==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-MAY-01 1J7P . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.CHOU,C.B.KLEE,A.BAX . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 65.2 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 4.5 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 . 6 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 47.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1 0 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 82 A E > 0 0 147 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -48.0 34.2 -2.0 19.7 2 83 A E H > + 0 0 159 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.928 360.0 52.2 -62.0 -39.8 37.6 -2.9 21.3 3 84 A E H > S+ 0 0 171 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 113.8 43.2 -61.6 -43.5 36.0 -2.2 24.7 4 85 A I H > S+ 0 0 30 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.937 117.5 45.7 -69.3 -43.5 33.1 -4.5 23.9 5 86 A R H X S+ 0 0 151 -4,-3.3 4,-3.0 2,-0.2 5,-0.3 0.970 115.3 45.8 -65.1 -50.4 35.4 -7.2 22.4 6 87 A E H X S+ 0 0 123 -4,-3.5 4,-2.4 -5,-0.3 -2,-0.2 0.955 115.4 48.0 -58.3 -45.0 37.9 -7.0 25.2 7 88 A A H X S+ 0 0 27 -4,-2.3 4,-1.8 -5,-0.4 -1,-0.2 0.932 111.0 51.4 -61.5 -41.6 35.0 -7.1 27.7 8 89 A F H X S+ 0 0 11 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.923 111.4 47.0 -62.9 -40.2 33.5 -10.0 25.7 9 90 A R H < S+ 0 0 120 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 107.5 57.9 -69.7 -32.7 36.9 -11.9 25.9 10 91 A V H < S+ 0 0 94 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.895 109.7 43.2 -65.5 -36.7 37.1 -11.1 29.6 11 92 A F H < S+ 0 0 30 -4,-1.8 2,-2.4 1,-0.2 3,-0.2 0.805 96.8 79.9 -79.8 -25.9 33.8 -12.9 30.3 12 93 A D >< + 0 0 3 -4,-1.6 3,-1.2 -5,-0.2 -1,-0.2 -0.456 57.9 170.2 -79.7 74.3 34.7 -15.8 28.0 13 94 A K T 3 S+ 0 0 93 -2,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.874 79.5 42.4 -54.1 -38.7 36.9 -17.5 30.6 14 95 A D T 3 S- 0 0 96 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.549 106.7-126.8 -88.3 -4.9 37.2 -20.6 28.4 15 96 A G < + 0 0 34 -3,-1.2 -2,-0.1 -6,-0.2 -3,-0.1 0.800 63.9 141.3 67.6 23.1 37.7 -18.6 25.2 16 97 A N - 0 0 56 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.553 69.6-118.4 -76.7 -3.1 34.8 -20.5 23.7 17 98 A G S S+ 0 0 33 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.581 88.0 87.5 79.3 5.2 33.6 -17.3 21.9 18 99 A Y E S-A 56 0A 98 38,-0.1 2,-0.6 -9,-0.1 -2,-0.3 -0.998 71.4-135.9-139.4 138.8 30.3 -17.5 23.9 19 100 A I E -A 55 0A 0 36,-2.5 36,-2.2 -2,-0.4 2,-0.1 -0.814 22.3-148.2 -96.3 122.2 29.3 -16.2 27.3 20 101 A S > - 0 0 40 -2,-0.6 4,-2.1 -9,-0.2 5,-0.2 -0.471 24.1-113.6 -84.8 159.0 27.3 -18.7 29.4 21 102 A A H > S+ 0 0 33 32,-0.5 4,-1.9 1,-0.2 5,-0.2 0.941 119.9 50.0 -58.8 -44.7 24.6 -17.6 31.9 22 103 A A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 107.5 54.7 -63.5 -33.7 26.7 -18.9 34.8 23 104 A E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 105.3 53.4 -65.5 -36.6 29.7 -16.9 33.4 24 105 A L H X S+ 0 0 8 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.909 105.3 54.2 -63.6 -38.2 27.5 -13.8 33.5 25 106 A R H X S+ 0 0 96 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.893 107.0 51.8 -64.1 -36.2 26.8 -14.5 37.2 26 107 A H H X S+ 0 0 110 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.966 115.8 38.9 -65.7 -50.5 30.6 -14.6 37.8 27 108 A V H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 6,-0.3 0.945 120.8 44.6 -66.0 -47.4 31.2 -11.2 36.1 28 109 A M H <>S+ 0 0 18 -4,-3.1 5,-2.3 -5,-0.2 4,-0.4 0.920 113.7 50.0 -66.0 -41.4 28.0 -9.6 37.5 29 110 A T H ><5S+ 0 0 57 -4,-2.4 3,-0.8 -5,-0.4 -1,-0.2 0.945 118.8 36.7 -65.1 -45.8 28.5 -10.9 41.0 30 111 A N H 3<5S+ 0 0 136 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.841 108.4 64.8 -76.7 -28.6 32.1 -9.8 41.3 31 112 A L T 3<5S- 0 0 110 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.618 