==== 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 METAL BINDING PROTEIN 02-OCT-98 2PVB . COMPND 2 MOLECULE: PROTEIN (PARVALBUMIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESOX LUCIUS; . AUTHOR J.P.DECLERCQ,C.EVRARD . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 63.6 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 . 2 1.9 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 39.3 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 0 1 1 1 2 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 S 0 0 85 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 148.8 5.4 18.4 18.0 2 2 A F > - 0 0 19 3,-0.4 3,-2.4 68,-0.0 8,-0.1 -0.903 360.0 -99.2-157.4 121.7 7.3 21.2 19.7 3 3 A A T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.3 42,-0.0 -0.127 108.6 19.7 -51.5 136.0 9.2 20.8 23.0 4 4 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 33,-0.0 2,-0.3 0.191 110.0 88.9 92.7 -18.7 7.2 22.1 25.9 5 6 A L S < S- 0 0 20 -3,-2.4 2,-0.4 32,-0.0 -3,-0.4 -0.691 85.9 -99.8-106.7 160.3 3.8 21.9 24.1 6 7 A K >> - 0 0 133 26,-0.4 4,-2.1 -2,-0.3 3,-0.7 -0.671 23.8-136.6 -82.1 131.7 1.4 19.0 23.8 7 8 A D H 3> S+ 0 0 105 -2,-0.4 4,-3.0 1,-0.3 5,-0.2 0.888 104.0 55.0 -52.8 -42.7 1.6 17.1 20.6 8 9 A A H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.855 108.0 49.3 -64.8 -34.6 -2.2 16.9 20.2 9 10 A D H <> S+ 0 0 50 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.894 112.0 48.4 -68.0 -42.4 -2.4 20.8 20.4 10 11 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 112.4 48.1 -61.0 -47.6 0.3 21.2 17.8 11 12 A A H X S+ 0 0 60 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.893 112.4 49.3 -62.5 -37.7 -1.3 18.7 15.5 12 13 A A H X S+ 0 0 35 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.892 109.7 51.3 -67.5 -40.5 -4.7 20.5 16.0 13 14 A A H X S+ 0 0 2 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.891 110.3 49.1 -63.0 -40.3 -3.2 23.9 15.3 14 15 A L H >< S+ 0 0 34 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.894 110.8 49.9 -65.8 -41.4 -1.6 22.6 12.1 15 16 A A H >< S+ 0 0 65 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.897 104.3 59.9 -61.9 -37.0 -5.0 21.0 11.0 16 17 A A H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.732 112.0 38.6 -68.0 -20.6 -6.7 24.3 11.7 17 18 A C T << S+ 0 0 7 -4,-0.8 -1,-0.3 -3,-0.6 5,-0.2 0.080 78.2 119.7-113.9 26.8 -4.5 26.2 9.1 18 19 A S < + 0 0 89 -3,-1.6 2,-0.3 4,-0.1 -1,-0.1 0.829 58.3 77.2 -61.9 -34.7 -4.4 23.4 6.6 19 20 A A S > S- 0 0 58 -4,-0.2 3,-2.2 -3,-0.2 4,-0.3 -0.573 95.7-104.3 -78.4 136.5 -6.0 25.6 3.8 20 21 A A T 3 S+ 0 0 67 -2,-0.3 -1,-0.1 1,-0.3 56,-0.1 -0.307 107.2 19.0 -57.6 137.7 -3.8 28.2 2.2 21 22 A D T 3 S+ 0 0 98 -4,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.381 99.3 98.6 74.8 8.8 -4.5 31.7 3.4 22 23 A S < + 0 0 33 -3,-2.2 2,-0.2 -5,-0.2 -2,-0.1 0.485 50.1 113.9 -94.8 -7.0 -6.2 30.3 