==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-MAR-08 2ROA . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR H.ISHIDA,H.HUANG,A.P.YAMNIUK,Y.TAKAYA,H.J.VOGEL . 79 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 62.0 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 3.8 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 . 5 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 45.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 0 0 0 0 0 1 2 1 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 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.9 -26.1 -10.7 3.1 2 2 A D + 0 0 121 4,-0.1 4,-0.0 2,-0.1 0, 0.0 -0.074 360.0 73.5-110.4 31.4 -23.9 -7.9 1.8 3 3 A I S S- 0 0 128 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.604 113.0 -2.8-105.6-101.4 -25.5 -5.2 3.9 4 4 A L S S+ 0 0 153 1,-0.1 2,-1.2 2,-0.1 -2,-0.1 0.866 116.1 86.7 -63.6 -35.4 -24.7 -4.9 7.6 5 5 A S - 0 0 79 1,-0.1 2,-1.1 2,-0.0 3,-0.3 -0.530 61.4-177.1 -69.8 96.4 -22.7 -8.1 7.3 6 6 A E + 0 0 100 -2,-1.2 4,-0.5 1,-0.2 -1,-0.1 -0.693 28.9 135.5 -99.5 82.3 -19.3 -6.7 6.4 7 7 A E S > S+ 0 0 167 -2,-1.1 4,-2.1 2,-0.1 -1,-0.2 0.899 74.5 40.9 -91.1 -51.3 -17.1 -9.8 5.8 8 8 A Q H > S+ 0 0 108 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.926 117.1 50.0 -63.9 -44.2 -15.3 -8.9 2.6 9 9 A I H > S+ 0 0 49 1,-0.2 4,-4.8 2,-0.2 5,-0.4 0.921 107.7 54.0 -60.6 -44.1 -14.8 -5.3 3.7 10 10 A V H > S+ 0 0 67 -4,-0.5 4,-3.3 2,-0.2 5,-0.2 0.933 109.6 47.9 -57.2 -45.9 -13.4 -6.4 7.0 11 11 A D H X S+ 0 0 80 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.973 119.4 38.2 -58.6 -54.8 -10.8 -8.6 5.2 12 12 A F H X S+ 0 0 35 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.948 119.4 47.9 -60.8 -49.1 -9.8 -5.8 2.8 13 13 A K H X S+ 0 0 116 -4,-4.8 4,-2.9 -5,-0.2 -1,-0.2 0.854 111.6 52.0 -60.8 -34.3 -10.1 -3.2 5.6 14 14 A E H X S+ 0 0 128 -4,-3.3 4,-2.3 -5,-0.4 -1,-0.2 0.922 111.5 45.2 -68.6 -42.6 -8.1 -5.4 7.9 15 15 A A H X S+ 0 0 19 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.899 115.9 47.7 -66.7 -40.1 -5.4 -5.8 5.3 16 16 A F H X S+ 0 0 15 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.948 112.5 47.3 -65.8 -49.6 -5.4 -2.1 4.6 17 17 A G H < S+ 0 0 39 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.910 111.2 52.1 -59.0 -42.6 -5.3 -1.1 8.2 18 18 A L H < S+ 0 0 114 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.904 109.2 50.3 -60.6 -41.3 -2.5 -3.5 8.9 19 19 A F H < S+ 0 0 42 -4,-1.9 2,-2.2 1,-0.3 -1,-0.2 0.895 100.0 65.3 -64.1 -39.4 -0.5 -2.0 6.0 20 20 A D >< + 0 0 6 -4,-2.3 3,-3.2 1,-0.2 -1,-0.3 -0.321 66.7 171.1 -80.2 54.8 -1.1 1.5 7.4 21 21 A K T 3 S+ 0 0 146 -2,-2.2 -1,-0.2 -3,-0.4 -2,-0.1 0.706 78.6 53.5 -39.0 -23.5 1.0 0.6 10.4 22 22 A D T 3 S- 0 0 102 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.770 99.1-140.3 -86.4 -27.2 0.6 4.3 11.2 23 23 A G < + 0 0 58 -3,-3.2 -2,-0.1 -6,-0.2 4,-0.1 0.635 58.8 135.4 77.8 12.5 -3.2 4.4 10.9 24 24 A D S S- 0 0 84 2,-0.3 3,-0.1 -4,-0.1 -1,-0.1 0.698 78.4-111.1 -66.4 -16.6 -3.0 7.8 9.2 25 25 A G S S+ 0 0 41 -5,-0.2 40,-0.4 1,-0.2 2,-0.3 0.226 92.6 68.6 105.0 -12.5 -5.6 6.3 6.7 26 26 A C - 0 0 32 38,-0.1 2,-0.6 -6,-0.1 -2,-0.3 -0.997 69.5-138.8-140.9 145.2 -3.1 6.2 3.8 27 27 A I E -A 63 0A 1 36,-1.9 36,-1.9 -2,-0.3 -7,-0.1 -0.905 21.5-150.5-105.3 120.2 -0.0 4.2 2.9 28 28 A T E > -A 62 0A 45 -2,-0.6 4,-3.8 34,-0.2 5,-0.3 -0.326 32.5-100.8 -81.8 169.1 2.8 6.1 1.3 29 29 A V H > S+ 0 0 38 32,-1.1 4,-3.2 1,-0.2 5,-0.2 0.920 126.5 48.3 -56.4 -43.5 5.3 4.5 -1.1 30 30 A E H > S+ 0 0 148 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 114.6 45.4 -62.4 -43.3 7.8 4.2 1.7 31 31 A E H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.903 113.1 50.2 -67.0 -40.0 5.2 2.7 4.0 32 32 A L H X S+ 0 0 18 -4,-3.8 4,-3.2 1,-0.2 5,-0.4 0.947 105.5 57.0 -62.9 -45.5 4.0 0.4 1.2 33 33 A A H X S+ 0 0 29 -4,-3.2 4,-3.3 1,-0.3 -1,-0.2 0.889 103.9 54.1 -52.4 -39.7 7.6 -0.6 0.6 34 34 A T H X S+ 0 0 65 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.916 111.8 44.0 -61.8 -42.6 7.8 -1.7 4.2 35 35 A V H X S+ 0 0 11 -4,-1.7 4,-1.6 -3,-0.3 3,-0.2 0.964 117.6 43.4 -67.7 -49.7 4.7 -3.9 3.7 36 36 A I H <>S+ 0 0 30 -4,-3.2 5,-1.6 1,-0.2 -2,-0.2 0.894 109.5 59.2 -61.1 -39.0 5.9 -5.3 0.4 37 37 A R H ><5S+ 0 0 178 -4,-3.3 3,-0.9 -5,-0.4 -1,-0.2 0.897 105.0 49.4 -56.5 -41.3 9.3 -5.7 1.9 38 38 A S H 3<5S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 95.4 71.6 -65.8 -37.2 7.8 -8.0 4.5 39 39 A L T 3<5S- 0 0 106 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.192 122.8-102.0 -68.0 22.6 6.0 -10.0 1.9 40 40 A D T < 5S+ 0 0 157 -3,-0.9 2,-0.3 -2,-0.2 -3,-0.2 0.660 96.8 97.9 66.2 16.6 9.5 -11.4 0.9 41 41 A Q < + 0 0 124 -5,-1.6 -2,-0.2 -4,-0.0 -1,-0.2 -0.988 44.4 177.4-136.9 145.5 9.5 -9.1 -2.1 42 42 A N - 0 0 123 -2,-0.3 -5,-0.1 -3,-0.1 -9,-0.0 -0.574 10.6-173.2-149.9 82.2 11.1 -5.6 -2.6 43 43 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.220 33.8 -97.7 -68.7 164.0 10.7 -4.1 -6.1 44 44 A T > - 0 0 80 1,-0.1 4,-2.5 4,-0.0 3,-0.4 -0.452 40.2 -96.4 -82.7 159.1 12.5 -0.8 -7.1 45 45 A E H > S+ 0 0 124 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.866 125.7 60.5 -38.3 -47.3 10.8 2.6 -6.9 46 46 A E H > S+ 0 0 131 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.951 108.1 40.1 -46.8 -63.1 10.1 2.1 -10.6 47 47 A E H > S+ 0 0 84 -3,-0.4 4,-3.1 1,-0.2 5,-0.3 0.903 115.9 53.0 -56.0 -41.4 8.1 -1.1 -10.2 48 48 A L H X S+ 0 0 16 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.921 112.5 44.5 -60.9 -43.0 6.4 0.5 -7.1 49 49 A Q H X S+ 0 0 99 -4,-3.9 4,-4.5 -5,-0.3 5,-0.4 0.962 115.2 46.2 -65.4 -52.3 5.5 3.5 -9.1 50 50 A D H X S+ 0 0 92 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.886 118.6 43.8 -58.9 -38.0 4.2 1.6 -12.1 51 51 A M H X S+ 0 0 78 -4,-3.1 4,-0.7 -5,-0.3 -2,-0.2 0.946 118.8 42.1 -72.2 -47.9 2.3 -0.7 -9.8 52 52 A I H >X