127.3-100.0 -68.3 -6.0 31.4 -6.6 39.3 32 113 A G T < 5S+ 0 0 55 -3,-0.8 2,-0.7 -4,-0.4 -3,-0.2 0.335 93.8 114.3 103.3 -5.8 29.2 -5.7 42.3 33 114 A E < - 0 0 93 -5,-2.3 2,-0.9 -6,-0.3 -1,-0.3 -0.850 48.5-164.6-100.0 114.9 25.9 -6.8 40.6 34 115 A K + 0 0 160 -2,-0.7 2,-0.3 -3,-0.1 -5,-0.1 -0.815 14.9 177.8-101.7 102.9 24.3 -9.8 42.4 35 116 A L - 0 0 39 -2,-0.9 2,-0.1 -10,-0.2 -6,-0.1 -0.788 24.9-126.3-104.4 148.1 21.7 -11.3 40.0 36 117 A T > - 0 0 76 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.426 34.0-101.9 -84.9 165.2 19.6 -14.4 40.7 37 118 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.868 126.1 49.3 -57.6 -31.9 19.5 -17.3 38.2 38 119 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 107.4 52.5 -74.8 -41.3 16.1 -16.0 37.1 39 120 A E H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 112.9 45.5 -60.9 -38.0 17.3 -12.4 36.7 40 121 A V H X S+ 0 0 2 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.909 107.5 57.9 -72.6 -35.7 20.1 -13.7 34.5 41 122 A D H X S+ 0 0 70 -4,-1.8 4,-3.5 -5,-0.3 5,-0.3 0.941 106.2 50.1 -57.8 -42.3 17.6 -15.8 32.7 42 123 A E H X S+ 0 0 108 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.953 113.8 44.0 -61.7 -46.6 15.7 -12.6 31.8 43 124 A M H X S+ 0 0 49 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.932 117.3 46.1 -64.7 -42.6 18.9 -11.0 30.6 44 125 A I H X S+ 0 0 5 -4,-3.7 4,-3.6 2,-0.2 -2,-0.2 0.961 114.3 46.7 -65.4 -49.6 19.9 -14.1 28.7 45 126 A R H < S+ 0 0 122 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.901 116.2 45.9 -61.0 -38.2 16.5 -14.6 27.2 46 127 A E H < S+ 0 0 140 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.928 123.1 34.1 -72.3 -42.4 16.3 -10.9 26.2 47 128 A A H < S+ 0 0 6 -4,-2.8 2,-1.1 -5,-0.2 9,-0.2 0.754 101.7 85.9 -83.9 -22.8 19.9 -10.9 24.8 48 129 A D < + 0 0 14 -4,-3.6 7,-0.1 -5,-0.3 -1,-0.1 -0.646 49.2 167.7 -81.1 101.6 19.6 -14.4 23.5 49 130 A I S S+ 0 0 115 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.783 76.3 49.9 -86.1 -28.1 18.0 -14.0 20.1 50 131 A D S S- 0 0 92 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.480 106.4-125.7 -89.0 1.0 18.7 -17.5 18.8 51 132 A G + 0 0 61 -7,-0.2 -2,-0.1 -6,-0.1 -6,-0.1 0.788 69.6 135.3 63.5 23.5 17.2 -19.0 22.0 52 133 A D S S- 0 0 74 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.715 72.5-119.8 -77.0 -15.8 20.5 -20.9 22.5 53 134 A G S S+ 0 0 33 1,-0.3 -32,-0.5 -9,-0.2 2,-0.3 0.592 83.6 83.6 89.4 10.5 20.5 -19.8 26.2 54 135 A Q S S- 0 0 62 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.955 77.3-116.6-141.0 160.4 23.9 -18.0 25.9 55 136 A V E -A 19 0A 7 -36,-2.2 -36,-2.5 -2,-0.3 2,-0.1 -0.864 28.3-164.7-102.7 123.0 25.1 -14.5 24.7 56 137 A N E > -A 18 0A 17 -2,-0.6 4,-3.0 -9,-0.2 5,-0.2 -0.438 40.2 -93.2 -95.6 174.0 27.3 -14.4 21.6 57 138 A Y H > S+ 0 0 64 -40,-0.6 4,-2.6 1,-0.2 5,-0.2 0.935 126.4 49.4 -55.4 -47.0 29.4 -11.3 20.6 58 139 A E H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 114.3 44.8 -60.0 -45.9 26.7 -10.0 18.3 59 140 A E H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 111.6 53.4 -65.5 -39.3 24.0 -10.4 21.0 60 141 A F H X S+ 0 0 14 -4,-3.0 4,-2.7 2,-0.2 5,-0.4 0.945 108.3 50.1 -62.1 -44.3 26.4 -8.8 23.6 61 142 A V H X S+ 0 0 25 -4,-2.6 4,-3.5 -5,-0.2 -2,-0.2 0.965 113.7 44.4 -59.7 -50.6 26.9 -5.8 21.4 62 143 A Q H < S+ 0 0 107 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.925 114.0 50.2 -61.9 -42.4 23.2 -5.3 20.8 63 144 A M H < S+ 0 0 65 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.925 124.8 28.4 -64.4 -41.5 22.4 -5.8 24.5 64 145 A M H < S+ 0 0 77 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.743 131.2 40.1 -91.0 -22.6 25.1 -3.3 25.6 65 146 A T < 0 0 83 -4,-3.5 -2,-0.2 -5,-0.4 -1,-0.2 0.058 360.0 360.0-109.9 24.1 24.8 -1.1 22.4 66 147 A A 0 0 114 -3,-0.3 -4,-0.1 -4,-0.3 -3,-0.1 -0.287 360.0 360.0 -54.7 360.0 21.0 -1.4 22.2