6.6 23 24 A F + 0 0 14 -4,-0.3 2,-0.4 -6,-0.2 3,-0.1 -0.472 38.8 179.3 -68.4 135.8 -3.2 30.8 8.9 24 25 A K >> - 0 0 107 -2,-0.2 4,-2.6 1,-0.1 3,-0.6 -0.941 18.2-152.9-133.4 105.8 -3.7 33.4 11.6 25 26 A H H 3> S+ 0 0 23 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.863 93.9 50.5 -54.8 -40.7 -0.6 33.6 13.7 26 27 A K H 3> S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.870 112.1 48.1 -68.6 -33.5 -2.4 34.8 16.9 27 28 A E H <> S+ 0 0 129 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.909 111.9 49.9 -67.3 -42.2 -4.9 32.0 16.6 28 29 A F H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 6,-0.3 0.921 107.2 54.8 -59.9 -46.1 -2.1 29.4 16.0 29 30 A F H X>S+ 0 0 2 -4,-2.7 6,-2.0 -5,-0.2 5,-1.0 0.879 112.6 43.2 -55.3 -41.7 -0.3 30.8 19.1 30 31 A A H ><5S+ 0 0 58 -4,-1.5 3,-0.9 4,-0.2 -1,-0.2 0.939 114.0 49.1 -68.2 -51.1 -3.3 30.2 21.2 31 32 A K H 3<5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.862 111.0 48.4 -62.8 -38.7 -4.2 26.7 19.8 32 33 A V H 3<5S- 0 0 0 -4,-2.7 -26,-0.4 -5,-0.2 -1,-0.3 0.662 117.0-111.7 -79.9 -9.9 -0.8 25.3 20.1 33 34 A G T X<5S+ 0 0 16 -3,-0.9 3,-0.8 -4,-0.6 4,-0.2 0.360 84.4 117.1 102.6 -1.8 -0.5 26.5 23.7 34 35 A L G > - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.251 34.9-107.3 -60.4 159.3 5.3 31.8 30.6 39 40 A L H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 121.1 56.7 -56.7 -42.6 7.5 34.5 29.1 40 41 A D H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 109.6 44.5 -53.5 -47.5 10.6 32.4 29.8 41 42 A D H > S+ 0 0 41 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.871 109.9 54.6 -69.9 -34.6 9.1 29.6 27.8 42 43 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.918 105.9 53.6 -64.4 -40.7 8.0 31.9 25.0 43 44 A K H X S+ 0 0 82 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.908 104.6 55.1 -58.5 -42.5 11.6 33.2 24.7 44 45 A K H X S+ 0 0 112 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.927 105.8 52.4 -58.0 -41.2 12.8 29.6 24.3 45 46 A A H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.896 103.0 58.7 -62.9 -38.2 10.4 29.1 21.4 46 47 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.920 103.4 50.8 -53.5 -49.3 11.8 32.2 19.7 47 48 A Y H < S+ 0 0 115 -4,-1.6 -1,-0.2 1,-0.2 6,-0.2 0.796 109.6 50.8 -67.5 -27.6 15.3 30.9 19.5 48 49 A V H < S+ 0 0 69 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.897 108.6 50.5 -67.0 -46.1 14.1 27.7 18.0 49 50 A I H < S+ 0 0 1 -4,-2.2 2,-2.0 1,-0.2 -2,-0.2 0.838 93.8 78.8 -64.3 -33.3 12.1 29.5 15.3 50 51 A D >< + 0 0 4 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 -0.572 68.5 176.6 -72.8 79.0 15.3 31.6 14.6 51 52 A Q T 3 S+ 0 0 94 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.753 71.2 47.4 -66.6 -32.8 16.7 28.6 12.6 52 53 A D T 3 S- 0 0 94 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.384 105.2-124.0 -90.5 4.9 19.9 30.3 11.4 53 54 A K < + 0 0 136 -3,-1.5 -2,-0.1 -6,-0.2 4,-0.1 0.809 67.0 137.3 61.3 34.6 20.7 31.6 14.9 54 55 A S S S- 0 0 51 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.593 73.9-112.5 -84.7 -11.7 20.9 35.1 13.6 55 56 A G S S+ 0 0 32 1,-0.2 43,-0.4 -5,-0.1 2,-0.3 0.319 91.2 71.7 93.0 -5.2 19.1 36.5 16.6 56 57 A F S S- 0 0 71 41,-0.1 2,-0.8 -9,-0.1 -2,-0.4 -0.980 80.2-122.4-136.9 150.9 16.0 37.5 14.5 57 58 A I B -A 96 0A 0 39,-3.1 39,-2.4 -2,-0.3 2,-0.1 -0.874 39.0-161.3 -89.6 109.5 13.2 35.7 12.8 58 59 A E >> - 0 0 40 -2,-0.8 4,-1.6 37,-0.2 3,-0.7 -0.420 33.9 -94.8 -84.0 171.3 13.6 36.9 9.2 59 60 A E H 3> S+ 0 0 70 35,-0.4 4,-2.8 1,-0.3 5,-0.2 0.859 124.2 55.9 -59.7 -38.0 10.9 36.7 6.6 60 61 A D H 3> S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.871 107.6 50.1 -63.7 -31.9 12.1 33.4 5.2 61 62 A E H <4 S+ 0 0 9 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.768 110.0 51.1 -75.3 -28.0 11.9 31.9 8.7 62 63 A L H >< S+ 0 0 1 -4,-1.6 3,-1.8 2,-0.2 4,-0.3 0.903 106.9 53.6 -68.3 -44.2 8.3 33.2 9.0 63 64 A K H 3< S+ 0 0 61 -4,-2.8 13,-3.0 1,-0.3 3,-0.3 0.890 117.3 37.0 -58.4 -37.8 7.5 31.7 5.7 64 65 A L T >< S+ 0 0 62 -4,-1.5 3,-1.6 11,-0.2 4,-0.5 0.160 81.9 122.1-100.1 21.8 8.7 28.3 7.0 65 66 A F G X + 0 0 1 -3,-1.8 3,-1.5 1,-0.3 4,-0.2 0.839 68.9 56.3 -49.8 -46.3 7.3 28.9 10.5 66 67 A L G >> S+ 0 0 2 -3,-0.3 3,-1.8 8,-0.3 4,-1.8 0.753 90.5 73.2 -66.1 -22.6 5.2 25.8 10.5 67 68 A Q G <4 S+ 0 0 74 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.709 86.0 65.4 -64.9 -20.5 8.1 23.5 9.7 68 69 A N G <4 S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.673 108.7 40.2 -70.0 -19.0 9.3 24.0 13.3 69 70 A F T <4 S- 0 0 4 -3,-1.8 -2,-0.2 1,-0.4 -1,-0.2 0.715 139.5 -0.5-101.2 -31.4 6.1 22.2 14.4 70 71 A S >< - 0 0 31 -4,-1.8 3,-2.1 4,-0.1 -1,-0.4 -0.853 62.4-141.4-154.1 127.3 6.2 19.5 11.7 71 72 A P T 3 S+ 0 0 104 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.791 104.5 52.1 -60.5 -27.9 8.8 19.3 8.9 72 73 A S T 3 S+ 0 0 108 -6,-0.1 -5,-0.1 -3,-0.1 -6,-0.0 0.411 84.0 118.3 -88.3 0.4 6.1 18.3 6.4 73 74 A A S < S- 0 0 21 -3,-2.1 -6,-0.1 -7,-0.2 -55,-0.0 -0.263 71.0 -96.3 -64.7 155.4 3.9 21.3 7.2 74 75 A R - 0 0 60 1,-0.1 -8,-0.3 -8,-0.1 2,-0.2 -0.281 32.8-107.5 -68.8 156.2 3.2 23.7 4.4 75 76 A A - 0 0 42 -9,-0.1 -11,-0.2 -10,-0.1 2,-0.2 -0.492 39.6-107.5 -66.0 149.3 4.9 27.0 3.8 76 77 A L - 0 0 1 -13,-3.0 -1,-0.1 -14,-0.2 -56,-0.1 -0.517 39.8-107.3 -69.0 147.3 3.0 30.1 4.6 77 78 A T > - 0 0 32 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.285 30.5-105.8 -68.4 163.6 1.8 31.9 1.5 78 79 A D H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 124.0 52.8 -57.5 -36.8 3.5 35.2 0.7 79 80 A A H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 110.6 45.2 -63.1 -47.7 0.4 36.9 1.9 80 81 A E H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.903 112.5 52.7 -61.8 -41.4 0.4 35.1 5.3 81 82 A T