==== 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 2KUG . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.JURANIC,S.MACURA,M.V.SIMEONOV,K.A.JONES,A.R.PENHEITER, . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 67.1 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 . 1 1.3 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 . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 47.4 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 3 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 1 A A 0 0 109 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 120.3 47.4 14.8 16.3 2 2 A D + 0 0 155 2,-0.6 3,-0.1 3,-0.0 4,-0.0 0.894 360.0 4.2 -86.4 -68.0 44.2 15.3 14.5 3 3 A Q S S- 0 0 66 1,-0.4 2,-0.2 2,-0.0 3,-0.1 0.968 137.2 -43.8 -74.4 -60.6 43.6 11.8 13.0 4 4 A L S S- 0 0 91 1,-0.2 -2,-0.6 2,-0.0 -1,-0.4 -0.806 84.1 -47.5-153.9-174.6 46.7 10.3 14.6 5 5 A T > - 0 0 78 -2,-0.2 4,-2.2 -4,-0.2 5,-0.2 -0.222 64.7 -97.5 -59.3 158.8 50.3 11.1 15.3 6 6 A E H > S+ 0 0 135 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.810 123.2 65.6 -47.3 -29.5 52.4 12.4 12.4 7 7 A E H > S+ 0 0 114 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.986 105.7 37.8 -54.8 -64.9 53.5 8.8 12.0 8 8 A Q H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 118.3 49.9 -57.8 -44.1 50.1 7.4 11.1 9 9 A I H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.932 110.0 51.7 -53.3 -48.5 49.3 10.5 9.0 10 10 A A H X S+ 0 0 27 -4,-3.3 4,-2.5 1,-0.2 3,-0.4 0.941 108.3 50.9 -56.5 -49.7 52.6 10.3 7.2 11 11 A E H X S+ 0 0 82 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.874 104.9 57.2 -56.8 -36.8 51.9 6.7 6.4 12 12 A F H X S+ 0 0 25 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.889 105.7 50.8 -61.6 -33.9 48.6 7.7 5.1 13 13 A K H X S+ 0 0 115 -4,-1.9 4,-1.9 -3,-0.4 -2,-0.2 0.933 110.4 48.6 -64.1 -43.4 50.4 10.0 2.8 14 14 A E H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 108.4 54.0 -62.0 -38.9 52.6 7.1 1.7 15 15 A A H X S+ 0 0 16 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.858 103.5 57.6 -61.7 -35.2 49.5 5.0 1.2 16 16 A F H >X S+ 0 0 41 -4,-1.8 4,-2.6 2,-0.2 3,-0.7 0.943 104.8 49.8 -59.7 -46.9 48.2 7.7 -1.1 17 17 A S H 3< S+ 0 0 76 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.926 108.2 53.7 -56.2 -45.6 51.3 7.3 -3.2 18 18 A L H 3< S+ 0 0 116 -4,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.770 112.1 46.5 -59.0 -27.0 50.7 3.5 -3.3 19 19 A F H << S+ 0 0 0 -4,-1.2 2,-1.6 -3,-0.7 -2,-0.2 0.981 112.4 46.3 -78.8 -57.1 47.3 4.2 -4.5 20 20 A D < + 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 -0.586 66.4 162.0 -91.7 73.3 48.0 6.8 -7.2 21 21 A K S S+ 0 0 115 -2,-1.6 -1,-0.2 -3,-0.3 -3,-0.1 0.671 76.6 50.1 -63.3 -24.1 50.9 5.0 -8.8 22 22 A D S S- 0 0 84 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.700 102.7-134.5 -85.9 -22.2 50.5 7.1 -11.8 23 23 A G + 0 0 58 -3,-0.2 -2,-0.1 -6,-0.2 4,-0.1 0.818 57.3 142.1 68.8 31.1 50.5 10.3 -9.8 24 24 A D S S- 0 0 82 2,-0.2 3,-0.1 1,-0.0 -1,-0.0 0.505 70.8-114.3 -77.8 -2.9 47.6 11.7 -11.8 25 25 A G S S+ 0 0 44 -5,-0.1 2,-0.3 1,-0.1 40,-0.1 0.626 88.8 93.8 73.5 18.1 46.1 13.2 -8.6 26 26 A T - 0 0 50 38,-0.1 2,-0.7 36,-0.0 -2,-0.2 -0.897 63.8-148.8-151.0 116.1 43.1 10.8 -8.9 27 27 A I B -A 63 0A 2 36,-2.7 36,-1.8 -2,-0.3 2,-0.1 -0.663 26.2-152.0 -82.1 118.0 42.4 7.5 -7.4 28 28 A T > - 0 0 52 -2,-0.7 4,-2.7 34,-0.2 5,-0.2 -0.486 23.9-111.9 -86.6 170.1 40.3 5.5 -9.8 29 29 A T H > S+ 0 0 39 32,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.927 121.2 48.5 -63.0 -41.9 37.8 2.8 -9.0 30 30 A K H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.945 109.9 52.2 -61.8 -42.7 40.0 0.2 -10.6 31 31 A E