==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN/METAL TRANSPORT 13-MAY-10 2KXW . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM TETRAURELIA; . AUTHOR M.D.FELDKAMP,L.YU,M.A.SHEA . 100 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 72.0 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 . 6 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 1 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 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 . 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 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 76 A M 0 0 237 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.9 6.8 21.3 1.9 2 77 A K - 0 0 175 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.628 360.0-158.3-147.1 82.4 6.4 17.6 1.5 3 78 A E - 0 0 161 -2,-0.2 4,-0.1 1,-0.1 3,-0.0 0.133 8.3-151.0 -50.9 173.8 3.2 16.1 3.1 4 79 A Q >> + 0 0 96 2,-0.1 4,-2.2 3,-0.1 5,-0.6 -0.129 46.3 134.5-145.3 39.9 3.0 12.5 4.0 5 80 A D T 45S+ 0 0 88 1,-0.2 4,-0.4 2,-0.2 84,-0.1 0.810 88.1 33.0 -61.2 -30.5 -0.7 11.6 3.7 6 81 A S T >5S+ 0 0 30 3,-0.2 4,-3.0 2,-0.1 5,-0.3 0.850 117.5 52.8 -92.7 -43.4 0.2 8.5 1.9 7 82 A E H >5S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.962 117.0 37.0 -57.3 -57.2 3.5 7.6 3.6 8 83 A E H X5S+ 0 0 117 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.901 121.3 46.6 -63.6 -42.9 2.1 7.8 7.1 9 84 A E H >< S+ 0 0 3 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.864 103.4 65.8 -70.7 -36.4 0.2 -1.9 6.3 15 90 A K H >< S+ 0 0 127 -4,-1.5 3,-2.1 1,-0.3 -1,-0.2 0.858 92.0 63.0 -52.9 -37.6 1.2 -2.2 10.0 16 91 A V T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.791 105.8 45.8 -58.8 -28.2 -2.4 -3.5 10.6 17 92 A F T < S+ 0 0 20 -3,-1.9 -1,-0.3 -4,-0.4 9,-0.3 -0.035 84.7 142.3-104.9 29.2 -1.5 -6.4 8.4 18 93 A D < + 0 0 39 -3,-2.1 7,-0.2 1,-0.2 -3,-0.1 -0.518 10.8 154.1 -74.2 135.7 1.9 -7.0 10.0 19 94 A R + 0 0 160 5,-1.3 -1,-0.2 -2,-0.2 6,-0.1 0.620 67.1 57.9-126.9 -45.5 2.8 -10.7 10.4 20 95 A D S S- 0 0 67 4,-0.6 5,-0.1 1,-0.1 -2,-0.1 0.820 96.9-134.1 -60.1 -31.4 6.6 -10.9 10.4 21 96 A G S S+ 0 0 58 3,-0.3 -1,-0.1 1,-0.0 -3,-0.1 -0.218 93.0 70.8 105.1 -43.0 6.6 -8.6 13.4 22 97 A N S S- 0 0 143 1,-0.0 -4,-0.0 0, 0.0 -1,-0.0 0.859 126.0 -73.3 -74.6 -36.9 9.4 -6.2 12.2 23 98 A G S S+ 0 0 0 1,-0.1 40,-1.4 -6,-0.1 41,-0.4 0.485 84.6 127.7 140.8 57.0 7.2 -4.7 9.5 24 99 A L E -A 62 0A 28 38,-0.2 -5,-1.3 39,-0.1 -4,-0.6 -0.885 34.6-154.7-131.5 162.5 6.6 -7.0 6.5 25 100 A I E -A 61 0A 7 36,-2.1 36,-0.6 -2,-0.3 2,-0.5 -0.994 21.5-117.4-140.4 145.4 3.6 -8.3 4.5 26 101 A S E > -A 60 0A 35 -2,-0.3 4,-2.9 -9,-0.3 34,-0.2 -0.702 12.4-156.2 -85.3 125.5 2.9 -11.4 2.4 27 102 A A H > S+ 0 0 11 32,-1.2 4,-1.8 -2,-0.5 5,-0.2 0.843 92.1 60.3 -67.1 -34.5 2.1 -10.6 -1.2 28 103 A A H > S+ 0 0 80 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.952 118.4 26.9 -58.3 -53.1 0.2 -13.9 -1.6 29 104 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.860 116.7 61.9 -78.1 -37.8 -2.4 -13.1 1.1 30 105 A L H X S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.803 