==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-OCT-07 2JWW . COMPND 2 MOLECULE: PARVALBUMIN ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.T.HENZL,J.J.TANNER . 109 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 69.7 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 . 4 3.7 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.7 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 3 0 0 1 1 0 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 . 0 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 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 S 0 0 111 0, 0.0 3,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 171.1 5.7 -9.3 8.6 2 2 A M + 0 0 16 1,-0.1 4,-0.2 2,-0.1 44,-0.1 -0.375 360.0 100.8-130.8 54.0 6.0 -9.1 4.9 3 3 A T S >S+ 0 0 71 2,-0.1 5,-0.6 4,-0.1 6,-0.1 0.672 73.0 60.7-107.6 -27.4 9.6 -10.1 4.2 4 4 A D T 5S+ 0 0 138 3,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.742 124.2 20.3 -72.7 -23.3 9.1 -13.7 3.1 5 5 A L T 5S+ 0 0 37 1,-0.2 2,-0.2 37,-0.1 -2,-0.1 0.797 121.3 51.7-107.8 -64.8 6.9 -12.5 0.2 6 6 A L T 5S- 0 0 6 36,-0.2 2,-0.3 -4,-0.2 -1,-0.2 -0.545 103.6 -89.9 -78.8 142.1 7.7 -8.8 -0.5 7 7 A S T >5 - 0 0 18 27,-0.6 4,-2.2 -2,-0.2 5,-0.2 -0.324 36.3-156.4 -53.5 110.4 11.4 -7.8 -0.9 8 8 A A H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.951 108.8 52.7 -64.0 -50.0 15.2 -4.8 1.4 10 10 A D H > S+ 0 0 40 1,-0.3 4,-3.5 2,-0.2 5,-0.4 0.927 108.5 49.4 -51.2 -54.2 13.0 -2.9 -1.1 11 11 A I H X S+ 0 0 24 -4,-2.2 4,-1.5 22,-0.6 5,-0.3 0.824 110.6 52.9 -56.9 -33.2 10.4 -2.0 1.5 12 12 A K H X S+ 0 0 164 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.928 117.7 34.5 -70.0 -45.6 13.2 -0.8 3.8 13 13 A K H X S+ 0 0 108 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.960 119.2 49.3 -73.1 -52.2 14.7 1.5 1.2 14 14 A A H X S+ 0 0 1 -4,-3.5 4,-0.7 18,-0.4 -3,-0.2 0.856 117.0 43.4 -56.0 -38.8 11.5 2.6 -0.5 15 15 A I H < S+ 0 0 2 -4,-1.5 60,-0.3 -5,-0.4 3,-0.2 0.953 124.2 31.7 -74.2 -51.4 10.0 3.4 2.9 16 16 A G H < S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.520 114.1 61.7 -87.0 -4.9 12.9 5.2 4.5 17 17 A A H < S+ 0 0 66 -4,-2.4 2,-0.6 1,-0.2 -1,-0.2 0.728 98.9 57.1 -91.6 -24.2 14.3 6.7 1.3 18 18 A F < + 0 0 42 -4,-0.7 57,-0.4 -5,-0.3 -1,-0.2 -0.893 49.7 152.3-114.3 105.3 11.2 8.8 0.4 19 19 A T S S+ 0 0 103 -2,-0.6 -1,-0.2 -3,-0.1 56,-0.1 0.864 89.0 8.9 -91.8 -47.7 10.1 11.3 3.1 20 20 A A S > S+ 0 0 66 2,-0.1 4,-0.9 3,-0.1 -2,-0.1 0.801 125.4 60.3 -99.2 -45.6 8.4 13.8 0.8 21 21 A A H >> S+ 0 0 71 1,-0.3 3,-2.2 2,-0.2 4,-1.7 0.962 114.4 34.9 -48.4 -65.9 8.4 12.1 -2.6 22 22 A D H 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.814 106.2 74.0 -59.3 -29.1 6.3 9.1 -1.4 23 23 A S H 34 S+ 0 0 23 1,-0.2 58,-0.4 2,-0.2 