==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 29-MAY-97 1AK8 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.BENTROP,I.BERTINI,M.A.CREMONINI,S.FORSEN,C.LUCHINAT, . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 65.8 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 2.6 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 . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 40.8 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 1 0 2 0 0 0 1 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 0 A M 0 0 253 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.5 -10.3 -25.2 6.2 2 1 A A - 0 0 80 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.849 360.0-105.9-151.9-175.4 -11.2 -23.7 2.9 3 2 A D - 0 0 86 -2,-0.3 2,-0.2 8,-0.0 6,-0.1 -0.491 25.9-176.2-112.4-176.8 -11.8 -20.4 1.1 4 3 A Q - 0 0 123 -2,-0.2 5,-0.3 2,-0.1 -2,-0.0 -0.841 28.6-102.6 179.6 142.9 -14.9 -18.6 -0.2 5 4 A L S > S+ 0 0 112 -2,-0.2 3,-0.6 3,-0.2 4,-0.5 0.222 86.7 36.3 -56.7-170.8 -15.9 -15.5 -2.1 6 5 A T T >> S- 0 0 90 1,-0.2 3,-1.5 2,-0.2 4,-1.3 -0.184 130.8 -7.2 59.1-152.8 -17.4 -12.5 -0.3 7 6 A E H >> S+ 0 0 170 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.877 137.2 56.4 -35.3 -60.7 -16.1 -11.7 3.1 8 7 A E H <> S+ 0 0 79 -3,-0.6 4,-0.8 1,-0.3 3,-0.3 0.861 101.1 59.6 -40.8 -46.4 -14.0 -14.9 3.1 9 8 A Q H X> S+ 0 0 82 -3,-1.5 3,-2.5 -4,-0.5 4,-1.2 0.924 99.0 55.6 -49.3 -52.9 -12.4 -13.6 -0.0 10 9 A I H S+ 0 0 152 -3,-1.5 4,-1.9 -4,-0.5 3,-0.6 0.895 106.1 59.4 -54.5 -44.1 -2.0 -11.2 2.6 16 15 A A H 3X S+ 0 0 26 -4,-0.9 4,-1.2 1,-0.3 3,-0.3 0.937 102.8 50.9 -49.5 -54.8 -2.1 -8.9 -0.4 17 16 A F H 3X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.807 105.7 59.3 -53.5 -32.0 -2.0 -5.9 1.9 18 17 A S H << S+ 0 0 61 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.951 93.0 63.6 -62.4 -52.0 1.0 -7.5 3.6 19 18 A L H < S+ 0 0 114 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.881 115.4 32.4 -36.7 -56.5 3.0 -7.5 0.4 20 19 A F H < S+ 0 0 43 -4,-1.2 2,-1.3 1,-0.2 -1,-0.3 0.887 109.7 73.6 -70.5 -41.2 2.9 -3.7 0.5 21 20 A D < + 0 0 10 -4,-2.8 3,-0.4 -5,-0.2 -1,-0.2 -0.645 54.4 169.8 -79.2 96.0 2.9 -3.6 4.2 22 21 A K S S+ 0 0 144 -2,-1.3 -1,-0.2 1,-0.2 -3,-0.1 0.118 73.8 63.1 -92.5 19.6 6.5 -4.5 5.1 23 22 A D S S- 0 0 102 4,-0.3 -1,-0.2 -5,-0.1 5,-0.1 0.555 87.0-148.0-114.1 -20.2 5.8 -3.5 8.6 24 23 A G + 0 0 60 -3,-0.4 -2,-0.1 -6,-0.2 4,-0.1 0.668 68.0 116.3 57.5 16.2 3.2 -6.1 9.4 25 24 A D S S- 0 0 93 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.790 93.9-102.1 -82.0 -31.2 1.7 -3.5 11.7 26 25 A G S S+ 0 0 34 1,-0.4 40,-0.4 -9,-0.1 