==== 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 METAL BINDING PROTEIN 04-APR-08 3CR5 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.H.CHARPENTIER . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6373.0 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 . 4 4.4 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 . 1 1.1 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 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 0 159 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 -9.6 -3.6 7.8 2 1 X S > - 0 0 56 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.207 360.0-103.3 -75.6 171.8 -8.7 -4.4 11.4 3 2 X E H > S+ 0 0 160 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.887 125.1 51.6 -60.3 -39.0 -6.1 -2.4 13.4 4 3 X L H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 109.1 49.6 -65.4 -47.4 -3.6 -5.2 12.8 5 4 X E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 112.7 46.5 -58.1 -47.0 -4.3 -5.2 9.0 6 5 X K H X S+ 0 0 123 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.880 110.7 54.2 -63.7 -35.6 -3.8 -1.4 8.9 7 6 X A H X S+ 0 0 48 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.923 106.4 51.6 -61.8 -44.6 -0.6 -1.7 11.0 8 7 X V H X S+ 0 0 71 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.925 110.8 47.4 -58.2 -42.7 0.8 -4.2 8.6 9 8 X V H X S+ 0 0 65 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.864 107.2 57.5 -70.7 -32.0 0.2 -1.9 5.6 10 9 X A H X S+ 0 0 55 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.878 103.5 52.9 -64.7 -39.3 1.8 1.0 7.5 11 10 X L H X S+ 0 0 58 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.928 111.6 46.6 -59.1 -46.2 5.0 -1.0 7.9 12 11 X I H X S+ 0 0 59 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.936 112.8 49.7 -59.6 -47.6 5.0 -1.5 4.1 13 12 X D H X S+ 0 0 91 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.881 110.1 48.6 -64.9 -41.7 4.3 2.2 3.4 14 13 X V H X S+ 0 0 31 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.874 110.7 52.0 -66.7 -33.9 7.0 3.5 5.7 15 14 X F H >X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 3,-0.6 0.967 113.9 42.3 -63.8 -49.0 9.5 1.2 4.2 16 15 X H H 3X S+ 0 0 87 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.827 106.0 64.8 -66.1 -33.9 8.6 2.3 0.6 17 16 X Q H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 117.9 24.3 -53.6 -40.3 8.5 6.0 1.8 18 17 X Y H X< S+ 0 0 4 -4,-1.3 3,-1.0 -3,-0.6 4,-0.4 0.793 117.0 59.8 -99.1 -32.7 12.2 5.9 2.5 19 18 X S H 3< S+ 0 0 0 -4,-2.9 8,-0.5 1,-0.2 3,-0.5 0.791 100.3 56.8 -68.3 -26.0 13.6 3.1 0.3 20 19 X G T 3< S+ 0 0 34 -4,-1.4 -1,-0.2 -5,-0.2 5,-0.1 0.536 85.8 81.5 -86.7 -4.3 12.4 4.8 -2.9 21 20 X R S < S+ 0 0 129 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.849 99.1 14.3 -72.2 -38.6 14.3 8.0 -2.4 22 21 X E S S- 0 0 76 -3,-0.5 5,-0.2 -4,-0.4 7,-0.2 -0.988 107.9 -30.0-142.1 150.0 17.8 7.0 -3.6 23 22 X G S S+ 0 0 68 -2,-0.3 2,-0.3 2,-0.1 5,-0.0 -0.132 118.6 29.9 51.0-131.2 19.6 4.2 -5.5 24 23 X D S > S- 0 0 65 1,-0.2 3,-1.4 2,-0.1 -2,-0.2 -0.436 74.8-149.9 -62.4 119.2 18.0 0.8 -5.2 25 24 X K T 3 S+ 0 0 155 -2,-0.3 -1,-0.2 1,-0.3 -4,-0.1 0.592 91.0 52.1 -74.2 -5.2 14.3 1.6 -4.8 26 25 X H T 3 S+ 0 0 109 -6,-0.1 45,-0.4 -7,-0.0 2,-0.3 0.200 103.4 60.0-116.5 14.2 13.7 -1.5 -2.7 27 26 X K S < S- 0 0 50 -3,-1.4 2,-0.7 -8,-0.5 43,-0.2 -0.982 75.7-124.6-138.1 150.7 16.4 -1.1 -0.1 28 27 X L B -A 69 0A 0 41,-3.0 41,-2.4 -2,-0.3 2,-0.1 -0.868 25.0-159.9 -89.3 113.3 17.3 1.4 2.5 29 28 X K > - 