==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-DEC-98 1B4C . COMPND 2 MOLECULE: PROTEIN (S-100 PROTEIN, BETA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR D.J.WEBER,A.C.DROHAT,N.TJANDRA,D.M.BALDISSERI . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 72.8 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 . 4 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 . 14 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 50.0 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+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 2 0 2 0 2 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 . 2 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 A M 0 0 163 0, 0.0 5,-0.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 -13.4 -10.0 7.2 13.2 2 1 A S > - 0 0 33 130,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.134 360.0 -95.5 -62.7 167.5 -10.7 3.5 12.5 3 2 A E H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.874 127.3 58.3 -54.7 -34.2 -8.0 1.0 13.4 4 3 A L H >> S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 3,-0.6 0.959 100.3 53.8 -63.1 -48.5 -6.8 1.2 9.8 5 4 A E H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.4 0.947 103.3 58.0 -51.6 -47.0 -6.2 5.0 10.0 6 5 A K H 3X S+ 0 0 137 -4,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.911 112.6 40.4 -49.2 -43.3 -4.0 4.3 13.1 7 6 A A H < S+ 0 0 122 -4,-1.4 3,-0.6 -5,-0.3 -2,-0.2 0.927 106.3 40.4 -54.4 -44.5 12.0 7.0 10.8 18 17 A Y H >< S+ 0 0 63 -4,-1.4 2,-0.8 1,-0.3 3,-0.5 0.937 121.2 43.4 -71.4 -44.2 14.5 5.7 8.2 19 18 A S T 3< S+ 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.412 83.7 99.8 -98.6 61.0 14.6 9.0 6.2 20 19 A G T < + 0 0 42 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.483 59.6 81.3-117.6 -10.4 14.7 11.4 9.2 21 20 A R S < S- 0 0 196 -3,-0.5 -2,-0.1 -4,-0.1 -4,-0.0 0.866 127.4 -23.7 -65.3 -32.8 18.5 12.1 9.0 22 21 A E - 0 0 143 3,-0.1 -3,-0.1 0, 0.0 -2,-0.1 0.471 60.3-175.4-146.5 -45.2 17.9 14.6 6.2 23 22 A G + 0 0 37 1,-0.1 -4,-0.1 4,-0.1 -3,-0.1 0.698 40.2 139.8 49.2 11.0 14.6 14.0 4.3 24 23 A D + 0 0 124 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.969 67.9 30.8 -49.2 -57.2 16.0 16.8 2.1 25 24 A K S S- 0 0 156 2,-0.1 -3,-0.1 1,-0.0 0, 0.0 -0.308 79.7-133.0 -90.4-178.2 14.8 15.1 -1.0 26 25 A H S S+ 0 0 118 -2,-0.1 45,-0.4 2,-0.0 2,-0.3 -0.283 70.2 99.9-130.3 46.5 11.7 12.8 -1.3 27 26 A K - 0 0 113 43,-0.1 2,-0.4 44,-0.1 43,-0.2 -0.966 53.4-152.9-132.5 149.7 13.3 9.9 -3.2 28 27 A L B -A 69 0A 18 41,-2.9 41,-2.8 -2,-0.3 2,-0.2 -0.960 16.2-131.6-123.6 140.0 14.6 6.4 -2.1 29 28 A K > - 0 0 111 -2,-0.4 4,-2.8 39,-0.2 5,-0.2 -0.579 17.8-124.4 -88.4 153.9 17.3 4.4 -3.9 30 29 A K H > S+ 0 0 61 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.922 109.9 59.1 -62.7 -42.4 16.7 0.7 -4.6 31 30 A S H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 114.9 35.7 -56.0 -39.6 20.0 -0.3 -2.8 32 31 A E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.866 114.5 57.5 -83.1 -33.9 18.6 1.3 0.4 33 32 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 3,-0.5 0.961 104.1 52.8 -60.2 -48.1 15.0 0.2 -0.4 34 33 A K H >X S+ 0 0 77 -4,-3.5 4,-1.9 1,-0.3 3,-1.1 0.974 104.4 54.6 -52.2 -55.9 16.1 -3.5 -0.6 35 34 A E H 3X S+ 0 0 88 -4,-1.3 4,-1.0 1,-0.3 -1,-0.3 0.880 104.5 56.4 -47.5 -35.9 17.8 -3.2 2.9 36 35 A L H >X S+ 0 0 11 -4,-1.6 4,-1.0 -3,-0.5 3,-0.7 0.922 104.1 52.3 -65.0 -37.9 14.4 -2.0 4.1 37 36 A I H 4 S+ 0 0 85 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.957 108.8 44.6 -74.2 -50.1 8.8 -11.7 9.0 44 43 A F G >4 S+ 0 0 31 1,-0.3 3,-1.0 -4,-0.2 -1,-0.2 0.751 90.3 89.1 -66.3 -19.8 6.3 -12.4 6.2 45 44 A L G >< S+ 0 0 94 -4,-0.9 3,-0.5 1,-0.3 -1,-0.3 0.822 85.2 55.1 -48.5 -28.4 9.1 -14.2 4.3 46 45 A E G < S+ 0 0 173 -3,-1.4 2,-1.1 -4,-0.3 -1,-0.3 0.893 101.6 56.2 -74.6 -38.3 8.0 -17.3 6.2 47 46 A E G < S+ 0 0 57 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.303 88.9 104.8 -90.5 55.6 4.3 -17.1 5.0 48 47 A I < + 0 0 28 -2,-1.1 3,-0.1 -3,-0.5 37,-0.1 -0.872 32.9 166.8-128.8 163.0 5.1 -17.1 1.2 49 48 A K + 0 0 138 -2,-0.3 2,-3.6 35,-0.1 3,-0.3 0.478 64.5 75.9-143.0 -46.3 4.8 -19.8 -1.5 50 49 A E >> + 0 0 61 34,-0.4 3,-3.4 1,-0.2 4,-1.2 -0.248 55.2 169.6 -71.7 60.2 5.2 -18.2 -5.0 51 50 A Q H 3> S+ 0 0 113 -2,-3.6 4,-2.1 1,-0.3 -1,-0.2 0.804 73.1 63.4 -44.8 -27.9 8.9 -18.0 -4.4 52 51 A E H 3> S+ 0 0 133 -3,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.807 97.8 54.8 -72.2 -23.3 9.1 -17.1 -8.2 53 52 A V H <> S+ 0 0 49 -3,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.961 111.1 42.8 -73.3 -48.0 7.1 -14.0 -7.5 54 53 A V H X S+ 0 0 20 -4,-1.2 4,-2.3 1,-0.2 5,-0.3 0.899 108.8 61.4 -63.7 -35.8 9.5 -12.7 -4.9 55 54 A D H X S+ 0 0 108 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.931 105.1 46.2 -56.8 -44.5 12.4 -13.8 -7.2 56 55 A K H X S+ 0 0 137 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.831 108.7 57.9 -70.9 -26.5 11.2 -11.4 -9.9 57 56 A V H X S+ 0 0 4 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.992 103.9 48.9 -65.7 -57.5 10.8 -8.6 -7.2 58 57 A M H X S+ 0 0 67 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.834 116.7 45.8 -52.6 -27.0 14.5 -8.8 -6.1 59 58 A E H X S+ 0 0 121 -4,-1.1 4,-1.1 -5,-0.3 -1,-0.3 0.845 110.8 51.5 -85.3 -32.8 15.3 -8.6 -9.8 60 59 A T H < S+ 0 0 67 -4,-2.6 -2,-0.2 2,-0.2 3,-0.2 0.962 112.5 46.0 -69.1 -45.1 12.8 -5.8 -10.5 61 60 A L H >< S+ 0 0 4 -4,-3.3 3,-1.7 1,-0.3 -2,-0.2 0.992 112.4 48.7 -58.9 -58.7 14.3 -3.7 -7.6 62 61 A D H 3< S+ 0 0 101 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.3 0.799 110.7 55.8 -51.9 -23.5 17.9 -4.4 -8.8 63 62 A E T 3< + 0 0 121 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 -0.145 65.2 144.5-101.9 39.9 16.5 -3.3 -12.2 64 63 A D < - 0 0 21 -3,-1.7 -1,-0.2 1,-0.2 4,-0.1 0.874 26.3-177.8 -44.8 -39.2 15.3 0.0 -11.0 65 64 A G + 0 0 82 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.450 66.9 77.9 53.9 -7.7 16.3 1.4 -14.4 66 65 A D S S- 0 0 102 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.549 92.9-132.8-107.6 -8.4 15.1 4.8 -13.0 67 66 A G S S+ 0 0 51 2,-0.0 2,-0.3 0, 0.0 -37,-0.1 0.129 88.3 44.4 80.0 -28.5 18.2 5.7 -10.8 68 67 A E S S- 0 0 68 -4,-0.1 2,-0.5 -39,-0.1 -39,-0.2 -0.968 70.2-149.3-151.3 133.5 15.7 6.6 -8.0 69 68 A C B -A 28 0A 1 -41,-2.8 -41,-2.9 -2,-0.3 -5,-0.0 -0.880 18.2-150.5-104.8 126.9 12.6 4.9 -6.6 70 69 A D > - 0 0 48 -2,-0.5 4,-1.0 -43,-0.2 -43,-0.1 -0.142 34.0 -96.0 -82.3-174.4 9.8 7.2 -5.1 71 70 A F H > S+ 0 0 33 -45,-0.4 4,-2.5 1,-0.2 5,-0.3 0.865 123.2 62.3 -73.6 -32.7 7.4 6.3 -2.3 72 71 A Q H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 103.3 49.8 -59.8 -36.6 4.8 5.3 -4.9 73 72 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.829 109.0 53.2 -72.6 -26.3 7.2 2.5 -6.1 74 73 A F H X S+ 0 0 21 -4,-1.0 4,-1.9 -3,-0.2 -2,-0.2 0.906 105.9 51.2 -75.7 -39.5 7.7 1.4 -2.5 75 74 A M H X S+ 0 0 12 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.869 114.3 46.4 -67.8 -28.7 3.9 1.0 -1.8 76 75 A A H X S+ 0 0 39 -4,-1.4 4,-2.4 -5,-0.3 3,-0.5 0.973 112.6 45.2 -76.9 -54.8 3.7 -1.1 -5.0 77 76 A F H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.3 5,-0.2 0.886 113.1 54.3 -56.9 -33.0 6.8 -3.4 -4.4 78 77 A V H X S+ 0 0 12 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.3 0.883 108.9 48.5 -68.7 -34.8 5.5 -3.8 -0.9 79 78 A S H X S+ 0 0 13 -4,-1.1 4,-4.6 -3,-0.5 5,-0.5 0.971 109.1 50.2 -70.3 -53.0 2.1 -4.9 -2.2 80 79 A M H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.951 113.2 46.7 -51.5 -51.0 3.4 -7.5 -4.7 81 80 A V H X S+ 0 0 10 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.932 118.5 42.0 -59.6 -42.4 5.6 -9.1 -2.0 82 81 A T H >< S+ 0 0 22 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.959 121.2 40.6 -69.6 -48.0 2.7 -9.1 0.5 83 82 A T H 3< S+ 0 0 21 -4,-4.6 -2,-0.2 1,-0.2 -1,-0.2 0.707 94.9 85.6 -72.8 -17.0 0.1 -10.2 -2.2 84 83 A A H 3< S+ 0 0 8 -4,-2.4 2,-2.1 -5,-0.5 -34,-0.4 0.920 74.2 75.0 -51.4 -40.8 2.7 -12.6 -3.5 85 84 A C