==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-FEB-05 1YUS . COMPND 2 MOLECULE: S100 CALCIUM BINDING PROTEIN A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,A.FANTONI,L.TENORI, . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.8 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 . 6 3.1 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 . 1 0.5 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 . 1 0.5 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 . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 42.9 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 3 1 2 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 . 3 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 1 A M 0 0 233 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.3 -11.9 -16.5 14.9 2 2 A A + 0 0 72 1,-0.1 192,-0.1 2,-0.0 191,-0.0 -0.730 360.0 135.2 -84.0 109.0 -11.1 -13.9 12.2 3 3 A A + 0 0 91 -2,-0.7 -1,-0.1 190,-0.7 191,-0.0 -0.351 17.1 152.7-156.0 63.1 -13.4 -14.5 9.2 4 4 A E - 0 0 15 1,-0.1 2,-2.2 0, 0.0 189,-0.1 -0.460 63.3 -92.2 -84.6 169.1 -14.9 -11.4 7.7 5 5 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.351 74.3 149.2 -81.9 60.5 -16.0 -11.1 4.1 6 6 A L - 0 0 47 -2,-2.2 2,-0.3 139,-0.1 139,-0.1 -0.205 30.7-155.1 -82.2 176.5 -12.6 -9.6 3.1 7 7 A T >> - 0 0 47 137,-0.3 4,-2.7 -2,-0.1 3,-0.9 -0.951 38.4 -82.3-154.9 159.2 -10.9 -10.1 -0.3 8 8 A E H 3> S+ 0 0 71 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.765 127.2 50.4 -40.9 -46.7 -7.2 -10.1 -1.6 9 9 A L H 3> S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.951 115.9 42.0 -61.7 -47.7 -7.0 -6.3 -1.9 10 10 A E H X> S+ 0 0 0 -3,-0.9 4,-2.9 1,-0.2 3,-0.6 0.970 111.3 56.8 -58.7 -52.5 -8.4 -5.9 1.7 11 11 A E H 3X S+ 0 0 100 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.854 105.4 51.8 -49.7 -37.9 -6.1 -8.7 2.8 12 12 A S H 3X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.925 112.6 45.2 -64.5 -43.4 -3.1 -6.7 1.4 13 13 A I H X S+ 0 0 57 -4,-2.6 4,-2.5 -5,-0.2 3,-1.7 0.841 98.1 69.2 -70.6 -30.7 -0.7 -5.2 11.0 19 19 A T H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 -3,-0.4 -2,-0.2 0.889 89.2 63.6 -59.8 -34.7 3.0 -5.1 9.8 20 20 A F T 3< S+ 0 0 22 -4,-1.2 10,-0.4 -3,-0.3 -1,-0.3 0.827 111.8 38.4 -50.4 -36.4 3.4 -1.9 11.8 21 21 A F T <4 S+ 0 0 71 -3,-1.7 2,-0.5 -4,-0.4 5,-0.4 0.912 107.5 73.0 -75.8 -51.4 2.7 -4.2 14.8 22 22 A T S < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.894 75.7 104.2-117.9 122.1 4.6 -7.3 13.5 23 23 A F S S- 0 0 57 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.2 0.585 76.3 -13.2-166.3 178.8 7.6 -6.7 13.8 24 24 A A S S- 0 0 65 -3,-0.2 2,-0.0 -2,-0.0 -1,-0.0 -0.869 108.4 -75.5 -98.1 139.5 10.7 -7.0 15.4 25 25 A R S S+ 0 0 210 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.092 89.7 128.0 -48.8 106.2 8.9 -8.7 18.3 26 26 A Q - 0 0 115 -5,-0.4 2,-0.2 2,-0.1 -3,-0.1 -0.887 54.1-110.8-145.3 166.2 7.2 -5.8 20.2 27 27 A E S S+ 0 0 125 -2,-0.3 2,-0.0 -5,-0.0 -5,-0.0 -0.655 75.5 1.8-100.4 160.4 3.6 -5.2 21.4 28 28 A G S S- 0 0 42 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.319 89.0 -86.0 67.6-151.2 1.1 -2.6 20.1 29 29 A R - 0 0 123 1,-0.1 -8,-0.2 2,-0.0 -9,-0.1 -0.929 16.0-146.3-156.5 139.2 2.1 -0.4 17.2 30 30 A K - 0 0 120 -10,-0.4 -1,-0.1 -2,-0.3 -9,-0.1 0.945 40.9-121.6 -73.6 -50.8 3.9 3.0 17.2 31 31 A D S S- 0 0 45 -11,-0.1 2,-0.1 41,-0.0 39,-0.0 0.981 79.2 -21.2 75.9 59.7 2.1 4.5 14.2 32 32 A S - 0 0 1 40,-0.1 40,-0.1 2,-0.1 3,-0.1 0.530 61.9-116.5-125.3-145.0 4.8 4.8 12.7 33 33 A L - 0 0 55 1,-0.2 38,-3.0 37,-0.1 2,-0.1 -0.109 58.0 -70.4 -84.5-167.5 8.6 5.2 12.9 34 34 A S B > -A 70 0A 47 36,-0.3 4,-2.7 1,-0.1 -1,-0.2 -0.358 44.7-110.3 -86.3 171.3 10.6 8.3 11.8 35 35 A V H > S+ 0 0 15 32,-1.7 4,-2.3 34,-1.2 33,-0.1 0.941 114.0 37.1 -78.6 -51.0 10.9 9.4 8.1 36 36 A N H > S+ 0 0 65 31,-0.6 4,-2.9 2,-0.2 5,-0.2 0.977 117.1 55.4 -62.5 -49.2 14.6 8.7 7.3 37 37 A E H > S+ 0 0 89 1,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.917 107.7 50.3 -41.9 -57.6 14.3 5.6 9.5 38 38 A F H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 -1,-0.3 0.912 110.2 48.0 -47.3 -53.8 11.4 4.6 7.3 39 39 A K H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.937 114.4 46.7 -59.4 -45.7 13.4 5.2 4.0 40 40 A E H X S+ 0 0 106 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.947 112.8 50.9 -56.7 -51.8 16.4 3.2 5.4 41 41 A L H X S+ 0 0 29 -4,-3.3 4,-3.2 -5,-0.2 5,-0.3 0.949 110.7 47.4 -53.1 -56.0 14.0 0.4 6.6 42 42 A V H X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.949 113.5 46.6 -59.4 -47.1 12.3 0.1 3.2 43 43 A T H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.8 46.4 -60.8 -35.0 15.6 -0.0 1.2 44 44 A Q H < S+ 0 0 133 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.901 113.7 47.3 -67.5 -44.7 16.9 -2.6 3.8 45 45 A Q H < S+ 0 0 21 -4,-3.2 61,-0.8 1,-0.3 64,-0.2 0.762 111.6 54.8 -69.5 -29.9 13.7 -4.6 3.7 46 46 A L >< + 0 0 1 -4,-2.4 3,-0.7 -5,-0.3 -1,-0.3 -0.645 56.5 156.9-105.9 73.8 13.8 -4.6 -0.1 47 47 A P T 3 + 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.004 50.7 100.7 -82.2 31.4 17.3 -6.0 -1.1 48 48 A H T 3 S- 0 0 34 -2,-0.2 -5,-0.0 -5,-0.1 -2,-0.0 0.919 109.1 -62.5 -81.2 -48.7 15.7 -6.9 -4.5 49 49 A L < - 0 0 122 -3,-0.7 -3,-0.0 -6,-0.1 -6,-0.0 0.150 48.4-162.8-160.1 -61.9 17.1 -3.8 -6.4 50 50 A L + 0 0 26 1,-0.1 -7,-0.0 33,-0.1 33,-0.0 0.982 18.3 169.0 57.1 62.5 16.0 -0.3 -5.2 51 51 A K - 0 0 117 2,-0.1 -1,-0.1 5,-0.0 36,-0.0 0.747 26.5-160.8 -72.3 -32.0 17.1 1.5 -8.3 52 52 A D + 0 0 26 1,-0.1 2,-0.3 31,-0.1 31,-0.1 0.930 20.9 158.8 57.9 90.7 15.1 4.6 -6.9 53 53 A V - 0 0 81 30,-0.1 2,-2.3 3,-0.1 -1,-0.1 -1.000 53.3 -7.4-144.7 144.6 14.2 7.2 -9.5 54 54 A G S > S+ 0 0 32 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 -0.434 135.4 42.1 81.2 -70.7 11.7 10.1 -10.0 55 55 A S H > S+ 0 0 0 -2,-2.3 4,-2.8 27,-0.2 -1,-0.3 0.735 107.9 64.0 -80.9 -18.6 9.6 9.4 -6.9 56 56 A L H > S+ 0 0 24 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.980 101.9 49.6 -49.9 -58.5 13.0 8.8 -5.2 57 57 A D H > S+ 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.900 112.5 46.4 -52.6 -51.4 13.6 12.5 -6.0 58 58 A E H X S+ 0 0 69 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.912 119.2 41.2 -49.3 -53.5 10.1 13.4 -4.4 59 59 A K H X S+ 0 0 2 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.984 110.2 55.0 -66.4 -59.5 10.8 11.2 -1.4 60 60 A M H X S+ 0 0 122 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.868 113.8 42.5 -39.4 -54.2 14.5 12.1 -0.8 61 61 A K H X S+ 0 0 116 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.971 113.2 51.7 -62.7 -52.8 13.6 15.8 -0.7 62 62 A S H X S+ 0 0 61 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.870 114.9 43.8 -48.3 -42.4 10.4 15.2 1.5 63 63 A L H X S+ 0 0 6 -4,-3.1 4,-1.2 2,-0.2 -1,-0.2 0.945 110.6 55.4 -67.9 -49.3 12.7 13.2 3.9 64 64 A D H < S+ 0 0 121 -4,-3.0 3,-0.3 -5,-0.3 -2,-0.2 0.880 99.2 64.4 -50.3 -44.7 15.5 15.8 3.8 65 65 A V H < S- 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 133.0 -20.0 -45.2 -69.4 13.0 18.6 4.9 66 66 A N H >< S+ 0 0 103 -4,-0.9 3,-2.0 -3,-0.2 -1,-0.2 -0.312 71.0 158.0-145.7 58.5 12.1 17.3 8.4 67 67 A Q T 3< S+ 0 0 64 -4,-1.2 -32,-1.7 -3,-0.3 -31,-0.6 0.754 70.7 73.3 -55.4 -30.9 13.0 13.6 8.6 68 68 A D T 3 S+ 0 0 136 -34,-0.1 -1,-0.3 -33,-0.1 -5,-0.0 0.843 80.9 92.5 -49.9 -37.5 13.2 13.9 12.4 69 69 A S S < S- 0 0 58 -3,-2.0 -34,-1.2 1,-0.1 2,-0.1 -0.198 88.3-102.9 -57.5 150.1 9.4 14.2 12.3 70 70 A E B -A 34 0A 97 -36,-0.2 2,-0.3 -35,-0.1 -36,-0.3 -0.387 28.1-137.1 -72.1 155.1 7.4 11.0 12.8 71 71 A L - 0 0 4 -38,-3.0 2,-0.3 -2,-0.1 -1,-0.0 -0.718 14.5-155.5-103.4 157.7 5.7 9.1 9.9 72 72 A K >> - 0 0 107 -2,-0.3 4,-2.9 -40,-0.1 3,-0.6 -0.902 34.1 -98.0-135.0 162.6 2.2 7.6 10.0 73 73 A F H 3> S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.3 111,-0.1 0.808 120.0 53.3 -55.8 -38.7 0.6 4.8 8.0 74 74 A N H 3> S+ 0 0 42 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.908 114.4 41.0 -63.1 -44.6 -1.2 7.1 5.5 75 75 A E H <> S+ 0 0 62 -3,-0.6 4,-2.6 1,-0.2 -2,-0.2 0.963 113.4 54.1 -67.4 -51.1 2.1 8.9 4.6 76 76 A Y H X S+ 0 0 7 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.896 104.2 60.9 -42.0 -48.3 4.0 5.6 4.7 77 77 A W H >X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.2 3,-0.8 0.947 109.2 34.3 -49.5 -75.4 1.4 4.3 2.2 78 78 A R H 3X S+ 0 0 78 -4,-1.3 4,-3.3 1,-0.2 5,-0.2 0.880 115.0 61.9 -49.1 -39.2 2.0 6.7 -0.7 79 79 A L H 3X S+ 0 0 12 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.879 110.0 38.3 -61.1 -39.6 5.7 6.7 0.2 