55,-0.3 0.763 105.5 36.9 -54.5 -25.7 4.6 11.7 0.7 24 24 A F H << S+ 0 0 110 -3,-2.2 2,-0.3 -4,-0.9 -2,-0.2 0.889 138.0 1.3 -92.8 -52.9 3.0 12.9 -2.6 25 25 A D >X - 0 0 43 -4,-1.7 3,-0.7 59,-0.1 4,-0.7 -0.865 49.5-171.2-145.1 106.9 2.5 9.6 -4.5 26 26 A H H 3> S+ 0 0 1 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.603 74.4 91.3 -70.6 -10.9 3.4 6.2 -3.0 27 27 A K H 3> S+ 0 0 58 2,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.940 90.6 42.4 -47.8 -53.6 2.7 4.7 -6.5 28 28 A K H X> S+ 0 0 109 -3,-0.7 4,-1.8 1,-0.3 3,-1.6 0.922 113.0 53.4 -59.0 -44.1 6.3 5.2 -7.4 29 29 A F H 3X S+ 0 0 3 -4,-0.7 4,-4.1 1,-0.3 5,-0.3 0.845 96.7 67.4 -57.8 -34.4 7.2 3.9 -3.9 30 30 A F H 3<>S+ 0 0 16 -4,-3.0 5,-1.4 1,-0.2 6,-0.9 0.798 105.7 42.6 -56.0 -28.9 5.0 0.9 -4.8 31 31 A Q H <<5S+ 0 0 60 -3,-1.6 3,-0.3 -4,-0.7 -2,-0.2 0.881 117.8 42.7 -84.2 -43.8 7.7 0.1 -7.4 32 32 A M H <5S+ 0 0 90 -4,-1.8 -18,-0.4 1,-0.2 -2,-0.2 0.823 108.1 60.8 -71.7 -32.7 10.7 0.8 -5.1 33 33 A V T <5S- 0 0 3 -4,-4.1 -22,-0.6 -5,-0.2 -1,-0.2 0.770 111.8-120.9 -66.2 -25.3 9.0 -1.0 -2.2 34 34 A G T 5S+ 0 0 0 -4,-0.4 -27,-0.6 -5,-0.3 4,-0.5 0.690 71.7 133.6 91.3 21.6 9.0 -4.1 -4.2 35 35 A L S - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.394 45.2 -92.6 -95.3 176.1 2.1 -11.0 -7.5 40 40 A A H > S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 125.9 56.6 -55.6 -38.4 -1.2 -9.8 -6.0 41 41 A D H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.939 107.8 45.9 -59.4 -49.9 -1.2 -12.8 -3.8 42 42 A D H >4 S+ 0 0 24 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.951 117.0 43.2 -58.9 -52.3 2.2 -12.1 -2.3 43 43 A V H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 4,-0.8 0.883 108.8 60.2 -60.8 -38.6 1.4 -8.4 -1.7 44 44 A K H 3X S+ 0 0 82 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.3 0.760 85.8 77.5 -59.8 -26.7 -2.0 -9.4 -0.4 45 45 A K H S+ 0 0 15 -3,-1.6 4,-3.2 -4,-0.4 5,-0.3 0.772 102.0 69.0 -81.0 -28.5 0.3 -8.1 4.0 47 47 A F H X S+ 0 0 12 -4,-0.8 4,-3.4 1,-0.3 -2,-0.2 0.843 99.5 49.4 -57.5 -35.2 -3.3 -7.1 3.2 48 48 A H H < S+ 0 0 141 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.804 111.1 50.9 -72.6 -29.3 -4.4 -9.7 5.7 49 49 A I H < S+ 0 0 87 -4,-0.5 3,-0.4 -3,-0.2 -2,-0.2 0.922 124.7 26.2 -70.6 -47.5 -1.9 -8.3 8.1 50 50 A L H < S+ 0 0 6 -4,-3.2 2,-1.1 1,-0.2 3,-0.4 0.870 119.4 56.5 -84.5 -42.4 -3.2 -4.7 7.7 51 51 A D S < S+ 0 0 10 -4,-3.4 5,-0.4 -5,-0.3 -1,-0.2 -0.266 70.1 126.6 -87.2 49.6 -6.7 -5.5 6.6 52 52 A K S S+ 0 0 126 -2,-1.1 3,-0.2 -3,-0.4 -1,-0.2 0.952 86.9 11.5 -71.8 -51.7 -7.5 -7.5 9.8 53 53 A D S S+ 0 0 139 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.066 99.1 101.2-115.6 22.9 -10.6 -5.7 11.0 54 54 A K S > S- 0 0 52 -4,-0.0 3,-1.5 4,-0.0 -1,-0.1 0.340 91.3-120.6 -88.5 7.1 -11.3 -3.6 7.9 55 55 A S T 3 S- 0 0 105 1,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.820 77.6 -42.6 59.2 34.2 -14.0 -6.0 6.8 56 56 A G T 3 S+ 0 0 31 -5,-0.4 43,-1.8 -9,-0.1 2,-0.3 0.333 132.9 46.0 97.5 -9.2 -12.2 -6.8 3.5 57 57 A F E < -A 98 0A 73 -3,-1.5 2,-0.3 41,-0.3 41,-0.3 -0.966 68.3-130.7-165.7 149.8 -11.2 -3.2 2.7 58 58 A I E -A 97 0A 2 39,-2.6 39,-2.2 -2,-0.3 2,-0.5 -0.786 26.8-122.1-104.3 147.3 -9.8 -0.0 4.2 59 59 A E E >> -A 96 0A 73 -2,-0.3 4,-3.5 37,-0.2 3,-1.1 -0.770 18.9-123.1 -98.0 128.4 -11.3 3.4 3.9 60 60 A E T 34 S+ 0 0 46 35,-2.1 4,-0.5 -2,-0.5 -1,-0.1 0.711 114.5 54.1 -33.8 -34.0 -9.2 6.2 2.3 61 61 A D T >4 S+ 0 0 101 34,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.954 118.5 30.8 -70.9 -51.9 -9.8 8.1 5.6 62 62 A E T X> S+ 0 0 75 -3,-1.1 3,-3.1 1,-0.2 4,-1.8 0.666 99.6 87.8 -79.3 -18.1 -8.5 5.4 7.8 63 63 A L H 3X S+ 0 0 12 -4,-3.5 4,-1.4 1,-0.3 14,-0.3 0.823 81.5 61.4 -49.4 -32.4 -6.1 4.3 5.1 64 64 A G H <4 S+ 0 0 14 -3,-0.7 4,-0.4 -4,-0.5 -1,-0.3 0.719 107.9 43.8 -68.5 -20.4 -3.8 6.9 6.5 65 65 A S H X4 S+ 0 0 81 -3,-3.1 3,-1.5 2,-0.2 4,-0.2 0.935 111.6 47.4 -86.1 -61.6 -3.8 4.9 9.8 66 66 A I H >< S+ 0 0 10 -4,-1.8 3,-2.5 1,-0.3 4,-0.3 0.752 95.4 84.7 -51.3 -24.1 -3.4 1.4 8.5 67 67 A L T >X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.4 3,-1.7 0.894 72.9 68.4 -45.4 -51.2 -0.6 2.8 6.4 68 68 A K H <> S+ 0 0 88 -3,-1.5 4,-1.8 -4,-0.4 -1,-0.3 0.650 75.9 88.5 -49.7 -15.3 2.0 2.5 9.1 69 69 A G H <4 S+ 0 0 42 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.942 117.8 2.3 -47.4 -52.4 1.7 -1.3 8.7 70 70 A F H X4 S+ 0 0 51 -3,-1.7 3,-0.7 -4,-0.3 -2,-0.2 0.797 138.4 54.1 -98.1 -43.6 4.4 -1.1 6.1 71 71 A S H >< + 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -3,-0.3 0.348 68.9 116.9 -73.6 2.4 5.1 2.6 6.3 72 72 A S T 3< S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.3 -4,-0.1 0.758 83.1 45.5 -45.5 -24.2 5.7 2.3 10.1 73 73 A D T < S+ 0 0 128 -3,-0.7 -1,-0.3 -5,-0.1 -2,-0.1 0.710 122.3 36.0 -90.7 -24.0 9.2 3.5 9.2 74 74 A A S < S- 0 0 25 -3,-1.8 -58,-0.1 1,-0.3 -55,-0.1 -0.258 100.9 -65.7-110.6-161.1 8.0 6.3 6.9 75 75 A R - 0 0 126 -57,-0.4 -1,-0.3 -60,-0.3 2,-0.2 -0.040 49.6-112.7 -79.3-173.5 5.1 8.8 6.8 76 76 A D - 0 0 62 -4,-0.1 2,-0.7 -9,-0.0 5,-0.2 -0.578 42.6 -67.1-116.3-179.9 1.4 8.0 6.4 77 77 A L - 0 0 13 -13,-0.3 -13,-0.1 -14,-0.3 2,-0.1 -0.580 58.5-175.9 -72.4 108.9 -1.3 8.6 3.8 78 78 A S > - 0 0 43 -2,-0.7 4,-3.9 -55,-0.3 5,-0.3 -0.282 47.2 -78.2 -95.0-175.3 -1.9 12.3 3.7 79 79 A A H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.918 133.5 49.3 -47.9 -49.5 -4.5 14.3 1.7 80 80 A K H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.940 116.8 39.4 -56.1 -53.7 -2.3 13.9 -1.4 81 81 A E H >>S+ 0 0 0 -58,-0.4 