==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN(CALCIUM) 22-MAR-94 2PAS . COMPND 2 MOLECULE: PARVALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESOX LUCIUS; . AUTHOR A.PADILLA,A.CAVE,J.PARELLO,G.ETIENNE,C.BALDELLON . 109 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 68.8 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 . 2 1.8 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 . 9 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 1 0 1 0 1 2 1 0 0 0 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 . 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 1 A A 0 0 114 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -35.5 -0.6 9.6 9.8 2 2 A A + 0 0 8 67,-1.0 4,-0.1 1,-0.2 68,-0.1 0.366 360.0 90.6 -99.7 6.6 -1.7 9.5 6.2 3 3 A K S > S+ 0 0 134 66,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.919 96.5 36.2 -67.9 -39.4 -5.4 9.7 7.1 4 4 A D T 3 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.639 110.5 64.4 -86.4 -12.9 -5.3 13.5 7.0 5 5 A L T 3 S+ 0 0 82 -4,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.359 100.5 63.4 -89.8 7.7 -2.9 13.4 4.0 6 6 A L S < S- 0 0 20 -3,-0.7 3,-0.1 -4,-0.1 28,-0.1 -0.447 94.6-105.9-116.0-167.8 -5.6 11.7 1.9 7 7 A K - 0 0 153 26,-0.3 2,-2.2 1,-0.2 -4,-0.1 0.524 40.0-144.2 -99.8 -6.2 -9.0 12.7 0.6 8 8 A A S >> S+ 0 0 55 1,-0.2 3,-1.3 -5,-0.1 4,-1.1 -0.461 93.8 58.0 79.3 -75.7 -10.9 10.5 3.0 9 9 A D H 3> S+ 0 0 120 -2,-2.2 4,-1.0 1,-0.3 -1,-0.2 0.811 97.8 64.3 -58.6 -25.7 -13.7 9.5 0.6 10 10 A D H 3> S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.866 101.9 48.3 -67.4 -31.9 -11.0 8.2 -1.7 11 11 A I H <> S+ 0 0 19 -3,-1.3 4,-1.5 1,-0.2 5,-0.3 0.743 105.7 58.9 -79.2 -21.3 -10.2 5.5 0.9 12 12 A K H X S+ 0 0 136 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.743 106.8 47.3 -79.5 -20.7 -13.8 4.7 1.3 13 13 A K H X S+ 0 0 140 -4,-1.0 4,-0.8 -3,-0.2 -2,-0.2 0.877 113.9 44.5 -87.1 -40.7 -14.1 3.7 -2.4 14 14 A A H >X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 3,-0.9 0.978 118.2 42.3 -67.9 -53.2 -11.0 1.6 -2.6 15 15 A L H 3X S+ 0 0 14 -4,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.865 111.8 56.2 -62.2 -34.3 -11.6 -0.3 0.6 16 16 A D H 3< S+ 0 0 106 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.758 108.9 48.3 -70.4 -20.0 -15.3 -0.6 -0.2 17 17 A A H << S+ 0 0 53 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.698 121.9 32.3 -91.2 -21.9 -14.3 -2.3 -3.5 18 18 A V H X>S+ 0 0 0 -4,-1.3 5,-0.7 -3,-0.2 4,-0.5 0.619 80.3 108.2-109.1 -15.9 -11.8 -4.8 -1.9 19 19 A K T <5 + 0 0 133 -4,-2.4 -1,-0.1 -5,-0.2 -3,-0.1 0.767 59.3 102.2 -32.8 -31.8 -13.5 -5.4 1.5 20 20 A A T 45S- 0 0 52 1,-0.2 2,-1.1 -4,-0.1 3,-0.2 0.090 95.1 -98.6 -47.1 