0 0 71 -2,-0.7 4,-2.5 39,-0.2 3,-0.5 -0.427 42.4 -90.7 -79.5 172.4 20.9 2.7 2.1 30 29 X K H > S+ 0 0 72 37,-0.4 4,-2.4 1,-0.2 5,-0.2 0.875 127.8 53.9 -55.4 -40.9 22.4 4.3 5.2 31 30 X S H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 111.6 44.6 -59.2 -41.7 21.2 7.8 4.2 32 31 X E H > S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.891 111.8 52.7 -71.8 -38.2 17.6 6.6 3.8 33 32 X L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.890 107.2 52.4 -64.3 -39.6 17.7 4.6 7.1 34 33 X K H X S+ 0 0 66 -4,-2.4 4,-2.4 -5,-0.2 14,-0.3 0.913 110.2 48.4 -62.2 -44.0 19.0 7.7 9.0 35 34 X E H X S+ 0 0 64 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.886 110.7 51.1 -62.9 -40.9 16.0 9.7 7.6 36 35 X L H X>S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.6 0.955 112.9 44.7 -61.7 -52.0 13.5 7.0 8.6 37 36 X I H X5S+ 0 0 4 -4,-2.5 4,-1.6 3,-0.2 8,-0.2 0.919 116.8 45.2 -56.5 -47.2 14.8 6.7 12.2 38 37 X N H <5S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 124.0 32.9 -69.7 -35.8 15.0 10.6 12.6 39 38 X N H <5S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.715 131.9 26.9 -94.2 -24.0 11.6 11.3 11.1 40 39 X E H <5S+ 0 0 83 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.552 123.3 42.6-119.9 -14.7 9.6 8.2 12.1 41 40 X L X< + 0 0 24 -4,-1.6 4,-3.3 -5,-0.6 3,-0.4 0.049 69.3 126.5-120.8 31.0 11.1 6.8 15.3 42 41 X S T 4 S+ 0 0 75 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.616 79.0 43.1 -66.5 -14.8 11.7 10.1 17.1 43 42 X H T 4 S+ 0 0 174 -3,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.713 121.8 38.0-100.4 -23.9 9.8 8.9 20.2 44 43 X F T 4 S+ 0 0 125 -3,-0.4 2,-0.3 1,-0.2 -2,-0.2 0.733 118.7 37.9 -94.8 -30.6 11.4 5.4 20.3 45 44 X L S < S- 0 0 65 -4,-3.3 -1,-0.2 -8,-0.2 3,-0.1 -0.955 82.8-104.1-133.8 147.8 15.0 6.2 19.3 46 45 X E - 0 0 115 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.0 -0.344 50.5 -97.1 -65.0 139.8 17.6 8.8 19.8 47 46 X E - 0 0 140 -5,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.370 36.0-130.1 -57.4 135.2 18.1 11.2 16.8 48 47 X I + 0 0 8 -14,-0.3 -10,-0.1 1,-0.1 -1,-0.1 -0.835 41.4 154.4 -91.6 124.4 21.1 10.1 14.7 49 48 X K + 0 0 109 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.562 54.8 69.0-118.5 -22.5 23.6 13.0 13.9 50 49 X E S >> S- 0 0 130 1,-0.1 4,-1.4 0, 0.0 3,-0.7 -0.850 70.8-137.0-110.6 140.8 26.8 11.1 13.3 51 50 X Q H 3> S+ 0 0 112 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.882 105.9 63.3 -60.8 -38.6 27.8 8.7 10.4 52 51 X E H 3> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.862 101.7 50.0 -48.9 -44.7 29.3 6.4 13.0 53 52 X V H <> S+ 0 0 70 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.883 112.2 43.4 -71.4 -42.5 25.9 5.8 14.6 54 53 X V H X S+ 0 0 2 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.872 110.5 58.5 -70.7 -34.2 24.0 5.0 11.4 55 54 X D H X S+ 0 0 69 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.949 108.6 46.0 -50.6 -49.0 27.0 2.8 10.4 56 55 X K H X S+ 0 0 74 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.910 112.5 48.2 -65.1 -47.6 26.5 0.8 13.6 57 56 X V H X S+ 0 0 31 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.935 112.9 48.9 -59.7 -44.9 22.7 0.5 13.2 58 57 X M H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.888 107.5 55.6 -62.4 -36.5 23.2 -0.6 9.6 59 58 X E H < S+ 0 0 148 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.877 109.9 46.5 -59.9 -40.8 25.8 -3.2 10.7 60 59 X T H < S+ 0 0 80 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.907 