127 -3,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.676 117.6 37.4-100.0 -25.8 -31.9 9.6 39.9 45 44 X L S < S- 0 0 56 -4,-2.5 -1,-0.2 -8,-0.2 3,-0.1 -0.985 85.6-104.1-133.5 141.9 -29.7 12.8 39.7 46 45 X E - 0 0 180 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.372 51.7 -95.8 -57.5 137.2 -29.8 16.2 41.2 47 46 X E - 0 0 114 -5,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.314 37.6-123.1 -53.1 136.3 -31.1 18.8 38.7 48 47 X I + 0 0 9 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.778 46.0 153.1 -90.3 120.9 -28.2 20.6 37.0 49 48 X K + 0 0 151 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.191 52.9 72.8-124.6 2.5 -28.4 24.4 37.5 50 49 X E >> - 0 0 111 1,-0.1 4,-1.9 0, 0.0 3,-0.7 -0.992 68.9-139.7-125.2 136.7 -24.8 25.4 37.3 51 50 X Q H 3> S+ 0 0 119 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.855 105.4 59.9 -52.4 -40.0 -22.4 25.6 34.3 52 51 X E H 3> S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 105.0 49.2 -66.5 -30.2 -19.6 24.1 36.4 53 52 X V H <> S+ 0 0 60 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.947 111.1 47.2 -72.2 -47.3 -21.7 21.0 37.0 54 53 X V H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.931 114.0 51.3 -55.4 -44.6 -22.6 20.5 33.3 55 54 X D H X S+ 0 0 55 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.921 111.5 44.4 -59.9 -49.0 -18.9 21.1 32.6 56 55 X K H X S+ 0 0 118 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.892 112.7 51.4 -66.2 -39.9 -17.7 18.5 35.1 57 56 X V H X S+ 0 0 37 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.951 113.7 44.0 -63.3 -49.2 -20.3 15.9 34.1 58 57 X M H X S+ 0 0 6 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.929 112.9 52.2 -61.9 -43.2 -19.3 16.2 30.4 59 58 X E H < S+ 0 0 123 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.909 110.5 49.2 -58.6 -42.0 -15.6 16.2 31.3 60 59 X T H < S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 118.2 37.0 -66.2 -43.8 -16.1 13.0 33.3 61 60 X L H < S+ 0 0 15 -4,-2.2 2,-1.6 -5,-0.2 -1,-0.2 0.650 92.7 93.6 -86.4 -12.5 -18.0 11.1 30.6 62 61 X D >< + 0 0 22 -4,-1.9 3,-1.2 -5,-0.2 5,-0.1 -0.524 43.6 166.5 -87.9 80.9 -16.1 12.4 27.5 63 62 X N T 3 S+ 0 0 117 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.756 72.6 48.2 -72.3 -28.0 -13.4 9.7 27.1 64 63 X D T 3 S- 0 0 94 4,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.303 103.5-124.7 -95.4 6.6 -12.3 10.8 23.5 65 64 X G S < S+ 0 0 61 -3,-1.2 -2,-0.1 -6,-0.1 -3,-0.1 0.576 72.1 125.3 72.2 10.1 -11.9 14.5 24.4 66 65 X D S S- 0 0 57 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.519 79.1-115.9 -82.9 0.2 -14.2 15.9 21.6 67 66 X G S S+ 0 0 39 1,-0.3 -37,-0.3 -5,-0.1 2,-0.3 0.571 85.4 85.9 77.9 8.8 -16.3 17.8 24.1 68 67 X E S S- 0 0 48 -39,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.880 77.3-116.6-133.3 164.5 -19.5 15.7 23.4 69 68 X C B -A 28 0A 0 -41,-2.6 -41,-2.9 -2,-0.3 -7,-0.1 -0.923 31.9-167.1-104.4 116.4 -21.0 12.5 24.5 70 69 X D > - 0 0 33 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.209 41.1 -86.9 -89.4-175.0 -21.3 9.9 21.8 71 70 X F H > S+ 0 0 75 -45,-0.5 4,-2.9 1,-0.2 5,-0.2 0.933 127.1 47.8 -63.9 -46.0 -23.3 6.6 21.9 72 71 X Q H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 114.0 47.9 -59.2 -47.3 -20.5 4.6 23.6 73 72 X E H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 110.2 52.1 -64.5 -33.6 -19.9 7.3 26.1 74 73 X F H X S+ 0 0 5 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.925 106.5 54.1 -67.2 -40.5 -23.7 7.5 26.8 75 74 X M H X S+ 0 0 60 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.911 109.5 48.0 -57.6 -43.4 -23.8 3.8 27.4 76 75 X A H X S+ 0 0 54 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.888 110.7 51.2 -66.2 -39.2 -21.0 4.2 30.0 77 76 X F H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.944 109.1 50.4 -61.3 -44.4 -22.9 7.0 31.6 78 77 X V H X S+ 0 0 27 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.910 110.0 50.5 -60.1 -42.1 -26.1 4.9 31.7 79 78 X A H X S+ 0 0 51 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.908 109.4 52.0 -63.2 -40.7 -24.1 2.1 33.4 80 79 X M H X S+ 0 0 100 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 114.8 40.5 -60.0 -49.0 -22.7 4.6 35.9 81 80 X V H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.929 114.8 52.0 -70.2 -37.6 -26.1 5.9 36.9 82 81 X T H X S+ 0 0 84 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.905 111.5 47.9 -62.0 -43.3 -27.7 2.4 36.8 83 82 X T H X S+ 0 0 65 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.901 109.1 52.7 -64.8 -41.6 -24.9 1.2 39.1 84 83 X A H X S+ 0 0 58 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.889 111.0 48.1 -62.6 -40.6 -25.3 4.1 41.5 85 84 X C H X S+ 0 0 43 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.901 111.3 51.2 -61.6 -41.3 -29.1 3.3 41.7 86 85 X H H < S+ 0 0 110 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.935 115.4 40.3 -66.9 -44.4 -28.3 -0.4 42.3 87 86 X E H < S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.807 99.4 73.9 -76.0 -26.6 -25.9 0.4 45.1 88 87 X F H < S+ 0 0 165 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 0.839 92.1 60.6 -62.2 -37.1 -27.9 3.1 46.7 89 88 X F S < S- 0 0 131 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.1 -0.816 87.6-134.9 -90.1 113.6 -30.4 0.6 48.1 90 89 X E 0 0 196 -2,-0.7 -3,-0.1 0, 0.0 -2,-0.1 -0.533 360.0 360.0 -66.5 129.5 -28.8 -2.0 50.5 91 90 X H 0 0 167 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.992 360.0 360.0-150.9 360.0 -30.0 -5.5 49.7