S << S- 0 0 22 -3,-0.8 -1,-0.2 -4,-0.7 3,-0.2 -0.488 94.3-137.8 -73.4 85.0 1.5 -15.1 -0.9 86 85 A H S S+ 0 0 91 -2,-2.1 -2,-0.1 1,-0.2 4,-0.1 -0.101 83.2 11.6 -43.8 135.8 -1.7 -16.0 -2.7 87 86 A E S > S+ 0 0 81 -4,-0.1 3,-0.9 1,-0.1 -1,-0.2 0.984 72.8 173.8 57.2 60.2 -4.6 -16.2 -0.2 88 87 A F T 3 + 0 0 33 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.823 69.6 75.6 -69.0 -26.0 -2.6 -14.6 2.7 89 88 A F T 3 S+ 0 0 60 1,-0.2 2,-3.2 2,-0.1 -1,-0.2 0.877 77.1 78.5 -52.9 -34.6 -5.9 -14.6 4.7 90 89 A E S < S+ 0 0 122 -3,-0.9 2,-0.6 -4,-0.1 -1,-0.2 -0.293 70.4 174.9 -73.2 63.6 -5.3 -18.3 5.2 91 90 A H 0 0 117 -2,-3.2 -3,-0.1 1,-0.2 -2,-0.1 -0.595 360.0 360.0 -74.8 117.7 -2.7 -17.7 7.9 92 91 A E 0 0 220 -2,-0.6 -1,-0.2 0, 0.0 -2,-0.0 0.417 360.0 360.0-157.7 360.0 -1.6 -21.1 9.3 93 !* 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 94 0 B M 0 0 161 0, 0.0 5,-0.1 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 -13.4 7.5 -7.6 14.7 95 1 B S > - 0 0 33 -56,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.135 360.0 -95.5 -62.7 167.5 8.4 -3.9 14.2 96 2 B E H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.874 127.3 58.3 -54.7 -34.2 5.6 -1.4 14.6 97 3 B L H >> S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 3,-0.6 0.959 100.3 53.8 -63.1 -48.5 5.0 -1.6 10.9 98 4 B E H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.4 0.947 103.3 58.0 -51.6 -47.0 4.4 -5.3 10.9 99 5 B K H 3X S+ 0 0 138 -4,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.910 112.6 40.4 -49.1 -43.5 1.7 -4.7 13.5 100 6 B A H < S+ 0 0 124 -4,-1.4 3,-0.6 -5,-0.3 -2,-0.2 0.927 106.3 40.4 -54.5 -44.5 -13.7 -7.4 8.4 111 17 B Y H >< S+ 0 0 65 -4,-1.4 2,-0.8 1,-0.3 3,-0.5 0.938 121.2 43.4 -71.4 -44.2 -15.7 -6.1 5.5 112 18 B S T 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.412 83.7 99.8 -98.6 61.0 -15.4 -9.3 3.4 113 19 B G T < + 0 0 43 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.483 59.6 81.4-117.6 -10.3 -16.1 -11.8 6.3 114 20 B R S < S- 0 0 194 -3,-0.5 -2,-0.1 -4,-0.1 -4,-0.0 0.866 127.4 -23.7 -65.4 -32.7 -19.7 -12.5 5.4 115 21 B E - 0 0 143 3,-0.1 -3,-0.1 0, 0.0 -2,-0.1 0.470 60.3-175.4-146.5 -45.2 -18.6 -14.9 2.7 116 22 B G + 0 0 38 1,-0.1 -4,-0.1 4,-0.1 -3,-0.1 0.698 40.2 139.8 49.2 10.9 -15.1 -14.3 1.4 117 23 B D + 0 0 122 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.969 67.9 30.8 -49.1 -57.3 -16.1 -17.1 -1.0 118 24 B K S S- 0 0 154 2,-0.1 -3,-0.1 1,-0.0 0, 0.0 -0.310 79.7-133.0 -90.3-178.2 -14.3 -15.3 -3.8 119 25 B H S S+ 0 0 116 -2,-0.1 45,-0.4 2,-0.0 2,-0.3 -0.283 70.2 99.9-130.3 46.5 -11.2 -13.1 -3.5 120 26 B K - 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