H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 111.5 44.5 -61.0 -49.7 4.1 35.7 5.7 82 83 A K H X S+ 0 0 109 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.821 111.6 52.7 -67.9 -31.8 3.9 39.4 5.1 83 84 A A H X S+ 0 0 56 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.911 109.4 49.6 -66.6 -41.2 0.8 39.7 7.4 84 85 A F H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.946 113.2 47.6 -58.8 -50.0 2.7 37.9 10.2 85 86 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.943 111.2 49.5 -58.9 -49.7 5.7 40.3 9.7 86 87 A A H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.4 49.0 -63.3 -37.0 3.6 43.4 9.7 87 88 A D H < S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.9 34.5 -68.2 -36.5 1.8 42.5 12.8 88 89 A G H < S+ 0 0 1 -4,-1.9 2,-2.3 -5,-0.2 -2,-0.2 0.677 91.3 89.4 -91.1 -22.8 4.9 41.7 14.8 89 90 A D >< + 0 0 26 -4,-2.5 3,-0.8 1,-0.2 -1,-0.1 -0.424 44.2 160.6 -85.7 70.7 7.5 44.1 13.5 90 91 A K T 3 S+ 0 0 154 -2,-2.3 -1,-0.2 1,-0.2 6,-0.1 0.671 73.7 46.9 -65.0 -21.9 6.8 46.9 16.0 91 92 A D T 3 S- 0 0 109 4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.472 104.1-127.6-104.0 -0.9 10.2 48.6 15.4 92 93 A G < + 0 0 60 -3,-0.8 -2,-0.1 3,-0.1 4,-0.1 0.612 67.3 128.7 76.8 12.2 10.1 48.4 11.6 93 94 A D S S- 0 0 65 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.409 79.6-110.2 -84.9 4.1 13.4 46.8 10.9 94 95 A G S S+ 0 0 33 1,-0.3 -35,-0.4 -5,-0.1 2,-0.3 0.542 90.7 74.0 84.6 8.1 11.9 44.1 8.7 95 96 A M S S- 0 0 46 -37,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.867 78.2-114.1-143.0 169.3 12.5 41.3 11.2 96 97 A I B -A 57 0A 0 -39,-2.4 -39,-3.1 -2,-0.3 2,-0.1 -0.955 27.4-164.4-118.2 123.2 11.1 40.0 14.4 97 98 A G > - 0 0 12 -2,-0.5 4,-2.6 -41,-0.2 5,-0.2 -0.430 38.9 -92.9 -94.5 175.7 13.3 40.1 17.5 98 99 A V H > S+ 0 0 27 -43,-0.4 4,-2.6 1,-0.2 5,-0.2 0.905 124.1 48.1 -61.9 -41.9 12.7 38.1 20.8 99 100 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 112.2 50.0 -67.3 -37.2 10.7 40.9 22.5 100 101 A E H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 110.3 51.1 -64.7 -39.7 8.5 41.4 19.5 101 102 A F H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.958 111.6 46.0 -62.9 -48.4 7.9 37.7 19.3 102 103 A A H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.891 108.6 57.4 -62.1 -38.6 6.9 37.5 22.9 103 104 A A H X S+ 0 0 60 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.847 105.4 50.1 -62.3 -36.6 4.7 40.6 22.5 104 105 A M H < S+ 0 0 11 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.825 117.5 40.2 -68.6 -33.2 2.6 39.0 19.8 105 106 A I H < S+ 0 0 7 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.813 119.7 41.2 -85.6 -38.0 2.1 35.9 21.9 106 107 A K H < 0 0 85 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.291 360.0 360.0 -98.4 11.9 1.5 37.4 25.3 107 108 A A < 0 0 133 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 0.768 360.0 360.0 -50.0 360.0 -0.7 40.3 24.0