5,-2.7 3,-0.3 4,-1.2 0.850 109.8 59.5 -69.1 -37.6 -1.9 10.2 -1.0 82 82 A T H <>S+ 0 0 16 -4,-3.9 5,-1.5 1,-0.2 -1,-0.2 0.968 121.3 28.0 -54.5 -50.0 -5.5 9.6 0.1 83 83 A K H <5S+ 0 0 114 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.785 135.0 36.6 -77.2 -31.9 -6.6 11.0 -3.2 84 84 A T H X5S+ 0 0 35 -4,-2.8 4,-0.9 -5,-0.3 -3,-0.3 0.947 129.3 23.6 -88.2 -58.1 -3.4 10.0 -5.0 85 85 A L H X5S+ 0 0 13 -4,-1.2 4,-3.0 -61,-0.2 5,-0.4 0.938 130.5 39.6 -77.9 -49.0 -2.3 6.6 -3.6 86 86 A M H >< S+ 0 0 24 -4,-0.9 3,-1.3 -7,-0.3 -2,-0.2 0.974 113.8 44.5 -77.7 -64.6 -5.0 5.3 -7.5 89 89 A G H 3< S+ 0 0 3 -4,-3.0 2,-0.9 1,-0.3 3,-0.2 0.889 111.4 57.0 -45.2 -43.6 -4.4 1.9 -6.0 90 90 A D T >X S+ 0 0 0 -4,-2.6 3,-4.3 -5,-0.4 4,-0.7 -0.151 72.6 165.0 -82.4 39.4 -8.2 1.5 -5.8 91 91 A K T <4 + 0 0 137 -3,-1.3 -1,-0.2 -2,-0.9 -2,-0.1 0.690 64.2 75.1 -28.8 -36.5 -8.4 2.1 -9.6 92 92 A D T 34 S- 0 0 89 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.715 109.3-124.0 -55.8 -18.0 -12.0 0.8 -9.4 93 93 A G T <4 + 0 0 60 -3,-4.3 -2,-0.2 -6,-0.3 -1,-0.1 0.951 68.8 133.2 74.1 52.3 -12.7 4.2 -7.9 94 94 A D < - 0 0 88 -4,-0.7 3,-0.1 2,-0.4 -3,-0.1 0.356 69.3-122.4-111.2 1.3 -14.3 3.1 -4.6 95 95 A G S S+ 0 0 18 -5,-0.3 -35,-2.1 1,-0.2 2,-0.3 0.629 88.1 71.0 67.0 10.6 -12.4 5.4 -2.3 96 96 A K E S-A 59 0A 56 -37,-0.2 2,-0.5 -6,-0.2 -2,-0.4 -0.961 74.8-128.4-151.2 164.2 -11.3 2.3 -0.5 97 97 A I E +A 58 0A 14 -39,-2.2 -39,-2.6 -2,-0.3 2,-0.2 -0.962 31.1 165.2-126.0 117.9 -9.0 -0.7 -0.9 98 98 A G E > -A 57 0A 2 -2,-0.5 4,-3.4 -41,-0.3 -41,-0.3 -0.589 57.8 -78.8-118.3-177.3 -10.1 -4.3 -0.4 99 99 A V T 4 S+ 0 0 65 -43,-1.8 4,-0.4 1,-0.2 -42,-0.1 0.823 131.2 50.0 -50.6 -33.7 -8.8 -7.8 -1.2 100 100 A E T >> S+ 0 0 131 -44,-0.3 3,-0.8 2,-0.2 4,-0.7 0.946 116.2 37.1 -71.7 -51.2 -10.2 -7.2 -4.7 101 101 A E H 3> S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.814 100.2 75.5 -73.3 -30.8 -8.6 -3.8 -5.4 102 102 A F H 3< S+ 0 0 13 -4,-3.4 4,-0.4 1,-0.3 -1,-0.2 0.772 98.2 49.9 -52.6 -25.5 -5.3 -4.6 -3.5 103 103 A S H X> S+ 0 0 58 -3,-0.8 3,-0.9 -4,-0.4 4,-0.7 0.871 107.2 53.2 -78.4 -38.9 -4.6 -6.7 -6.6 104 104 A T H >X S+ 0 0 31 -4,-0.7 4,-2.0 -3,-0.4 3,-1.9 0.906 96.6 64.9 -62.4 -43.4 -5.3 -3.8 -8.9 105 105 A L H 3X S+ 0 0 5 -4,-2.6 4,-1.3 1,-0.3 -1,-0.3 0.796 96.7 60.1 -51.6 -27.3 -3.0 -1.4 -7.0 106 106 A V H <4 S+ 0 0 29 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.851 107.6 43.2 -68.7 -34.4 -0.3 -3.8 -8.3 107 107 A A H << S+ 0 0 80 -3,-1.9 -2,-0.2 -4,-0.7 -1,-0.2 0.755 108.4 63.9 -80.6 -26.9 -1.3 -3.0 -11.9 108 108 A E H < 0 0 29 -4,-2.0 -2,-0.2 -19,-0.2 -3,-0.1 0.992 360.0 360.0 -58.6 -79.7 -1.6 0.7 -11.1 109 109 A S < 0 0 37 -4,-1.3 -1,-0.2 -82,-0.0 -73,-0.0 -0.324 360.0 360.0 -52.8 360.0 2.0 1.7 -10.2