==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-FEB-10 2KUH . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.JURANIC,S.MACURA,M.V.SIMEONOV,K.A.JONES,A.R.PENHEITER, . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 65.7 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 . 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 . 5 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.0 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 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 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 0 172 0, 0.0 4,-2.5 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 164.7 11.1 19.2 -1.0 2 83 A E H >> + 0 0 134 3,-0.2 5,-2.6 2,-0.2 4,-0.8 0.881 360.0 65.3 -65.7 -33.6 11.4 21.0 2.3 3 84 A E H 45S+ 0 0 142 3,-0.2 4,-0.4 1,-0.2 5,-0.4 0.968 117.1 24.2 -52.8 -55.8 11.7 17.7 4.2 4 85 A I H >5S+ 0 0 103 3,-0.2 4,-1.4 2,-0.1 -1,-0.2 0.968 136.6 31.9 -73.9 -48.7 14.9 16.9 2.6 5 86 A R H X5S+ 0 0 146 -4,-2.5 4,-1.4 2,-0.2 -3,-0.2 0.947 123.1 41.2 -76.5 -55.6 16.1 20.3 1.6 6 87 A E H X5S+ 0 0 72 -4,-0.8 4,-2.2 -5,-0.5 5,-0.2 0.938 116.4 49.1 -63.9 -41.1 14.7 22.6 4.4 7 88 A A H >> - 0 0 70 -2,-0.5 4,-2.3 34,-0.1 3,-1.0 -0.796 32.7-112.3-101.7 162.2 30.8 17.7 8.5 21 102 A A H 3> S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.934 121.3 58.6 -49.3 -42.9 30.6 14.2 9.9 22 103 A A H 3> S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.899 106.3 47.6 -56.0 -37.2 29.6 15.9 13.1 23 104 A E H <> S+ 0 0 29 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.825 101.7 62.8 -74.7 -29.3 26.7 17.4 11.3 24 105 A L H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.992 103.0 51.0 -53.9 -52.6 25.8 14.1 9.8 25 106 A R H X S+ 0 0 76 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.812 105.8 56.3 -52.9 -32.6 25.2 13.0 13.4 26 107 A H H X S+ 0 0 71 -4,-0.9 4,-2.4 -5,-0.3 -1,-0.2 0.994 108.3 45.1 -59.3 -54.1 23.1 16.1 13.7 27 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.884 111.7 55.3 -55.5 -35.3 20.9 15.0 10.8 28 109 A M H X S+ 0 0 35 -4,-3.1 4,-0.5 -5,-0.2 5,-0.3 0.936 104.1 52.5 -64.0 -41.7 21.0 11.6 12.5 29 110 A T H >< S+ 0 0 59 -4,-2.8 3,-1.0 -5,-0.2 -1,-0.2 0.914 110.6 47.9 -57.1 -43.3 19.6 13.1 15.6 30 111 A N H 3< S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 106.6 57.6 -60.7 -38.8 16.9 14.6 13.5 31 112 A L H 3< S- 0 0 104 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.571 116.4-118.4 -68.5 -8.2 16.4 11.2 12.0 32 113 A G S << S+ 0 0 46 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.1 -0.189 89.6 94.8 98.4 -40.2 15.8 9.9 15.5 33 114 A E - 0 0 138 -5,-0.3 2,-0.7 -6,-0.1 -2,-0.2 -0.746 57.0-166.7 -97.6 117.7 18.7 7.6 15.2 34 115 A K - 0 0 140 -2,-0.6 2,-0.2 -5,-0.1 -9,-0.1 -0.906 4.0-161.5-110.0 116.0 22.0 8.9 16.6 35 116 A L - 0 0 49 -2,-0.7 -6,-0.1 1,-0.1 -7,-0.1 -0.615 23.4-109.2 -95.8 152.5 25.0 7.1 15.8 36 117 A T > - 0 0 89 -2,-0.2 4,-2.8 1,-0.1 3,-0.5 -0.129 38.1 -89.8 -74.8 175.9 28.2 7.4 17.8 37 118 A D H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.877 126.4 58.6 -50.8 -37.8 31.4 9.2 16.7 38 119 A E H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 