119.5 39.0 -66.3 -43.6 23.2 -4.7 13.1 61 60 X L H < S+ 0 0 8 -4,-2.2 2,-1.4 -5,-0.2 -2,-0.2 0.725 93.0 89.9 -81.8 -24.7 20.5 -4.8 10.5 62 61 X D >< + 0 0 26 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.1 -0.573 43.2 166.2 -87.6 89.1 22.5 -5.8 7.5 63 62 X S T 3 S+ 0 0 107 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.686 74.2 45.8 -78.0 -20.3 22.4 -9.7 7.4 64 63 X D T 3 S- 0 0 91 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.267 104.0-121.3-108.7 14.9 23.7 -10.2 3.9 65 64 X G S < S+ 0 0 66 -3,-0.9 -2,-0.1 1,-0.1 -3,-0.0 0.696 73.0 126.0 62.8 22.2 26.6 -7.7 3.9 66 65 X D S S- 0 0 69 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.386 79.5-114.8 -92.8 4.6 25.4 -5.5 1.0 67 66 X G S S+ 0 0 27 1,-0.3 -37,-0.4 -5,-0.1 2,-0.3 0.486 86.3 87.7 80.5 4.3 25.6 -2.4 3.1 68 67 X E S S- 0 0 42 -39,-0.1 2,-0.6 -38,-0.1 -2,-0.3 -0.845 75.7-120.0-132.7 166.6 21.8 -1.8 2.8 69 68 X C B -A 28 0A 0 -41,-2.4 -41,-3.0 -2,-0.3 -7,-0.1 -0.933 30.7-165.1-111.4 108.1 18.6 -2.9 4.7 70 69 X D > - 0 0 33 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.171 41.2 -88.6 -82.2-174.8 16.2 -4.8 2.5 71 70 X F H > S+ 0 0 69 -45,-0.4 4,-2.5 2,-0.2 5,-0.2 0.933 128.5 49.6 -68.4 -43.7 12.5 -5.5 3.3 72 71 X Q H > S+ 0 0 135 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 113.2 47.8 -54.6 -46.9 13.3 -8.7 5.3 73 72 X E H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.872 110.1 52.6 -63.1 -37.1 16.0 -6.9 7.2 74 73 X F H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.885 104.9 54.6 -67.2 -39.1 13.6 -4.1 7.9 75 74 X M H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.882 107.5 50.8 -59.2 -38.4 11.1 -6.6 9.2 76 75 X A H X S+ 0 0 55 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.890 109.4 51.3 -65.5 -39.6 13.8 -7.7 11.7 77 76 X F H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.951 109.1 49.8 -60.2 -49.1 14.3 -4.1 12.7 78 77 X V H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.908 109.5 52.1 -55.7 -42.8 10.6 -3.7 13.3 79 78 X A H X S+ 0 0 54 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 110.1 49.3 -61.6 -41.7 10.6 -6.9 15.4 80 79 X M H X S+ 0 0 92 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 113.6 45.0 -60.9 -46.9 13.5 -5.4 17.5 81 80 X I H X S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.927 114.2 48.5 -65.1 -47.6 11.8 -2.1 18.0 82 81 X T H X S+ 0 0 83 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.887 111.9 49.3 -61.2 -42.9 8.4 -3.6 18.9 83 82 X T H X S+ 0 0 71 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.905 112.0 48.4 -61.7 -43.7 10.0 -6.1 21.4 84 83 X A H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.904 113.4 47.0 -68.1 -39.2 11.9 -3.3 23.1 85 84 X C H X S+ 0 0 31 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.930 110.6 52.1 -62.9 -48.0 8.8 -1.1 23.3 86 85 X H H < S+ 0 0 102 -4,-2.6 4,-0.3 1,-0.2 3,-0.3 0.928 114.6 43.3 -54.8 -47.1 6.7 -4.0 24.7 87 86 X E H >< S+ 0 0 127 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.837 103.8 63.5 -73.2 -32.9 9.2 -4.7 27.4 88 87 X F H 3< S+ 0 0 173 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.1 45.0 -54.3 -37.7 9.9 -1.0 28.3 89 88 X F T 3< S+ 0 0 156 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.421 108.3 64.2 -93.7 -0.2 6.2 -0.7 29.5 90 89 X E < 0 0 112 -3,-1.0 0, 0.0 -4,-0.3 0, 0.0 -0.754 360.0 360.0-123.4 168.4 5.9 -3.9 31.5 91 90 X H 0 0 241 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.426 360.0 360.0 -90.1 360.0 7.4 -5.5 34.5