H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.899 99.7 63.6 -57.3 -38.6 42.8 1.6 -8.6 32 32 A L H X>S+ 0 0 13 -4,-2.7 4,-3.0 1,-0.3 5,-0.6 0.858 97.3 58.2 -52.8 -38.3 40.7 1.2 -5.5 33 33 A G H X5S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.972 109.2 42.2 -53.9 -53.5 40.9 -2.5 -6.3 34 34 A T H X5S+ 0 0 70 -4,-1.5 4,-1.9 3,-0.2 -2,-0.2 0.938 115.0 54.6 -54.1 -45.8 44.6 -2.2 -6.1 35 35 A V H >X5S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 3,-0.7 0.949 113.8 35.5 -51.7 -69.2 44.2 0.0 -3.0 36 36 A M H 3<5S+ 0 0 37 -4,-3.0 5,-0.2 1,-0.3 -1,-0.2 0.906 120.1 52.8 -59.1 -38.3 42.0 -2.2 -0.8 37 37 A R H >< - 0 0 83 -2,-0.2 4,-1.4 1,-0.1 0, 0.0 -0.479 34.0-102.2 -86.0 164.6 34.7 -7.2 -5.6 45 45 A E H >> S+ 0 0 174 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.935 128.0 52.9 -53.4 -40.7 34.1 -5.1 -8.7 46 46 A A H 3> S+ 0 0 49 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.949 101.4 59.2 -57.7 -46.4 31.2 -3.6 -6.9 47 47 A E H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.809 102.5 53.9 -58.4 -25.1 33.4 -2.8 -4.0 48 48 A L H < S+ 0 0 0 -4,-1.3 3,-2.1 -5,-0.3 4,-0.5 0.992 115.2 46.1 -63.6 -58.7 34.8 5.1 -3.9 53 53 A N H >< S+ 0 0 106 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.828 106.9 58.6 -58.2 -33.0 31.2 6.4 -4.0 54 54 A E H 3< S+ 0 0 128 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.779 119.0 30.8 -64.9 -25.9 30.7 5.8 -0.4 55 55 A V T << S+ 0 0 27 -3,-2.1 2,-0.6 -4,-0.7 -1,-0.2 0.152 90.0 117.8-118.1 16.2 33.6 8.1 0.4 56 56 A D < - 0 0 19 -3,-0.8 7,-0.1 -4,-0.5 -4,-0.0 -0.723 37.7-177.2 -87.4 116.4 33.3 10.4 -2.5 57 57 A A S S+ 0 0 83 -2,-0.6 -1,-0.2 1,-0.1 6,-0.1 0.805 80.5 42.5 -86.2 -26.1 32.6 13.8 -1.2 58 58 A D S S- 0 0 91 4,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.618 98.5-128.2 -92.0 -14.6 32.3 15.6 -4.5 59 59 A G S S+ 0 0 61 3,-0.2 -6,-0.1 -6,-0.1 -2,-0.0 0.653 73.5 122.9 76.8 9.6 30.2 13.0 -6.3 60 60 A N S S- 0 0 90 2,-0.2 3,-0.1 -7,-0.0 -7,-0.1 0.853 79.8-112.7 -75.0 -32.6 32.7 13.0 -9.2 61 61 A G S S+ 0 0 31 1,-0.4 -32,-0.3 -9,-0.1 2,-0.3 0.711 83.3 85.3 99.6 31.5 33.7 9.4 -9.1 62 62 A T - 0 0 34 -34,-0.1 2,-0.4 -10,-0.1 -1,-0.4 -0.963 64.8-131.0-152.8 161.0 37.3 9.6 -8.0 63 63 A I B -A 27 0A 7 -36,-1.8 -36,-2.7 -2,-0.3 2,-0.2 -0.970 19.1-174.9-125.1 136.3 39.2 9.8 -4.7 64 64 A D > - 0 0 53 -2,-0.4 4,-3.3 -38,-0.2 5,-0.2 -0.559 44.0 -92.8-110.9 179.4 41.9 12.2 -3.7 65 65 A F H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 123.4 51.7 -56.2 -51.0 44.1 12.6 -0.6 66 66 A P H > S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.928 115.1 43.3 -47.9 -44.9 41.7 15.0 1.2 67 67 A E H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.940 110.3 56.3 -69.3 -40.9 38.8 12.5 0.6 68 68 A F H X S+ 0 0 10 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.897 105.9 51.9 -56.6 -42.0 41.0 9.7 1.5 69 69 A L H X S+ 0 0 51 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.903 107.7 49.8 -64.1 -40.8 41.7 11.4 4.9 70 70 A T H X S+ 0 0 77 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.943 110.8 50.9 -61.4 -39.9 38.1 11.8 5.6 71 71 A M H >X S+ 0 0 40 -4,-2.7 4,-1.5 1,-0.2 3,-0.6 0.927 105.3 57.5 -58.2 -42.1 37.6 8.2 4.8 72 72 A M H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 98.2 59.0 -60.0 -35.6 40.5 7.4 7.2 73 73 A A H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.857 104.6 51.5 -58.7 -36.8 38.5 9.1 9.9 74 74 A R H << S+ 0 0 189 -4,-1.3 2,-2.0 -3,-0.6 -1,-0.3 0.804 86.8 92.6 -67.4 -29.6 35.9 6.5 9.3 75 75 A K < 0 0 119 -4,-1.5 -1,-0.1 -3,-0.2 -3,-0.0 -0.435 360.0 360.0 -69.9 84.7 38.5 3.8 9.5 76 76 A M 0 0 198 -2,-2.0 -3,-0.0 0, 0.0 -2,-0.0 -0.920 360.0 360.0-168.2 360.0 38.0 3.1 13.3