==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN(CALCIUM) 22-MAR-94 3PAT . 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) . 6100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 59.6 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 . 3 2.8 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 . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 0 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 ANTIPARALLEL 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 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 0 108 0, 0.0 3,-0.2 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 17.2 -0.4 8.4 9.9 2 2 A A + 0 0 7 67,-0.7 4,-0.4 1,-0.2 68,-0.1 0.223 360.0 89.4-106.3 14.8 -1.4 8.7 6.3 3 3 A K S S+ 0 0 116 66,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.815 85.4 51.1 -80.9 -28.8 -4.9 9.6 7.1 4 4 A D S S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.677 105.9 56.1 -82.0 -14.0 -4.2 13.2 7.2 5 5 A L S S+ 0 0 67 -4,-0.1 2,-0.2 3,-0.0 -1,-0.2 0.612 113.9 32.5 -93.1 -11.5 -2.5 13.2 4.0 6 6 A L S S- 0 0 11 -4,-0.4 28,-0.0 -3,-0.3 27,-0.0 -0.738 83.3 -81.7-133.4 179.9 -5.3 11.8 2.2 7 7 A K - 0 0 58 26,-0.2 2,-0.6 -2,-0.2 -4,-0.1 0.360 8.2-137.2 -72.6 -40.2 -8.5 11.7 2.1 8 8 A A S >> S+ 0 0 64 1,-0.1 4,-1.5 25,-0.1 3,-0.8 -0.157 98.2 45.6 119.5 -79.8 -10.8 10.5 3.1 9 9 A D H 3> S+ 0 0 121 -2,-0.6 4,-1.2 1,-0.3 5,-0.2 0.806 108.8 62.2 -64.4 -25.2 -13.2 9.7 0.4 10 10 A D H 3> S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.870 105.0 46.0 -69.6 -31.2 -10.3 8.2 -1.5 11 11 A I H <> S+ 0 0 23 -3,-0.8 4,-1.7 1,-0.2 5,-0.3 0.800 109.0 55.7 -80.8 -26.3 -9.8 5.7 1.2 12 12 A K H X S+ 0 0 115 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.738 109.9 46.6 -78.4 -19.3 -13.5 4.9 1.3 13 13 A K H X S+ 0 0 116 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.882 114.0 44.9 -88.5 -43.2 -13.6 4.1 -2.4 14 14 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 3,-0.3 0.948 117.9 43.6 -66.8 -45.7 -10.5 1.9 -2.5 15 15 A L H X S+ 0 0 22 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.904 112.1 53.5 -67.2 -38.3 -11.5 -0.1 0.6 16 16 A D H < S+ 0 0 119 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.756 109.3 51.0 -68.3 -20.1 -15.1 -0.3 -0.6 17 17 A A H < S+ 0 0 49 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.709 124.6 25.7 -88.5 -22.0 -13.7 -1.8 -3.8 18 18 A V H < S+ 0 0 2 -4,-1.1 5,-0.4 -3,-0.4 4,-0.4 0.362 82.5 111.8-121.8 4.4 -11.5 -4.4 -2.0 19 19 A K < + 0 0 133 -4,-1.7 -3,-0.1 -5,-0.2 -1,-0.1 0.779 58.2 98.9 -51.8 -25.0 -13.3 -4.9 1.3 20 20 A A S S- 0 0 52 1,-0.1 2,-1.2 -4,-0.1 3,-0.3 0.036 95.5 -97.2 -55.2 175.3 -14.2 -8.4 0.1 21 21 A E S S+ 0 0 146 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.510 113.5 3.2 -98.6 69.8 -12.1 -11.3 1.3 22 22 A G S S+ 0 0 49 -2,-1.2 -1,-0.2 -4,-0.4 -3,-0.1 0.445 97.8 109.5 132.3 12.8 -9.8 -11.6 -1.7 23 23 A S + 0 0 47 -5,-0.4 2,-0.3 -3,-0.3 -4,-0.1 0.253 48.4 113.6 -98.8 13.8 -10.9 -8.7 -3.8 24 24 A F + 0 0 7 -6,-0.2 -6,-0.1 -4,-0.1 -9,-0.0 -0.658 33.6 169.0 -87.3 142.4 -7.8 -6.6 -3.3 25 25 A N - 0 0 79 -2,-0.3 5,-0.1 59,-0.1 -1,-0.1 -0.385 35.2-134.0-130.8 -97.4 -5.6 -5.9 -6.2 26 26 A H S > S+ 0 0 31 3,-0.1 4,-1.0 4,-0.1 5,-0.2 0.802 100.2 54.2-165.9 -32.8 -2.9 -3.3 -5.6 27 27 A K H > S+ 0 0 92 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.933 112.9 38.3 -82.5 -49.8 -3.5 -1.5 -8.9 28 28 A K H > S+ 0 0 102 2,-0.2 4,-1.7 3,-0.2 5,-0.2 0.903 118.6 50.8 -69.5 -38.3 -7.3 -0.8 -8.6 29 29 A F H >> S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.998 118.1 34.5 -62.7 -64.8 -7.0 -0.1 -4.9 30 30 A F H 3X>S+ 0 0 7 -4,-1.0 4,-2.1 1,-0.2 6,-0.8 0.870 112.9 63.3 -60.7 -33.8 -4.2 2.5 -5.1 31 31 A A H 3<5S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.916 109.2 40.0 -58.9 -40.1 -5.5 3.7 -8.4 32 32 A L H <<5S+ 0 0 75 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.943 109.6 58.1 -76.1 -47.7 -8.8 4.9 -6.7 33 33 A V H <5S- 0 0 4 -4,-2.2 -26,-0.2 -5,-0.2 -2,-0.2 0.946 108.8-120.1 -48.5 -52.4 -7.2 6.2 -3.5 34 34 A G T ><5S+ 0 0 29 -4,-2.1 3,-1.5 -5,-0.2 -3,-0.1 0.311 78.7 120.1 127.3 -8.3 -5.1 8.7 -5.5 35 35 A L G > < + 0 0 2 -5,-0.5 3,-0.9 1,-0.3 -4,-0.1 0.708 60.7 81.4 -61.2 -16.2 -1.5 7.7 -4.6 36 36 A K G 3 S+ 0 0 88 -6,-0.8 -1,-0.3 1,-0.3 -5,-0.1 0.841 109.2 18.6 -62.3 -29.4 -1.0 7.0 -8.2 37 37 A A G < S+ 0 0 77 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.022 87.6 120.3-133.8 36.7 -0.4 10.6 -8.9 38 38 A M S < S- 0 0 51 -3,-0.9 2,-0.1 1,-0.1 3,-0.1 0.722 82.6 -74.2 -79.4-100.1 0.4 12.2 -5.6 39 39 A S > - 0 0 60 1,-0.2 4,-1.8 -4,-0.1 3,-0.4 -0.677 33.8-118.7-159.5 117.7 3.8 13.7 -5.9 40 40 A A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.792 117.1 53.3 -35.5 -32.4 7.0 11.6 -5.9 41 41 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.982 111.8 39.6 -72.5 -55.4 7.9 13.5 -2.7 42 42 A D H > S+ 0 0 53 -3,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.588 115.2 58.8 -70.9 -3.1 4.7 12.9 -0.8 43 43 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.881 101.2 49.3 -90.6 -44.3 4.9 9.4 -2.2 44 44 A K H X S+ 0 0 111 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.824 112.1 53.1 -63.2 -23.4 8.2 8.6 -0.7 45 45 A K H X S+ 0 0 126 -4,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.841 104.6 53.4 -79.0 -31.4 6.6 9.9 2.4 46 46 A V H X S+ 0 0 5 -4,-0.7 4,-2.0 2,-0.2 3,-0.5 0.951 111.7 45.7 -67.4 -43.6 3.6 7.5 1.9 47 47 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.3 -2,-0.2 0.962 101.7 63.2 -62.6 -51.3 6.1 4.6 1.7 48 48 A K H < S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.854 109.0 45.7 -44.2 -29.5 8.0 5.8 4.7 49 49 A A H < S+ 