==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-OCT-00 1G33 . COMPND 2 MOLECULE: PARVALBUMIN ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.THEPAUT,M.P.STRUB,A.CAVE,J.L.BANERES,M.W.BERCHTOLD, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 60.3 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 2.7 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 38.4 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 1 1 0 1 0 0 0 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 37 A M 0 0 192 0, 0.0 2,-0.2 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 126.8 18.4 -8.9 6.6 2 38 A K - 0 0 106 68,-0.3 70,-0.1 1,-0.1 68,-0.0 -0.594 360.0-107.7 -84.6 149.3 17.0 -6.4 9.1 3 39 A S > - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.299 24.5-112.8 -73.8 162.4 14.0 -7.5 11.1 4 40 A A H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 118.6 54.4 -60.5 -38.8 10.5 -6.1 10.4 5 41 A D H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.878 108.8 48.7 -65.4 -33.5 10.6 -4.2 13.8 6 42 A D H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 110.5 49.2 -74.0 -39.2 13.9 -2.6 12.9 7 43 A V H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 50.7 -63.3 -41.7 12.6 -1.5 9.6 8 44 A K H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.824 105.5 58.0 -66.3 -30.7 9.4 -0.1 11.2 9 45 A K H X S+ 0 0 125 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.939 108.8 44.0 -63.8 -44.9 11.6 1.8 13.7 10 46 A V H X S+ 0 0 16 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.887 111.0 54.9 -67.0 -39.0 13.4 3.6 10.9 11 47 A F H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.929 109.0 48.6 -58.1 -44.8 10.1 4.3 9.1 12 48 A H H < S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 108.6 52.9 -66.2 -34.1 8.8 5.9 12.2 13 49 A I H < S+ 0 0 96 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.6 43.4 -67.1 -39.8 11.9 8.0 12.6 14 50 A L H < S+ 0 0 3 -4,-2.5 2,-2.2 1,-0.2 -2,-0.2 0.829 96.0 79.0 -72.9 -30.3 11.5 9.3 9.0 15 51 A D >< + 0 0 11 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 -0.476 59.0 168.3 -79.4 73.0 7.7 9.8 9.2 16 52 A K T 3 S+ 0 0 134 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.798 72.1 44.4 -61.2 -31.3 8.0 13.1 11.1 17 53 A D T 3 S- 0 0 94 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.356 104.6-125.1 -97.5 9.3 4.4 14.2 10.7 18 54 A K < + 0 0 189 -3,-1.5 -2,-0.1 -6,-0.2 4,-0.1 0.803 63.9 140.8 52.8 36.6 3.0 10.7 11.6 19 55 A S S S- 0 0 50 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.616 71.0-115.0 -80.5 -11.9 1.0 10.6 8.5 20 56 A G S S+ 0 0 35 1,-0.3 43,-0.4 -5,-0.1 2,-0.3 0.428 90.6 71.9 91.0 -1.1 1.8 6.9 8.0 21 57 A F S S- 0 0 73 41,-0.1 2,-0.7 42,-0.1 -2,-0.4 -0.966 82.4-118.8-142.5 156.4 3.8 7.6 4.8 22 58 A I B -A 61 0A 0 39,-2.8 39,-2.4 -2,-0.3 2,-0.2 -0.900 36.4-165.5 -97.3 112.2 7.1 9.1 3.9 23 59 A E >> - 0 0 45 -2,-0.7 3,-2.3 37,-0.2 4,-1.2 -0.467 39.6 -90.4 -88.1 172.2 6.2 12.2 1.7 24 60 A E H 3> S+ 0 0 88 35,-0.4 4,-0.7 1,-0.3 3,-0.5 0.868 124.7 59.8 -53.7 -39.5 8.8 14.0 -0.4 25 61 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.616 111.4 41.1 -68.9 -7.6 9.7 16.4 2.3 26 62 A E H X4 S+ 0 0 7 -3,-2.3 3,-1.0 2,-0.1 -1,-0.2 0.622 96.9 76.6-108.2 -18.2 10.7 13.5 4.6 27 63 A L H >< S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.5 -2,-0.1 0.769 77.3 71.2 -71.5 -27.5 12.6 11.3 2.2 28 64 A G T 3< S+ 0 0 15 -4,-0.7 13,-2.3 1,-0.3 3,-0.4 0.702 93.9 57.9 -61.8 -18.6 15.9 13.2 1.9 29 65 A S T <> S+ 0 0 38 -3,-1.0 4,-1.3 1,-0.2 3,-0.4 0.285 72.3 114.5 -91.8 7.8 16.8 12.2 5.4 30 66 A I H X> S+ 0 0 12 -3,-2.1 4,-0.7 1,-0.2 3,-0.7 0.865 74.4 47.1 -54.5 -42.4 16.6 8.5 4.6 31 67 A L H >> S+ 0 0 68 -3,-0.4 4,-1.8 8,-0.3 3,-0.9 0.890 109.5 56.6 -68.1 -32.8 20.3 7.6 5.1 32 68 A K H 34 S+ 0 0 77 -3,-0.4 -1,-0.2 7,-0.3 -2,-0.2 0.765 93.8 67.5 -66.2 -24.1 20.3 9.5 8.4 33 69 A G H << S+ 0 0 13 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.840 109.9 36.8 -65.5 -30.2 17.4 7.3 9.6 34 70 A F H << S+ 0 0 87 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.851 135.6 10.4 -89.1 -37.4 19.9 4.4 9.6 35 71 A S >< - 0 0 50 -4,-1.8 3,-2.2 1,-0.1 -1,-0.3 -0.959 63.3-144.9-144.1 118.5 23.1 6.2 10.8 36 72 A S T 3 S+ 0 0 111 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.725 99.8 61.8 -59.9 -17.1 23.1 9.8 12.2 37 73 A D T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.377 83.0 110.4 -90.6 7.3 26.5 10.4 10.6 38 74 A A S < S- 0 0 24 -3,-2.2 -6,-0.1 -7,-0.2 2,-0.0 -0.432 71.0-106.0 -80.9 158.5 25.1 9.8 7.0 39 75 A R - 0 0 133 -2,-0.1 -7,-0.3 1,-0.1 2,-0.3 -0.278 29.2-107.0 -79.7 164.8 24.7 12.6 4.5 40 76 A D - 0 0 92 -9,-0.1 2,-0.2 -10,-0.1 -11,-0.2 -0.643 34.0-117.6 -83.4 148.6 21.5 14.2 3.3 41 77 A L - 0 0 26 -13,-2.3 -13,-0.1 -2,-0.3 2,-0.1 -0.588 32.3-113.7 -79.0 152.6 20.3 13.3 -0.2 42 78 A S > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.329 31.3-102.4 -75.8 170.8 20.2 16.3 -2.6 43 79 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 124.1 50.3 -61.0 -41.8 16.7 17.4 -3.9 44 80 A K H > S+ 0 0 171 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 109.9 49.2 -64.2 -42.3 17.4 15.7 -7.2 45 81 A E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.876 110.4 52.4 -63.9 -37.3 18.4 12.4 -5.5 46 82 A T H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 109.1 47.8 -66.1 -42.4 15.2 12.6 -3.4 47 83 A K H X S+ 0 0 115 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.914 113.5 48.7 -65.4 -39.2 12.9 13.0 -6.4 48 84 A T H X S+ 0 0 92 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 112.0 48.3 -64.0 -43.9 14.6 10.2 -8.1 49 85 A L H X S+ 0 0 41 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.885 109.4 52.7 -65.7 -40.8 14.4 7.9 -5.1 50 86 A M H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.954 110.6 47.7 -59.6 -46.5 10.7 8.8 -4.6 51 87 A A H < S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.6 44.5 -62.0 -41.1 9.9 7.8 -8.2 52 88 A A H < S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.879 119.3 41.6 -68.8 -39.0 11.8 4.6 -8.0 53 89 A G H < S+ 0 0 4 -4,-2.8 2,-1.9 -5,-0.2 -2,-0.2 0.714 90.6 86.1 -83.7 -22.2 10.4 3.6 -4.6 54 90 A D >< + 0 0 24 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 -0.548 51.8 168.3 -83.8 77.7 6.8 4.6 -5.0 55 91 A K T 3 S+ 0 0 146 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.854 72.4 46.8 -63.7 -36.5 5.7 1.3 -6.6 56 92 A D T 3 S- 0 0 111 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.468 104.0-127.2 -87.8 0.6 1.9 2.0 -6.4 57 93 A G < + 0 0 58 -3,-1.0 -2,-0.1 3,-0.1 -3,-0.1 0.669 68.7 129.1 70.2 16.6 2.1 5.5 -7.8 58 94 A D S S- 0 0 61 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.431 79.8-109.5 -85.6 3.3 0.3 7.4 -5.0 59 95 A G S S+ 0 0 46 1,-0.2 -35,-0.4 -5,-0.1 2,-0.3 0.506 89.2 69.9 87.9 6.6 3.1 9.9 -4.6 60 96 A K S S- 0 0 59 -37,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.914 79.3-110.9-148.9 167.3 4.4 8.7 -1.2 61 97 A I B -A 22 0A 0 -39,-2.4 -39,-2.8 -2,-0.3 2,-0.1 -0.931 31.8-166.8-110.7 119.6 6.2 5.7 0.3 62 98 A G > - 0 0 8 -2,-0.6 4,-2.8 -41,-0.2 5,-0.2 -0.316 41.2 -85.4 -93.1-174.9 4.3 3.4 2.6 63 99 A V H > S+ 0 0 38 -43,-0.4 4,-2.6 1,-0.2 5,-0.1 0.889 125.4 46.8 -62.1 -41.5 5.6 0.8 4.9 64 100 A E H > S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 114.6 46.8 -68.4 -40.3 5.7 -2.1 2.3 65 101 A E H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.890 112.6 50.0 -67.8 -37.9 7.4 0.1 -0.3 66 102 A F H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.935 110.0 51.1 -64.9 -43.1 9.9 1.3 2.3 67 103 A S H < S+ 0 0 38 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.885 109.3 51.3 -59.6 -39.3 10.6 -2.4 3.3 68 104 A T H >< S+ 0 0 67 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.909 104.9 56.3 -63.7 -41.9 11.2 -3.2 -0.3 69 105 A L H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.889 116.1 36.3 -56.4 -42.8 13.7 -0.4 -0.7 70 106 A V T 3< S+ 0 0 36 -4,-1.7 -68,-0.3 -5,-0.1 -1,-0.3 0.281 84.7 127.7 -97.2 9.6 15.8 -1.7 2.2 71 107 A A S < S- 0 0 62 -3,-1.2 2,-0.2 -4,-0.3 -3,-0.0 -0.453 72.9 -96.8 -65.4 142.4 15.3 -5.5 1.5 72 108 A E 0 0 145 1,-0.1 -1,-0.1 -70,-0.1 -2,-0.1 -0.411 360.0 360.0 -67.8 127.6 18.7 -7.2 1.3 73 109 A S 0 0 181 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.521 360.0 360.0 -98.2 360.0 20.1 -7.7 -2.2