173.4 -14.3 -8.9 0.1 21 21 A E T 45S+ 0 0 173 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.511 112.1 1.8 -99.7 69.3 -12.1 -11.7 1.3 22 22 A G T <5S+ 0 0 42 -2,-1.1 -1,-0.2 -4,-0.5 -3,-0.1 0.440 97.1 111.9 131.6 12.4 -9.8 -11.9 -1.7 23 23 A S < + 0 0 35 -5,-0.7 2,-0.4 -3,-0.2 -4,-0.1 0.376 51.7 102.6 -93.6 5.4 -11.1 -9.0 -3.9 24 24 A F + 0 0 8 -6,-0.2 61,-0.1 1,-0.2 60,-0.1 -0.716 32.5 159.3 -91.6 139.6 -8.0 -6.9 -3.4 25 25 A N - 0 0 78 -2,-0.4 -1,-0.2 59,-0.1 63,-0.1 0.686 46.3-122.4-117.7 -64.7 -5.4 -6.6 -6.2 26 26 A H S > S+ 0 0 23 62,-0.0 4,-1.0 63,-0.0 5,-0.2 -0.051 96.1 66.5 140.9 -28.1 -3.4 -3.4 -5.7 27 27 A K H > S+ 0 0 112 82,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 104.3 39.1 -85.3 -53.4 -3.9 -1.6 -9.0 28 28 A K H > S+ 0 0 106 2,-0.2 4,-0.8 3,-0.2 5,-0.1 0.827 119.5 51.2 -67.7 -27.7 -7.7 -0.8 -8.8 29 29 A F H >> S+ 0 0 0 2,-0.2 4,-2.3 3,-0.1 3,-0.8 0.990 115.6 35.7 -73.2 -63.7 -7.3 -0.0 -5.0 30 30 A F H 3X>S+ 0 0 2 -4,-1.0 4,-2.2 1,-0.3 5,-1.3 0.909 115.4 57.5 -58.3 -39.3 -4.3 2.4 -5.1 31 31 A A H 3<5S+ 0 0 44 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.839 112.0 43.8 -61.8 -28.0 -5.6 3.9 -8.4 32 32 A L H <<5S+ 0 0 65 -3,-0.8 -2,-0.2 -4,-0.8 -3,-0.1 0.970 111.1 48.0 -80.9 -63.7 -8.9 4.7 -6.6 33 33 A V H <5S- 0 0 3 -4,-2.3 -26,-0.3 -5,-0.1 -2,-0.2 0.910 110.2-123.0 -43.3 -45.4 -7.6 6.1 -3.3 34 34 A G T X5 + 0 0 17 -4,-2.2 4,-0.7 -5,-0.3 3,-0.2 0.741 62.4 144.3 106.0 31.9 -5.3 8.3 -5.3 35 35 A L T >4 - 0 0 64 1,-0.1 4,-1.9 68,-0.0 5,-0.3 -0.738 29.9-106.3 -97.1 145.1 4.4 13.3 -5.9 40 40 A A H > S+ 0 0 52 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.832 124.6 49.5 -35.0 -40.9 7.4 11.0 -5.9 41 41 A N H > S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.978 112.0 44.1 -68.0 -52.9 8.6 13.0 -2.9 42 42 A D H > S+ 0 0 59 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.633 112.5 58.2 -67.7 -6.0 5.3 12.8 -1.0 43 43 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.875 98.6 53.8 -88.5 -41.7 5.4 9.1 -2.1 44 44 A K H X S+ 0 0 121 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.816 109.9 51.9 -61.2 -24.0 8.7 8.4 -0.4 45 45 A K H X S+ 0 0 140 -4,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.830 106.3 51.7 -80.9 -30.8 6.9 9.8 2.7 46 46 A V H X S+ 0 0 6 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.919 113.4 45.5 -70.8 -38.0 3.9 7.5 2.2 47 47 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.952 101.3 63.6 -68.4 -50.0 6.3 4.5 2.0 48 48 A K H < S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.2 46.6 -44.9 -31.0 8.3 5.7 5.0 49 49 A A H < S+ 0 0 37 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.912 104.9 57.0 -79.0 -41.0 5.0 5.1 6.7 50 50 A I H < S+ 0 0 8 -4,-1.7 2,-2.0 1,-0.1 -2,-0.2 0.875 83.7 95.5 -55.4 -33.8 4.5 1.7 5.1 51 51 A D >< + 0 0 11 -4,-2.6 3,-1.2 1,-0.2 5,-0.2 -0.346 54.6 175.2 -60.7 84.0 7.8 0.8 6.7 52 52 A A T 3 S+ 0 0 76 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.937 76.2 43.1 -61.3 -49.0 6.3 -0.8 9.8 53 53 A D T 3 S- 0 0 72 4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.083 110.0-117.7 -88.7 29.9 9.6 -2.0 11.3 54 54 A A S < S+ 0 0 87 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.865 77.2 130.4 40.1 41.5 11.4 1.3 10.5 55 55 A S S S- 0 0 46 2,-0.4 -1,-0.2 -7,-0.1 3,-0.1 -0.072 79.9-113.7-112.8 34.6 13.7 -0.7 8.3 56 56 A G S S+ 0 0 35 -5,-0.2 2,-0.3 1,-0.1 43,-0.2 0.851 90.0 97.7 39.0 36.1 13.4 1.6 5.2 57 57 A F S S- 0 0 80 41,-0.1 2,-0.8 -9,-0.1 -2,-0.4 -0.999 73.7-133.3-150.2 153.9 11.7 -1.4 3.7 58 58 A I B -A 97 0A 2 39,-0.8 39,-2.1 -2,-0.3 -7,-0.1 -0.860 34.5-174.0-109.1 98.4 8.3 -2.8 3.0 59 59 A E >> - 0 0 63 -2,-0.8 4,-1.9 37,-0.2 3,-0.9 -0.364 44.2 -92.3 -88.1 172.5 8.3 -6.5 4.1 60 60 A E H 3> S+ 0 0 76 35,-0.5 4,-1.6 1,-0.3 -1,-0.1 0.896 128.4 57.0 -51.1 -40.0 5.6 -9.1 3.6 61 61 A E H 3> S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.892 103.0 54.3 -61.8 -34.5 4.3 -8.1 7.1 62 62 A E H X4 S+ 0 0 8 -3,-0.9 3,-0.7 1,-0.2 4,-0.3 0.960 102.2 57.4 -63.3 -46.0 4.0 -4.5 5.9 63 63 A L H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.3 4,-0.3 0.896 98.8 61.0 -50.7 -40.8 1.8 -5.7 3.0 64 64 A K H 3< S+ 0 0 59 -4,-1.6 13,-1.1 1,-0.3 -1,-0.3 0.929 122.9 21.2 -55.8 -43.7 -0.5 -7.2 5.6 65 65 A F T X< S+ 0 0 94 -4,-1.3 3,-1.9 -3,-0.7 4,-0.3 0.050 84.6 132.4-112.1 25.8 -1.2 -3.7 7.0 66 66 A V G X S+ 0 0 3 -3,-1.3 3,-0.6 1,-0.3 4,-0.2 0.872 75.3 50.6 -45.3 -41.4 -0.1 -1.8 3.9 67 67 A L G 3> S+ 0 0 3 8,-0.3 4,-0.9 -4,-0.3 7,-0.4 -0.057 80.9 104.7 -90.4 38.1 -3.3 0.3 4.1 68 68 A K G <4 + 0 0 110 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.1 0.873 69.3 60.7 -84.1 -38.4 -2.6 1.1 7.8 69 69 A S T <4 S+ 0 0 6 -3,-0.6 -67,-1.0 -4,-0.3 -66,-0.3 0.837 112.2 41.6 -58.3 -27.7 -1.4 4.7 7.1 70 70 A F T 4 S+ 0 0 13 1,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.773 138.5 5.5 -89.1 -27.6 -4.9 5.3 5.7 71 71 A A >< - 0 0 31 -4,-0.9 3,-1.7 -6,-0.2 -1,-0.3 -0.845 63.4-137.7-157.9 116.4 -6.6 3.2 8.5 72 72 A A T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.1 0.876 112.7 7.5 -41.9 -38.2 -4.9 1.7 11.6 73 73 A D T 3 S+ 0 0 104 -5,-0.1 -1,-0.3 -3,-0.1 3,-0.2 -0.419 95.5 126.0-142.8 61.9 -7.2 -1.3 10.8 74 74 A G S < S+ 0 0 16 -3,-1.7 2,-0.8 -7,-0.4 -6,-0.1 0.893 74.8 18.1 -85.1 -86.4 -8.8 -0.6 7.4 75 75 A R S S- 0 0 11 -8,-0.3 2,-1.0 -4,-0.2 -8,-0.3 -0.766 70.6-157.9 -91.4 111.7 -8.2 -3.4 5.0 76 76 A D - 0 0 65 -2,-0.8 -11,-0.1 -3,-0.2 -12,-0.1 -0.748 25.7-122.2 -90.2 105.2 -7.2 -6.6 6.8 77 77 A L - 0 0 9 -13,-1.1 -13,-0.1 -2,-1.0 3,-0.0 0.008 8.5-142.7 -41.1 150.4 -5.4 -8.7 4.2 78 78 A T - 0 0 54 1,-0.1 2,-0.7 -54,-0.1 -1,-0.2 0.488 41.0-111.6 -95.8 -6.5 -7.0 -12.2 3.7 79 79 A D S >> S+ 0 0 124 1,-0.1 4,-1.2 -15,-0.0 3,-0.6 -0.569 117.1 58.8 105.9 -62.1 -3.6 -13.8 3.3 80 80 A A H >> S+ 0 0 63 -2,-0.7 4,-0.9 1,-0.3 3,-0.6 0.916 101.5 56.5 -62.9 -38.0 -4.1 -14.7 -0.4 81 81 A E H 3> S+ 0 0 3 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.802 107.0 50.5 -62.7 -25.6 -4.6 -10.9 -0.9 82 82 A T H <> S+ 0 0 21 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.703 103.3 58.3 -84.4 -22.1 -1.2 -10.5 0.6 83 83 A K H X>S+ 0 0 9 -4,-1.6 4,-1.9 1,-0.2 3,-0.8 0.935 113.7 49.1 -51.8 -47.8 0.6 -7.6 -3.5 86 86 A L H 3X5S+ 0 0 24 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.942 118.4 37.3 -60.9 -47.9 3.9 -9.4 -2.8 87 87 A K H 3<5S+ 0 0 151 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.415 119.3 51.2 -86.7 6.4 4.1 -11.1 -6.2 88 88 A A H <<5S+ 0 0 39 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.601 122.1 27.2-112.5 -19.8 2.5 -8.1 -7.9 89 89 A A H <5S+ 0 0 1 -4,-1.9 2,-1.6 -5,-0.3 3,-0.2 0.738 96.8 87.9-110.7 -37.4 4.9 -5.4 -6.6 90 90 A D << + 0 0 24 -4,-1.7 -1,-0.1 -5,-0.5 7,-0.1 -0.433 47.6 163.5 -66.1 91.5 8.1 -7.4 -5.9 91 91 A K S S+ 0 0 174 -2,-1.6 -1,-0.2 1,-0.2 6,-0.0 0.958 76.3 44.3 -76.8 -51.5 9.7 -7.0 -9.4 92 92 A D S S- 0 0 102 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.703 104.2-135.5 -66.4 -14.1 13.2 -8.0 -8.4 93 93 A G + 0 0 55 -7,-0.1 -1,-0.1 -4,-0.1 -2,-0.1 0.931 63.0 132.6 61.5 42.8 11.6 -10.8 -6.4 94 94 A D S S- 0 0 74 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.777 73.8-113.1 -95.4 -30.1 13.9 -10.1 -3.4 95 95 A G S S+ 0 0 14 1,-0.2 -35,-0.5 -9,-0.1 2,-0.4 0.340 90.4 79.0 114.0 -5.4 11.2 -10.1 -0.7 96 96 A K - 0 0 89 -37,-0.1 2,-1.0 -36,-0.1 -37,-0.2 -0.980 66.0-146.4-138.4 127.2 11.4 -6.4 0.2 97 97 A I B -A 58 0A 2 -39,-2.1 -39,-0.8 -2,-0.4 -7,-0.1 -0.754 21.8-168.7 -93.7 100.8 9.9 -3.5 -1.6 98 98 A G > - 0 0 17 -2,-1.0 4,-1.9 -41,-0.2 5,-0.1 0.171 41.3 -82.0 -68.6-160.9 12.2 -0.5 -1.2 99 99 A I H >>S+ 0 0 39 -43,-0.2 4,-2.5 2,-0.2 5,-0.7 0.987 126.3 46.4 -72.2 -75.5 11.1 3.0 -2.2 100 100 A D H >5S+ 0 0 121 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.848 117.9 48.2 -37.2 -37.7 11.6 3.1 -6.0 101 101 A E H >5S+ 0 0 29 2,-0.2 4,-1.2 3,-0.2 -1,-0.3 0.962 118.7 39.1 -69.7 -47.1 10.0 -0.3 -6.1 102 102 A F H >X5S+ 0 0 3 -4,-1.9 4,-1.9 -3,-0.5 3,-1.0 0.978 117.3 46.5 -66.5 -56.7 7.1 0.9 -3.9 103 103 A E H 3X5S+ 0 0 41 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.764 112.0 56.0 -60.1 -18.8 6.7 4.4 -5.4 104 104 A T H 3X