0 0 32 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.3 0.902 103.8 58.9 -81.8 -41.0 4.7 5.1 6.4 50 50 A I H < S+ 0 0 7 -4,-2.0 2,-2.8 1,-0.2 -2,-0.2 0.864 89.0 82.9 -54.3 -32.1 4.2 1.7 4.7 51 51 A D >< + 0 0 7 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 -0.404 62.9 176.1 -72.8 72.4 7.5 0.9 6.4 52 52 A A T 3 S+ 0 0 73 -2,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.703 71.4 43.2 -56.9 -19.8 5.9 0.0 9.6 53 53 A D T 3 S- 0 0 66 4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.356 109.4-110.5-107.6 -4.0 9.1 -1.1 11.3 54 54 A A S < S+ 0 0 85 -3,-0.7 -2,-0.1 3,-0.1 -6,-0.0 0.991 76.9 125.5 76.8 48.9 11.4 1.4 10.3 55 55 A S S S- 0 0 39 2,-0.4 -1,-0.1 -4,-0.0 -3,-0.1 0.007 78.9-114.5-120.4 31.7 13.7 -0.5 7.9 56 56 A G S S+ 0 0 34 -5,-0.2 2,-0.3 1,-0.1 43,-0.2 0.815 91.2 94.2 41.4 29.9 13.3 1.8 4.9 57 57 A F S S- 0 0 95 41,-0.1 2,-0.9 -9,-0.1 -2,-0.4 -0.999 77.3-127.8-149.3 147.9 11.6 -1.2 3.4 58 58 A I E -A 97 0A 0 39,-1.3 39,-1.8 -2,-0.3 2,-0.1 -0.816 34.9-164.3 -96.0 106.1 8.1 -2.6 2.9 59 59 A E E >> -A 96 0A 64 -2,-0.9 4,-2.1 -9,-0.2 3,-0.9 -0.485 35.2-103.3 -88.9 163.2 8.2 -6.2 4.3 60 60 A E H 3> S+ 0 0 80 35,-0.5 4,-1.5 1,-0.3 -1,-0.1 0.899 123.8 56.7 -50.9 -40.6 5.6 -8.9 3.6 61 61 A E H 3> S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.881 105.4 50.6 -62.1 -34.1 4.3 -8.3 7.1 62 62 A E H <4 S+ 0 0 13 -3,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.899 102.8 60.5 -70.7 -36.4 3.8 -4.6 6.3 63 63 A L H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.890 102.3 53.4 -57.6 -37.1 1.9 -5.6 3.2 64 64 A K H 3< S+ 0 0 71 -4,-1.5 13,-1.3 1,-0.2 3,-0.3 0.940 120.7 30.5 -66.0 -44.4 -0.6 -7.4 5.4 65 65 A F T >< S+ 0 0 105 -4,-1.4 3,-2.6 1,-0.2 4,-0.4 0.191 82.5 125.6 -98.8 18.3 -1.2 -4.3 7.5 66 66 A V T < S+ 0 0 6 -3,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.725 74.6 52.0 -51.0 -18.8 -0.5 -2.0 4.6 67 67 A L T 3> S+ 0 0 7 -3,-0.3 4,-0.9 -4,-0.2 7,-0.5 0.215 81.0 91.8-104.0 16.3 -3.9 -0.4 5.3 68 68 A K T <4 S+ 0 0 82 -3,-2.6 -1,-0.2 2,-0.2 -2,-0.1 0.855 82.3 56.3 -78.9 -32.3 -3.4 0.3 9.0 69 69 A S T 4 S+ 0 0 31 -4,-0.4 -67,-0.7 -3,-0.2 -66,-0.3 0.830 114.0 40.7 -69.5 -27.9 -2.1 3.8 8.3 70 70 A F T 4 S+ 0 0 21 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.677 140.2 3.0 -91.7 -19.2 -5.2 4.5 6.5 71 71 A A >< - 0 0 33 -4,-0.9 3,-1.1 1,-0.1 -1,-0.2 -0.744 66.2-135.6-159.4 103.6 -7.4 2.7 9.0 72 72 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -3,-0.2 -4,-0.1 0.893 109.6 13.3 -33.9 -38.4 -6.1 1.1 12.1 73 73 A D T 3 S+ 0 0 113 -5,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 -0.193 97.0 125.9-139.4 46.8 -8.3 -1.8 11.3 74 74 A G S < S- 0 0 36 -3,-1.1 2,-0.2 -7,-0.5 -6,-0.1 0.946 72.9 -1.4 -75.6 -94.0 -9.2 -1.2 8.0 75 75 A R - 0 0 17 -8,-0.3 -1,-0.1 -4,-0.1 -8,-0.1 0.090 64.1-163.2 -86.6 62.3 -8.5 -3.8 5.5 76 76 A D - 0 0 86 -2,-0.2 -11,-0.1 -9,-0.1 -12,-0.1 -0.078 26.2-120.4 -44.6 101.7 -6.9 -6.7 7.0 77 77 A L - 0 0 10 -13,-1.3 -13,-0.1 1,-0.1 -56,-0.0 -0.092 10.2-140.1 -51.8 155.0 -5.4 -8.8 4.3 78 78 A T - 0 0 56 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 0.527 41.3-106.7 -96.2 -10.9 -6.6 -12.4 4.0 79 79 A D S > S+ 0 0 108 -15,-0.0 4,-1.4 1,-0.0 3,-0.4 -0.523 119.9 57.6 113.8 -60.1 -3.3 -14.0 3.2 80 80 A A H > S+ 0 0 70 -2,-0.5 4,-0.8 1,-0.2 3,-0.3 0.914 103.2 55.9 -62.6 -37.0 -4.0 -14.7 -0.4 81 81 A E H > S+ 0 0 4 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.838 107.1 50.0 -62.8 -29.6 -4.6 -10.9 -0.7 82 82 A T H > S+ 0 0 22 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.734 103.8 58.2 -80.4 -23.4 -1.1 -10.5 0.7 83 83 A K H X S+ 0 0 131 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.656 107.0 50.1 -81.4 -11.9 0.2 -13.0 -1.8 84 84 A A H X S+ 0 0 39 -4,-0.8 4,-0.8 -3,-0.2 5,-0.2 0.908 109.6 46.4 -89.0 -49.8 -1.1 -10.7 -4.5 85 85 A F H >X S+ 0 0 7 -4,-1.8 4,-1.7 1,-0.2 3,-0.8 0.941 116.4 46.8 -57.0 -47.1 0.5 -7.4 -3.3 86 86 A L H 3X S+ 0 0 42 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.923 114.3 46.0 -63.9 -42.9 3.8 -9.2 -2.8 87 87 A K H 3< S+ 0 0 137 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.518 119.2 43.5 -79.6 -0.1 3.7 -10.9 -6.2 88 88 A A H << S+ 0 0 32 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.550 120.3 38.3-116.0 -15.3 2.7 -7.6 -7.8 89 89 A A H < S+ 0 0 5 -4,-1.7 2,-0.6 -5,-0.2 -2,-0.2 0.583 107.4 65.3-110.3 -15.7 5.1 -5.3 -5.9 90 90 A D < + 0 0 18 -4,-1.7 -1,-0.1 -5,-0.3 7,-0.1 -0.845 47.2 155.1-105.2 117.2 8.1 -7.5 -5.8 91 91 A K S S+ 0 0 169 -2,-0.6 -1,-0.2 -3,-0.1 6,-0.0 0.804 75.1 52.7-108.4 -44.9 9.6 -8.2 -9.2 92 92 A D S S- 0 0 92 1,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.655 104.7-129.1 -71.9 -10.6 13.2 -8.9 -8.3 93 93 A G + 0 0 63 -7,-0.1 -1,-0.1 1,-0.1 -3,-0.1 0.931 65.5 134.4 65.7 43.4 11.9 -11.4 -5.8 94 94 A D - 0 0 67 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.586 68.9-122.3 -99.7 -11.1 13.9 -10.0 -2.9 95 95 A G S S+ 0 0 28 1,-0.2 -35,-0.5 -9,-0.1 2,-0.4 0.612 85.0 87.5 82.4 8.8 11.0 -10.0 -0.4 96 96 A K E -A 59 0A 77 -37,-0.1 2,-0.9 -36,-0.1 -2,-0.2 -0.983 63.1-151.3-142.4 130.6 11.4 -6.3 0.2 97 97 A I E -A 58 0A 1 -39,-1.8 -39,-1.3 -2,-0.4 -7,-0.1 -0.817 20.1-168.9-102.9 101.3 9.8 -3.4 -1.7 98 98 A G > - 0 0 17 -2,-0.9 4,-1.9 -41,-0.2 5,-0.1 0.080 39.8 -87.0 -71.4-165.8 12.1 -0.3 -1.4 99 99 A I H >>>S+ 0 0 50 -43,-0.2 4,-2.7 2,-0.2 5,-0.7 0.993 124.4 47.8 -71.3 -73.0 10.9 3.1 -2.5 100 100 A D H 3>5S+ 0 0 99 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.853 117.4 47.4 -38.5 -37.2 11.7 3.2 -6.2 101 101 A E H 3>5S+ 0 0 56 2,-0.2 4,-1.9 3,-0.2 -1,-0.3 0.947 119.3 39.2 -71.2 -44.8 10.0 -0.2 -6.4 102 102 A F H