S+ 0 0 10 -4,-3.4 4,-4.5 -5,-0.3 3,-1.4 0.948 116.7 48.4 -63.2 -47.3 1.0 2.1 -7.6 53 53 A S H 3< S+ 0 0 64 -4,-4.5 -1,-0.2 1,-0.3 -2,-0.2 0.923 98.1 68.6 -58.2 -45.6 0.2 4.2 -10.6 54 54 A E H 3< S+ 0 0 94 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.785 122.6 17.0 -44.2 -29.9 -1.5 1.3 -12.3 55 55 A V H << S+ 0 0 14 -3,-1.4 2,-2.0 -4,-0.7 -2,-0.2 0.669 95.8 103.0-115.0 -31.1 -4.1 1.8 -9.6 56 56 A D < - 0 0 11 -4,-4.5 7,-0.1 1,-0.2 -1,-0.1 -0.329 47.5-179.6 -58.9 86.2 -3.4 5.3 -8.2 57 57 A A S S+ 0 0 100 -2,-2.0 -1,-0.2 1,-0.2 -4,-0.1 0.847 84.5 34.5 -58.0 -35.0 -6.4 6.7 -10.1 58 58 A D S S- 0 0 85 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.678 101.1-137.6 -93.2 -21.9 -5.5 10.1 -8.7 59 59 A G + 0 0 56 -7,-0.2 -6,-0.1 3,-0.1 -2,-0.1 0.993 50.8 144.2 61.7 64.8 -1.7 9.6 -8.7 60 60 A N - 0 0 72 2,-0.4 3,-0.1 -7,-0.0 -1,-0.1 0.550 69.4-108.2-107.8 -13.2 -0.9 11.1 -5.3 61 61 A G S S+ 0 0 33 1,-0.4 -32,-1.1 -12,-0.1 2,-0.3 0.514 91.6 85.7 96.1 7.5 1.9 8.8 -4.2 62 62 A T E S-A 28 0A 28 -34,-0.2 2,-0.4 -33,-0.1 -2,-0.4 -0.895 70.3-129.1-135.1 164.4 -0.3 7.1 -1.6 63 63 A I E -A 27 0A 4 -36,-1.9 -36,-1.9 -2,-0.3 2,-0.2 -0.972 21.6-165.6-121.0 128.3 -2.8 4.2 -1.5 64 64 A E > - 0 0 92 -2,-0.4 4,-4.4 -38,-0.2 5,-0.3 -0.503 38.9 -96.0-103.9 174.3 -6.3 4.6 0.0 65 65 A F H > S+ 0 0 54 -40,-0.4 4,-3.9 2,-0.2 5,-0.3 0.948 125.9 45.9 -55.5 -52.1 -8.9 1.9 1.0 66 66 A D H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 118.4 43.2 -57.8 -45.1 -10.8 2.2 -2.3 67 67 A E H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.930 116.6 47.1 -65.9 -44.8 -7.5 2.2 -4.2 68 68 A F H X S+ 0 0 18 -4,-4.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.6 49.2 -62.8 -44.4 -6.2 -0.7 -2.1 69 69 A L H X S+ 0 0 47 -4,-3.9 4,-3.3 -5,-0.3 5,-0.3 0.914 112.7 47.9 -62.6 -42.1 -9.4 -2.7 -2.4 70 70 A S H X S+ 0 0 54 -4,-2.4 4,-3.7 -5,-0.3 5,-0.2 0.929 110.0 51.9 -63.9 -45.8 -9.4 -2.2 -6.1 71 71 A L H X S+ 0 0 34 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.908 116.5 40.2 -58.8 -42.1 -5.8 -3.2 -6.4 72 72 A M H X S+ 0 0 64 -4,-2.3 4,-1.3 2,-0.2 3,-0.5 0.964 121.4 41.1 -71.8 -51.6 -6.4 -6.4 -4.5 73 73 A A H < S+ 0 0 34 -4,-3.3 4,-0.3 1,-0.2 -2,-0.2 0.831 111.9 58.7 -64.5 -30.9 -9.8 -7.1 -6.1 74 74 A K H < S+ 0 0 109 -4,-3.7 -1,-0.2 -5,-0.3 -2,-0.2 0.827 113.1 37.7 -67.3 -32.3 -8.3 -6.1 -9.4 75 75 A K H < S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.579 130.4 33.3 -93.7 -11.4 -5.6 -8.8 -9.1 76 76 A V S >< S+ 0 0 69 -4,-1.3 3,-1.0 -5,-0.1 -2,-0.2 0.039 74.0 125.8-128.4 22.8 -8.1 -11.2 -7.5 77 77 A K T 3 + 0 0 165 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.753 63.6 77.0 -54.7 -20.9 -11.2 -10.2 -9.4 78 78 A D T 3 0 0 110 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.961 360.0 360.0 -54.9 -55.1 -11.4 -13.9 -10.3 79 79 A T < 0 0 169 -3,-1.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.282 360.0 360.0 49.1 360.0 -12.7 -14.8 -6.9