2,-0.3 0.523 90.3 91.8 117.2 17.0 -1.4 -3.2 9.6 27 26 A T - 0 0 34 38,-0.1 2,-0.6 39,-0.1 -1,-0.4 -0.976 60.4-144.4-140.6 152.3 -0.7 -0.0 7.7 28 27 A I B +A 64 0A 0 36,-4.0 36,-0.7 -2,-0.3 -7,-0.1 -0.915 24.9 179.4-122.2 102.8 1.0 0.9 4.4 29 28 A T - 0 0 43 -2,-0.6 4,-0.3 34,-0.2 34,-0.1 0.228 45.1 -84.0 -79.5-154.3 3.0 4.1 4.5 30 29 A T S >> S+ 0 0 10 2,-0.2 4,-2.9 3,-0.1 3,-1.3 0.964 124.5 44.3 -80.6 -62.0 4.9 5.6 1.6 31 30 A K H 3> S+ 0 0 158 1,-0.3 4,-0.6 2,-0.3 5,-0.1 0.934 112.4 53.4 -46.9 -56.6 8.2 3.7 1.8 32 31 A E H 3> S+ 0 0 13 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.783 113.4 45.7 -50.1 -29.0 6.3 0.5 2.2 33 32 A L H <> S+ 0 0 17 -3,-1.3 4,-0.9 -4,-0.3 -1,-0.3 0.855 110.5 50.7 -82.0 -39.4 4.5 1.5 -0.9 34 33 A G H < S+ 0 0 9 -4,-2.9 -2,-0.2 2,-0.1 -1,-0.2 0.316 108.1 61.1 -80.3 8.5 7.7 2.6 -2.7 35 34 A T H >< S+ 0 0 29 -4,-0.6 3,-3.9 -5,-0.3 4,-0.3 0.886 98.0 45.7 -96.1 -68.9 9.1 -0.8 -1.8 36 35 A V H >X S+ 0 0 14 -4,-1.2 3,-2.9 1,-0.3 4,-0.7 0.800 99.8 76.7 -45.5 -31.5 6.9 -3.5 -3.4 37 36 A M H >X>S+ 0 0 26 -4,-0.9 5,-3.2 1,-0.3 4,-1.2 0.791 78.7 70.9 -50.5 -30.6 7.2 -1.3 -6.4 38 37 A R H <45S+ 0 0 144 -3,-3.9 -1,-0.3 1,-0.3 -2,-0.2 0.801 92.0 58.1 -57.1 -30.1 10.6 -2.7 -6.8 39 38 A S H <45S+ 0 0 89 -3,-2.9 -1,-0.3 -4,-0.3 -2,-0.2 0.881 108.9 42.6 -67.3 -39.9 8.9 -5.9 -7.8 40 39 A L H <<5S- 0 0 134 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.601 123.2-109.2 -80.5 -12.9 7.1 -4.2 -10.6 41 40 A G T <5S+ 0 0 65 -4,-1.2 -3,-0.3 1,-0.3 2,-0.2 0.680 79.9 122.6 90.7 22.3 10.4 -2.4 -11.4 42 41 A Q < + 0 0 89 -5,-3.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.526 34.8 175.3-108.2 176.6 9.2 0.9 -10.2 43 42 A N - 0 0 129 -2,-0.2 -9,-0.1 -3,-0.1 -8,-0.0 -0.147 13.8-176.6 177.3 72.1 10.4 3.4 -7.5 44 43 A P - 0 0 28 0, 0.0 -7,-0.0 0, 0.0 -2,-0.0 -0.241 31.9 -96.5 -75.0 166.7 8.5 6.7 -7.3 45 44 A T > - 0 0 92 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.173 35.9-101.0 -76.4 174.0 9.4 9.5 -5.0 46 45 A E H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.595 121.7 60.7 -71.5 -10.8 7.8 10.2 -1.6 47 46 A A H > S+ 0 0 68 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.944 105.0 42.6 -79.6 -54.2 5.8 12.8 -3.4 48 47 A E H >> S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 3,-0.7 0.961 114.8 50.2 -55.8 -57.4 4.0 10.6 -5.9 49 48 A L H 3X S+ 0 0 6 -4,-1.8 4,-3.6 1,-0.3 5,-0.4 0.932 104.6 58.0 -45.5 -58.3 3.3 7.9 -3.3 50 49 A Q H 3X S+ 0 0 67 -4,-1.2 4,-1.6 1,-0.3 -1,-0.3 0.856 109.0 46.3 -39.8 -46.3 1.9 10.5 -1.0 51 50 A D H << S+ 0 0 102 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.904 113.1 49.1 -65.1 -42.8 -0.6 11.3 -3.7 52 51 A M H >< S+ 0 0 67 -4,-2.3 3,-1.1 -3,-0.3 4,-0.4 0.879 112.4 47.3 -63.6 -40.1 -1.2 7.7 -4.3 53 52 A I H >X S+ 0 0 1 -4,-3.6 4,-2.1 1,-0.3 3,-0.6 0.774 110.6 52.9 -71.5 -27.2 -1.8 7.1 -0.6 54 53 A N T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.311 97.2 70.0 -88.8 7.1 -4.0 10.2 -0.6 55 54 A E T <4 S+ 0 0 119 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.619 117.1 17.2 -95.8 -18.3 -5.9 8.6 -3.4 56 55 A V T <4 S+ 0 0 21 -3,-0.6 2,-1.2 -4,-0.4 -2,-0.2 0.653 106.6 85.0-119.3 -40.4 -7.4 5.9 -1.2 57 56 A D < + 0 0 7 -4,-2.1 -1,-0.1 1,-0.2 5,-0.1 -0.565 45.7 168.8 -71.4 98.4 -6.9 7.2 2.3 58 57 A A S S+ 0 0 100 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.1 0.522 73.6 65.0 -87.2 -8.0 -9.9 9.4 2.6 59 58 A D S S- 0 0 88 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.790 96.7-139.7 -82.3 -31.3 -9.1 9.8 6.3 60 59 A G + 0 0 55 -7,-0.2 -2,-0.1 3,-0.2 -6,-0.1 0.819 53.4 143.6 74.0 32.9 -5.9 11.6 5.6 61 60 A N - 0 0 66 2,-0.3 3,-0.1 1,-0.1 -7,-0.1 0.703 67.1-119.8 -74.2 -20.5 -4.1 9.8 8.3 62 61 A G S S+ 0 0 26 1,-0.4 2,-0.2 -9,-0.1 -9,-0.1 -0.000 86.4 71.8 104.0 -25.9 -1.1 9.8 6.1 63 62 A T S S- 0 0 28 -34,-0.1 -1,-0.4 -9,-0.0 2,-0.4 -0.520 79.0-114.9-112.3-179.2 -0.8 6.0 5.9 64 63 A I B -A 28 0A 5 -36,-0.7 -36,-4.0 -2,-0.2 2,-0.1 -0.961 23.7-162.0-123.2 139.1 -2.9 3.2 4.3 65 64 A D > - 0 0 46 -2,-0.4 4,-0.7 -38,-0.3 -38,-0.1 -0.279 37.0 -96.5-103.4-169.3 -4.9 0.6 6.0 66 65 A F H > S+ 0 0 47 -40,-0.4 4,-1.9 2,-0.2 5,-0.1 0.898 124.9 40.7 -76.9 -44.1 -6.3 -2.8 4.9 67 66 A P H > S+ 0 0 80 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.751 115.3 53.1 -75.0 -25.7 -9.8 -1.5 4.1 68 67 A E H 4 S+ 0 0 43 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.711 114.5 41.8 -80.1 -22.6 -8.3 1.7 2.6 69 68 A F H >X S+ 0 0 5 -4,-0.7 4,-1.2 2,-0.2 3,-0.9 0.746 98.6 72.2 -92.9 -30.0 -6.1 -0.4 0.4 70 69 A L H 3X S+ 0 0 24 -4,-1.9 4,-2.0 1,-0.3 3,-0.4 0.852 94.0 58.0 -52.8 -36.8 -8.7 -3.0 -0.5 71 70 A T H 3X S+ 0 0 63 -4,-0.7 4,-1.9 1,-0.2 -1,-0.3 0.860 97.7 60.3 -61.7 -37.4 -10.3 -0.2 -2.6 72 71 A M H <> S+ 0 0 70 -3,-0.9 4,-0.8 -4,-0.3 -1,-0.2 0.856 106.7 46.7 -58.4 -37.5 -7.0 0.1 -4.6 73 72 A M H < S+ 0 0 71 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.921 104.9 58.2 -70.7 -46.6 -7.4 -3.5 -5.6 74 73 A A H < S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.880 99.5 65.8 -49.9 -42.4 -11.1 -3.2 -6.6 75 74 A R H < 0 0 163 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.1 0.919 360.0 360.0 -42.8 -91.7 -10.0 -0.5 -9.0 76 75 A K < 0 0 230 -4,-0.8 -1,-0.1 0, 0.0 0, 0.0 -0.476 360.0 360.0 -64.1 360.0 -7.9 -2.4 -11.5