110.1 41.7 -54.6 -48.7 32.7 5.9 15.3 39 120 A E H > S+ 0 0 65 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.893 105.7 64.1 -70.2 -39.0 29.7 5.7 13.0 40 121 A V H X S+ 0 0 7 -4,-2.8 4,-1.8 2,-0.3 -1,-0.2 0.881 100.8 53.1 -51.8 -35.2 30.0 9.4 12.2 41 122 A D H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.953 106.0 51.2 -64.8 -44.4 33.3 8.5 10.7 42 123 A E H X S+ 0 0 103 -4,-1.6 4,-3.3 1,-0.2 5,-0.4 0.835 101.9 63.6 -56.9 -28.1 31.5 5.9 8.7 43 124 A M H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.930 98.4 53.1 -62.6 -42.4 29.3 8.8 7.8 44 125 A I H X S+ 0 0 55 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.952 112.5 46.5 -53.9 -46.2 32.2 10.4 6.2 45 126 A R H < S+ 0 0 173 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.971 117.4 38.2 -59.3 -57.4 32.6 7.2 4.2 46 127 A E H < S+ 0 0 98 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.763 124.3 42.4 -65.3 -27.5 29.0 6.7 3.2 47 128 A A H < S+ 0 0 0 -4,-2.4 2,-1.2 -5,-0.4 9,-0.3 0.812 98.8 77.2 -90.4 -26.0 28.5 10.3 2.6 48 129 A D < + 0 0 30 -4,-2.8 -1,-0.1 -5,-0.3 7,-0.1 -0.691 46.9 145.7 -89.6 90.8 31.8 11.0 0.9 49 130 A I S S+ 0 0 78 -2,-1.2 -1,-0.2 1,-0.1 6,-0.1 0.782 70.1 54.0 -94.7 -33.7 31.3 9.7 -2.6 50 131 A D S S- 0 0 80 -3,-0.2 -2,-0.1 4,-0.1 -1,-0.1 0.859 104.5-129.3 -66.4 -32.6 33.4 12.3 -4.4 51 132 A G + 0 0 57 3,-0.2 4,-0.1 -6,-0.1 -2,-0.0 0.964 64.1 130.0 75.6 65.1 36.4 11.5 -2.2 52 133 A D S S- 0 0 74 2,-0.4 3,-0.1 0, 0.0 -4,-0.0 0.472 78.1-105.9-119.9 -11.0 37.5 14.9 -0.9 53 134 A G S S+ 0 0 53 1,-0.4 2,-0.3 -9,-0.1 -8,-0.1 0.665 94.1 75.7 88.4 19.8 37.7 14.2 2.8 54 135 A Q S S- 0 0 111 -10,-0.1 2,-0.6 -34,-0.1 -2,-0.4 -0.914 79.1-115.4-154.1 162.9 34.6 16.2 3.6 55 136 A V E -A 19 0A 1 -36,-1.5 -36,-2.7 -2,-0.3 2,-0.2 -0.952 34.8-173.3-114.0 119.8 30.9 15.8 3.2 56 137 A N E > -A 18 0A 31 -2,-0.6 4,-1.8 -9,-0.3 -38,-0.1 -0.502 37.1-107.6-106.7 180.0 29.1 18.1 0.9 57 138 A Y H > S+ 0 0 75 -40,-0.7 4,-1.5 2,-0.2 5,-0.1 0.840 118.4 55.6 -68.4 -33.9 25.5 18.8 -0.0 58 139 A E H >> S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.959 110.0 46.0 -61.7 -47.6 25.8 17.2 -3.4 59 140 A E H 3> S+ 0 0 5 2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.823 101.1 66.2 -63.4 -30.8 27.0 14.1 -1.6 60 141 A F H 3X S+ 0 0 9 -4,-1.8 4,-1.4 1,-0.2 5,-0.3 0.891 109.0 40.5 -56.6 -39.2 24.1 14.6 0.8 61 142 A V H S+ 0 0 56 -4,-1.5 4,-2.7 -3,-0.5 5,-0.9 0.919 112.7 54.2 -68.4 -47.6 22.0 13.8 -2.2 62 143 A Q H <5S+ 0 0 86 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.796 107.6 52.1 -60.9 -26.6 24.3 11.2 -3.4 63 144 A M H <5S+ 0 0 39 -4,-2.9 -1,-0.2 -16,-0.2 -2,-0.2 0.958 122.7 25.7 -74.4 -53.5 24.1 9.3 -0.1 64 145 A M H <5S+ 0 0 104 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.1 0.963 133.1 36.6 -76.7 -50.8 20.4 9.1 0.1 65 146 A T T <5S+ 0 0 89 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.971 86.4 157.9 -60.8 -56.5 19.5 9.3 -3.5 66 147 A A < 0 0 42 -5,-0.9 -3,-0.1 -4,-0.2 -2,-0.1 -0.001 360.0 360.0 56.2-167.2 22.5 7.2 -4.7 67 148 A K 0 0 251 -5,-0.1 -1,-0.0 -4,-0.1 -5,-0.0 -0.938 360.0 360.0-158.6 360.0 22.4 5.5 -8.0