==== 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 3CR4 . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.H.CHARPENTIER . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 70.0 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 2.2 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 . 7 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 1 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 . 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 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 -9.5 -3.5 7.2 2 1 X S > - 0 0 57 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.281 360.0-105.1 -77.2 169.3 -8.5 -4.4 10.7 3 2 X E H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.908 124.4 51.2 -61.3 -43.4 -5.9 -2.5 12.8 4 3 X L H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 110.6 48.1 -56.1 -50.6 -3.5 -5.4 12.2 5 4 X E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.888 113.1 47.5 -60.9 -39.3 -4.1 -5.3 8.5 6 5 X K H X S+ 0 0 98 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.859 109.7 54.2 -67.5 -36.4 -3.6 -1.5 8.4 7 6 X A H X S+ 0 0 49 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.888 104.8 54.5 -65.5 -41.1 -0.4 -1.9 10.5 8 7 X V H X S+ 0 0 71 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.932 110.8 44.1 -56.0 -50.4 1.0 -4.3 8.0 9 8 X V H X S+ 0 0 56 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.887 108.4 58.7 -66.4 -37.1 0.5 -1.9 5.0 10 9 X A H X S+ 0 0 50 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.847 103.4 53.2 -57.3 -35.8 1.9 1.0 7.1 11 10 X L H X S+ 0 0 53 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.2 0.879 112.9 43.0 -67.4 -39.5 5.1 -1.1 7.5 12 11 X I H X S+ 0 0 68 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.870 112.1 55.0 -71.1 -40.4 5.3 -1.5 3.7 13 12 X D H X S+ 0 0 87 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.955 108.7 46.1 -58.2 -52.6 4.4 2.2 3.2 14 13 X V H X S+ 0 0 28 -4,-2.3 4,-1.0 1,-0.2 5,-0.2 0.851 107.5 56.9 -64.1 -37.3 7.2 3.6 5.4 15 14 X F H >X S+ 0 0 2 -4,-1.3 4,-2.9 1,-0.2 3,-0.7 0.955 112.9 41.6 -56.6 -50.1 9.9 1.3 3.9 16 15 X H H 3X S+ 0 0 86 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.745 101.9 66.3 -74.2 -25.8 9.1 2.7 0.4 17 16 X Q H 3< S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.808 121.0 24.9 -58.9 -28.1 8.7 6.4 1.4 18 17 X Y H X< S+ 0 0 9 -4,-1.0 3,-1.0 -3,-0.7 4,-0.4 0.776 116.2 59.6-106.7 -34.6 12.5 6.1 2.2 19 18 X S H >< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.2 8,-0.5 0.820 102.8 52.9 -69.1 -34.1 13.8 3.3 0.1 20 19 X G T 3< S+ 0 0 28 -4,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.458 87.4 83.9 -81.5 -3.1 12.9 4.9 -3.3 21 20 X R T < S+ 0 0 138 -3,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.869 98.3 19.8 -70.1 -38.9 14.6 8.2 -2.6 22 21 X E S < S- 0 0 77 -3,-0.5 5,-0.2 -4,-0.4 7,-0.2 -0.968 110.0 -39.6-136.6 147.5 18.1 7.2 -3.6 23 22 X G S S+ 0 0 68 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.018 116.6 36.2 47.0-128.4 19.8 4.5 -5.8 24 23 X D S > S- 0 0 63 1,-0.2 3,-1.2 2,-0.1 -2,-0.3 -0.411 73.4-150.9 -59.1 