80 80 A I H S+ 0 0 30 2,-0.2 3,-1.9 1,-0.2 -1,-0.1 0.993 78.1 19.9 -80.1 -65.5 10.8 -11.2 -8.5 94 94 A K T 3 S+ 0 0 82 1,-0.3 -1,-0.2 9,-0.1 3,-0.1 0.730 114.0 72.8 -79.5 -18.7 10.4 -13.5 -5.4 95 95 A I T 3 S- 0 0 113 1,-0.2 2,-2.7 2,-0.1 -1,-0.3 0.694 90.1-160.8 -57.9 -19.9 12.2 -16.1 -7.4 96 96 A R < - 0 0 114 -3,-1.9 -1,-0.2 -4,-0.3 -4,-0.1 -0.334 63.0 -47.5 75.0 -64.7 15.1 -13.7 -6.6 97 97 A K 0 0 157 -2,-2.7 -1,-0.2 -3,-0.1 -2,-0.1 0.018 360.0 360.0-164.9 -61.0 17.4 -15.0 -9.5 98 98 A K 0 0 238 -3,-0.2 -2,-0.1 -6,-0.0 -3,-0.0 0.036 360.0 360.0-159.7 360.0 17.1 -18.8 -8.9 99 !* 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 0.0 100 1 B M 0 0 123 0, 0.0 6,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-173.4 8.3 -14.0 6.5 101 2 B A B > -B 105 0B 49 4,-2.0 4,-0.6 1,-0.0 6,-0.1 -0.070 360.0-115.3 -83.5 176.2 8.7 -14.6 2.7 102 3 B A T 4 S+ 0 0 94 2,-0.1 -1,-0.0 4,-0.1 4,-0.0 -0.191 92.8 70.7-133.2 52.5 11.4 -16.6 0.7 103 4 B E T 4 S- 0 0 13 -7,-0.1 2,-3.0 3,-0.0 -9,-0.1 -0.332 135.6 -63.3 -91.1-173.1 13.3 -14.3 -1.4 104 5 B P T 4 S- 0 0 71 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.443 95.0-179.8 -54.9 65.4 15.4 -12.4 1.3 105 6 B L B < -B 101 0B 8 -2,-3.0 -4,-2.0 -4,-0.6 2,-0.2 -0.672 26.1-176.7-100.2 88.9 11.7 -11.6 2.0 106 7 B T > - 0 0 29 -2,-0.9 4,-3.1 -61,-0.8 3,-0.3 -0.546 37.3-118.6 -81.7 149.7 10.7 -9.3 4.9 107 8 B E H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.736 114.6 59.3 -59.7 -23.6 7.0 -8.7 5.5 108 9 B L H > S+ 0 0 15 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.965 113.6 38.1 -67.9 -48.7 7.4 -5.0 4.9 109 10 B E H >> S+ 0 0 0 -3,-0.3 3,-1.7 -64,-0.2 4,-1.7 0.977 111.6 59.7 -58.3 -56.1 8.7 -5.9 1.4 110 11 B E H 3X S+ 0 0 30 -4,-3.1 4,-3.2 1,-0.3 5,-0.2 0.802 96.0 62.4 -44.5 -40.9 6.1 -8.8 1.1 111 12 B S H 3X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.914 108.6 41.6 -54.7 -44.6 3.3 -6.3 1.5 112 13 B I H < S+ 0 0 96 -4,-2.5 3,-2.6 -5,-0.3 4,-0.3 0.870 104.2 68.5 -75.8 -36.8 1.1 -9.3 -8.0 118 19 B T H >< S+ 0 0 16 -4,-3.0 3,-2.5 1,-0.3 -2,-0.2 0.835 82.2 74.4 -57.4 -33.2 -2.5 -9.0 -6.7 119 20 B F T 3< S+ 0 0 8 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.732 80.0 75.5 -46.4 -27.7 -3.4 -6.7 -9.6 120 21 B F T < S+ 0 0 171 -3,-2.6 2,-0.6 -4,-0.1 -1,-0.3 0.847 93.5 56.4 -54.2 -37.5 -3.3 -9.9 -11.7 121 22 B T S < S+ 0 0 67 -3,-2.5 -1,-0.1 -4,-0.3 3,-0.1 -0.897 72.4 93.9 -99.1 117.4 -6.7 -10.8 -10.1 122 23 B F S S- 0 0 40 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.107 87.7 -34.5-156.2 -58.0 -9.4 -8.1 -10.7 123 24 B A S S- 0 0 62 -3,-0.2 2,-0.3 0, 0.0 -1,-0.3 -0.928 80.3 -58.8-160.0 174.0 -11.6 -8.8 -13.8 124 25 B R S S+ 0 0 251 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.594 76.8 155.2 -65.4 126.0 -11.5 -10.3 -17.3 125 26 B Q - 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