99.8 58.2 -58.0 -30.1 -2.1 -9.3 0.6 31 106 A R H X S+ 0 0 91 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.954 109.9 39.8 -65.9 -51.7 -3.3 -9.8 -2.9 32 107 A H H X S+ 0 0 123 -4,-0.9 4,-2.5 3,-0.2 -2,-0.2 0.880 115.5 54.3 -65.6 -39.6 -6.6 -11.5 -1.9 33 108 A V H X S+ 0 0 41 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.980 116.0 34.2 -58.4 -62.7 -7.1 -9.1 1.0 34 109 A M H >< S+ 0 0 0 -4,-2.1 7,-1.0 1,-0.2 3,-0.7 0.926 121.7 47.8 -60.9 -48.3 -6.8 -5.8 -1.0 35 110 A T H 3< S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.887 111.5 50.7 -61.6 -39.9 -8.4 -7.2 -4.1 36 111 A N H 3< S+ 0 0 94 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.670 116.2 48.7 -72.0 -17.0 -11.3 -8.7 -2.1 37 112 A L S XX S+ 0 0 27 -4,-0.9 4,-1.4 -3,-0.7 3,-0.6 -0.541 96.0 23.7-115.4-177.6 -11.8 -5.3 -0.4 38 113 A G T 34 S- 0 0 47 1,-0.2 2,-0.1 -2,-0.2 46,-0.1 -0.394 128.6 -19.1 65.5-134.9 -12.1 -1.7 -1.4 39 114 A E T 34 S- 0 0 149 -2,-0.1 -1,-0.2 45,-0.1 3,-0.1 -0.230 112.2 -77.3 -97.9 42.3 -13.4 -1.1 -4.9 40 115 A K T <4 - 0 0 150 -3,-0.6 -5,-0.2 -6,-0.2 -2,-0.2 0.991 57.7-130.6 61.4 63.6 -12.4 -4.6 -5.9 41 116 A L < - 0 0 7 -4,-1.4 -1,-0.1 -7,-1.0 -4,-0.1 -0.210 26.3-111.5 -48.5 119.8 -8.6 -4.0 -6.2 42 117 A T > - 0 0 78 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.183 12.4-132.0 -55.6 145.3 -7.5 -5.4 -9.6 43 118 A D H > S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.791 106.6 51.4 -69.4 -29.2 -5.3 -8.4 -9.5 44 119 A D H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.929 108.1 48.8 -73.9 -47.9 -2.9 -6.8 -12.0 45 120 A E H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.881 112.8 49.1 -59.8 -39.7 -2.5 -3.5 -10.1 46 121 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.828 105.5 58.2 -69.4 -32.5 -1.8 -5.4 -6.9 47 122 A D H X S+ 0 0 62 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.808 107.7 47.3 -67.1 -31.0 0.8 -7.6 -8.7 48 123 A E H X S+ 0 0 101 -4,-1.4 4,-2.2 -3,-0.2 5,-0.3 0.948 110.9 47.8 -75.5 -52.1 2.8 -4.5 -9.7 49 124 A M H X S+ 0 0 3 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.867 116.1 45.8 -56.9 -39.7 2.8 -2.7 -6.3 50 125 A I H X S+ 0 0 11 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.826 109.2 55.4 -74.0 -33.0 3.9 -6.0 -4.6 51 126 A R H < S+ 0 0 168 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 113.0 40.8 -66.9 -41.0 6.5 -6.8 -7.2 52 127 A E H < S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.697 103.7 71.0 -79.9 -21.1 8.3 -3.4 -6.8 53 128 A A H < S- 0 0 4 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.951 115.9 -94.9 -60.7 -51.5 7.9 -3.6 -3.0 54 129 A D < - 0 0 66 -4,-1.3 7,-0.2 7,-0.1 6,-0.1 -0.345 39.9-168.9 172.2 -81.0 10.4 -6.3 -2.5 55 130 A I - 0 0 63 5,-0.6 2,-0.3 1,-0.1 6,-0.2 0.952 19.3-178.9 59.7 93.7 9.3 -10.0 -2.3 56 131 A D B > -B 60 0A 126 4,-1.2 4,-1.2 0, 0.0 2,-1.1 -0.943 51.3 -24.5-125.9 146.8 12.2 -12.1 -1.2 57 132 A G T 4 S- 0 0 83 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.372 136.2 -2.8 58.9 -95.3 12.6 -15.8 -0.6 58 133 A D T 4 S- 0 0 161 -2,-1.1 -1,-0.2 0, 0.0 -32,-0.0 0.915 123.6 -58.6 -89.9 -75.9 9.0 -16.7 0.1 59 134 A G T 4 S+ 0 0 14 -3,-0.3 -32,-1.2 -32,-0.1 2,-0.3 0.149 75.1 149.9-164.8 28.6 6.8 -13.6 -0.0 60 135 A H E < -AB 26 56A 81 -4,-1.2 -4,-1.2 -34,-0.2 -5,-0.6 -0.532 19.4-176.9 -74.0 132.8 8.1 -11.2 2.6 61 136 A I E -A 25 0A 3 -36,-0.6 -36,-2.1 -2,-0.3 2,-0.4 -0.928 18.8-143.7-137.5 112.8 7.6 -7.5 1.8 62 137 A N E > -A 24 0A 41 -2,-0.4 4,-1.5 -38,-0.3 3,-0.3 -0.599 3.4-155.3 -76.0 123.8 8.8 -4.6 4.0 63 138 A Y H > S+ 0 0 7 -40,-1.4 4,-1.1 -2,-0.4 -1,-0.1 0.473 88.8 66.4 -77.7 -1.0 6.3 -1.8 3.9 64 139 A E H > S+ 0 0 126 -41,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.880 106.4 36.5 -85.6 -42.4 9.1 0.7 4.8 65 140 A E H > S+ 0 0 106 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.874 118.1 52.4 -76.1 -38.4 11.1 0.3 1.6 66 141 A F H X S+ 0 0 3 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.944 115.2 40.1 -62.2 -49.3 7.9 0.0 -0.5 67 142 A V H X S+ 0 0 3 -4,-1.1 4,-1.3 2,-0.2 5,-0.3 0.852 113.1 57.9 -68.3 -34.3 6.4 3.2 1.0 68 143 A R H X S+ 0 0 173 -4,-1.6 4,-3.4 1,-0.2 3,-0.5 0.958 113.5 35.9 -60.3 -53.5 9.9 4.8 0.8 69 144 A M H X S+ 0 0 48 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.820 108.8 66.6 -70.1 -31.7 10.3 4.3 -2.9 70 145 A M H < S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.828 121.5 19.1 -58.5 -32.5 6.5 4.9 -3.5 71 146 A V H < S+ 0 0 52 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.707 119.3 63.0-107.5 -32.1 7.1 8.5 -2.4 72 147 A S H < 0 0 94 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.810 360.0 360.0 -63.8 -30.2 10.9 8.8 -2.9 73 148 A K < 0 0 156 -4,-2.1 24,-0.2 -5,-0.2 -1,-0.1 -0.882 360.0 360.0-162.8 360.0 10.3 8.3 -6.6 74 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 1901 B K 0 0 223 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.7 -14.2 -5.6 17.5 76 1902 B R - 0 0 195 1,-0.1 2,-2.3 2,-0.1 3,-0.2 -0.306 360.0-111.3 -59.9 138.1 -14.5 -3.5 14.4 77 1903 B K >> + 0 0 134 1,-0.2 4,-1.0 2,-0.1 3,-0.7 -0.467 45.0 169.4 -73.4 77.7 -12.6 -4.9 11.4 78 1904 B Q H 3> + 0 0 111 -2,-2.3 4,-2.2 1,-0.2 5,-0.3 0.718 65.2 77.3 -62.6 -20.9 -10.0 -2.2 11.3 79 1905 B E H 3> S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.939 94.6 45.1 -54.8 -52.2 -8.0 -4.4 8.8 80 1906 B E H <> S+ 0 0 100 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.896 109.2 58.1 -60.2 -41.1 -10.3 -3.5 5.9 81 1907 B V H >X S+ 0 0 64 -4,-1.0 4,-1.6 1,-0.3 3,-1.5 0.959 106.7 45.4 -53.4 -57.4 -10.2 0.2 6.9 82 1908 B S H 3X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.790 108.2 61.2 -57.6 -27.1 -6.5 0.4 6.6 83 1909 B A H 3X S+ 0 0 0 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.3 0.794 101.7 52.2 -70.7 -28.4 -6.9 -1.5 3.3 84 1910 B I H X S+ 0 0 35 -4,-1.6 4,-1.3 1,-0.2 3,-0.6 0.931 113.8 52.2 -61.4 -46.5 -6.5 4.1 2.7 86 1912 B I H 3X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.843 103.9 59.2 -59.1 -32.0 -3.6 2.1 1.5 87 1913 B Q H 3X S+ 0 0 20 -4,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.876 99.8 56.3 -63.7 -36.6 -5.5 1.4 -1.7 88 1914 B R H