118.4 18.3 1.0 -5.5 25 24 X K T 3 S+ 0 0 130 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.686 90.7 52.0 -69.4 -18.3 14.6 1.7 -5.1 26 25 X H T 3 S+ 0 0 129 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.266 104.5 60.2-105.7 10.0 14.0 -1.5 -3.1 27 26 X K S < S- 0 0 51 -3,-1.2 2,-0.7 -8,-0.5 43,-0.2 -0.975 72.7-128.1-136.7 151.6 16.7 -1.0 -0.4 28 27 X L B -A 69 0A 0 41,-3.1 41,-3.0 -2,-0.3 2,-0.1 -0.898 24.3-159.9 -96.2 111.6 17.5 1.6 2.3 29 28 X K >> - 0 0 74 -2,-0.7 4,-2.4 39,-0.2 3,-0.7 -0.433 42.1 -88.8 -76.5 168.7 21.1 2.7 2.1 30 29 X K H 3> S+ 0 0 66 37,-0.5 4,-2.6 1,-0.3 5,-0.2 0.866 127.7 51.6 -49.1 -48.7 22.6 4.3 5.2 31 30 X S H 3> S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.862 112.7 45.8 -60.8 -36.7 21.5 7.9 4.4 32 31 X E H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.890 111.9 51.6 -70.0 -40.6 17.9 6.7 3.8 33 32 X L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.882 108.6 51.1 -62.3 -44.4 17.9 4.6 7.0 34 33 X K H X S+ 0 0 56 -4,-2.6 4,-2.7 -5,-0.2 14,-0.3 0.902 111.0 49.4 -55.6 -45.5 19.1 7.6 9.0 35 34 X E H X S+ 0 0 73 -4,-1.5 4,-2.1 -5,-0.2 5,-0.3 0.911 111.1 48.4 -63.1 -45.7 16.3 9.7 7.6 36 35 X L H X>S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.926 113.8 46.6 -59.8 -49.3 13.7 7.0 8.4 37 36 X I H X5S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 8,-0.2 0.945 115.3 44.7 -60.5 -51.5 14.9 6.6 12.0 38 37 X N H <5S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 125.2 32.5 -63.7 -33.8 15.1 10.4 12.7 39 38 X N H <5S+ 0 0 85 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.753 130.6 28.6 -95.8 -28.7 11.7 11.2 11.1 40 39 X E H <5S+ 0 0 101 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.521 126.1 38.9-114.0 -11.5 9.6 8.1 11.8 41 40 X L S X> S- 0 0 117 1,-0.1 4,-1.4 0, 0.0 3,-0.7 -0.803 71.0-138.8-104.7 139.8 26.9 10.9 13.9 51 50 X Q H 3> S+ 0 0 106 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.852 105.5 63.1 -60.7 -36.5 27.8 8.8 10.8 52 51 X E H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 101.2 51.0 -51.3 -42.3 29.4 6.2 13.1 53 52 X V H <> S+ 0 0 54 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.880 109.0 49.4 -70.5 -39.1 25.9 5.6 14.6 54 53 X V H X S+ 0 0 1 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.913 110.9 52.0 -61.5 -44.9 24.3 5.0 11.2 55 54 X D H X S+ 0 0 67 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 110.1 47.0 -57.3 -48.4 27.1 2.6 10.4 56 55 X K H X S+ 0 0 129 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.850 113.1 48.3 -66.5 -37.0 26.6 0.6 13.5 57 56 X V H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 114.2 47.0 -66.9 -44.1 22.8 0.4 13.1 58 57 X M H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.864 107.9 55.7 -65.7 -36.4 23.4 -0.6 9.4 59 58 X E H < S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.4 48.2 -61.5 -36.2 26.0 -3.2 10.4 60 59 X T H < S+ 0 0 83 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.918 117.4 40.1 -69.5 -42.4 23.4 -4.8 12.7 61 60 X L H < S+ 0 0 6 -4,-1.9 2,-1.2 1,-0.1 -2,-0.2 0.739 93.0 89.0 -81.4 -27.3 20.6 -4.9 10.1 62 61 X D < + 0 0 28 -4,-2.3 3,-0.2 1,-0.2 7,-0.1 -0.617 42.9 164.2 -82.9 95.0 22.7 -5.9 7.1 63 62 X S S S+ 0 0 105 -2,-1.2 -1,-0.2 1,-0.2 6,-0.1 0.605 74.3 47.6 -87.2 -13.3 22.6 -9.7 7.1 64 63 X D S S- 0 0 92 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.319 104.8-121.8-113.0 7.5 23.8 -10.2 3.5 65 64 X G S S+ 0 0 64 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.635 73.9 124.4 72.3 17.7 26.7 -7.8 3.6 66 65 X D S S- 0 0 61 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.420 78.9-117.7 -89.8 2.5 25.7 -5.5 0.7 67 66 X G S S+ 0 0 24 1,-0.2 -37,-0.5 -9,-0.1 2,-0.3 0.541 84.4 91.3 75.8 7.1 25.8 -2.4 3.0 68 67 X E S S- 0 0 43 -39,-0.1 2,-0.7 -38,-0.1 -2,-0.3 -0.881 75.5-120.4-129.9 162.5 22.1 -1.8 2.5 69 68 X C B -A 28 0A 0 -41,-3.0 -41,-3.1 -2,-0.3 -7,-0.1 -0.913 30.8-169.3-107.1 109.2 18.9 -2.7 4.3 70 69 X D > - 0 0 36 -2,-0.7 4,-2.2 -43,-0.2 5,-0.1 -0.165 41.6 -84.7 -84.5-174.1 16.4 -4.6 2.1 71 70 X F H > S+ 0 0 76 -45,-0.4 4,-2.2 2,-0.2 5,-0.1 0.913 127.2 45.1 -66.1 -43.3 12.8 -5.4 3.0 72 71 X Q H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 113.9 50.7 -69.5 -33.4 13.3 -8.6 5.0 73 72 X E H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.852 109.4 52.2 -66.3 -35.2 16.2 -6.9 6.8 74 73 X F H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.882 105.5 54.4 -65.5 -39.5 13.8 -4.0 7.5 75 74 X M H X S+ 0 0 72 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.858 106.9 50.6 -62.6 -38.1 11.3 -6.5 8.9 76 75 X A H X S+ 0 0 49 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.926 108.9 52.6 -64.5 -43.3 13.9 -7.8 11.3 77 76 X F H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 109.0 49.2 -52.9 -50.1 14.5 -4.1 12.3 78 77 X V H X S+ 0 0 19 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.897 108.6 53.5 -58.1 -42.0 10.8 -3.7 13.0 79 78 X A H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 108.9 49.3 -59.4 -42.2 10.8 -6.9 15.1 80 79 X M H X S+ 0 0 87 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 114.6 44.9 -59.0 -49.3 13.7 -5.5 17.2 81 80 X I H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 114.7 46.8 -62.6 -50.9 11.8 -2.2 17.7 82 81 X T H X S+ 0 0 83 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.921 111.5 51.6 -59.7 -46.4 8.4 -3.9 18.5 83 82 X T H X S+ 0 0 73 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.904 111.0 48.8 -56.5 -42.8 10.1 -6.3 20.9 84 83 X A H <>S+ 0 0 30 -4,-2.0 5,-3.3 2,-0.2 6,-0.4 0.900 112.1 47.5 -65.0 -43.1 11.7 -3.3 22.7 85 84 X C H ><5S+ 0 0 52 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.930 110.0 53.9 -59.7 -46.7 8.4 -1.4 22.9 86 85 X H H 3<5S+ 0 0 149 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 107.3 50.9 -56.6 -36.4 6.8 -4.6 24.2 87 86 X E T 3<5S- 0 0 117 -4,-1.6 -1,-0.3 -5,-0.2 3,-0.3 0.260 120.0-111.8 -86.8 11.5 9.4 -4.7 26.9 88 87 X F T < 5 - 0 0 183 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.743 69.4 -63.3 61.5 28.2 8.7 -1.1 27.8 89 88 X F < 0 0 84 -5,-3.3 -1,-0.2 1,-0.2 -4,-0.1 0.932 360.0 360.0 59.3 53.6 12.2 -0.2 26.4 90 89 X E 0 0 222 -6,-0.4 -1,-0.2 -3,-0.3 -5,-0.0 -0.072 360.0 360.0 46.2 360.0 14.2 -2.2 29.0