==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 30-MAR-04 1SW8 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,C.DEL BIANCO,I.GELIS,N.KATSAROS,C.LUCHINAT, . 79 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 72.2 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 3.8 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 . 2 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 53.2 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 1 1 0 0 1 1 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 1 A A 0 0 88 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -8.4 -19.1 6.6 2.7 2 2 A D + 0 0 168 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.159 360.0 29.9 88.4 -39.2 -20.4 3.1 2.0 3 3 A Q S S- 0 0 116 -2,-0.3 -1,-0.1 0, 0.0 5,-0.1 -0.078 110.3-109.8-140.7 33.2 -16.8 1.8 2.4 4 4 A L S > S+ 0 0 66 1,-0.2 4,-1.7 3,-0.1 5,-0.1 0.766 79.2 136.5 40.4 28.4 -15.4 4.3 4.9 5 5 A T H > + 0 0 44 2,-0.2 4,-3.8 3,-0.2 5,-0.2 0.796 62.6 56.3 -71.7 -29.8 -13.4 5.3 1.8 6 6 A E H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.984 110.2 40.4 -64.8 -60.8 -14.0 8.9 2.6 7 7 A E H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.853 121.8 46.5 -56.2 -37.0 -12.5 8.9 6.1 8 8 A Q H X S+ 0 0 42 -4,-1.7 4,-4.4 2,-0.2 3,-0.5 0.978 108.3 51.5 -69.3 -58.9 -9.8 6.6 4.7 9 9 A I H X S+ 0 0 54 -4,-3.8 4,-2.5 1,-0.3 -2,-0.2 0.862 104.5 62.2 -45.1 -41.7 -9.0 8.6 1.6 10 10 A A H X S+ 0 0 61 -4,-2.5 4,-1.2 2,-0.2 -1,-0.3 0.949 116.5 27.6 -49.2 -58.8 -8.7 11.6 3.9 11 11 A E H X S+ 0 0 143 -4,-1.4 4,-4.2 -3,-0.5 5,-0.3 0.914 116.8 60.8 -70.4 -45.2 -5.8 10.0 5.7 12 12 A F H X S+ 0 0 8 -4,-4.4 4,-3.0 1,-0.2 -1,-0.2 0.774 100.9 58.7 -52.4 -28.1 -4.7 8.0 2.7 13 13 A K H X S+ 0 0 131 -4,-2.5 4,-0.6 -5,-0.4 -1,-0.2 0.967 115.2 31.2 -66.2 -55.2 -4.2 11.4 1.0 14 14 A E H X S+ 0 0 165 -4,-1.2 4,-0.5 -3,-0.2 3,-0.5 0.841 122.5 51.7 -71.2 -35.0 -1.7 12.6 3.6 15 15 A A H >X S+ 0 0 21 -4,-4.2 3,-2.3 1,-0.2 4,-1.7 0.927 93.8 71.0 -66.5 -46.6 -0.5 9.1 4.2 16 16 A F H 3X S+ 0 0 45 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.805 89.0 65.9 -37.6 -39.2 0.1 8.5 0.5 17 17 A S H 3< S+ 0 0 79 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.914 109.9 34.8 -51.3 -48.6 2.9 11.0 0.8 18 18 A L H << S+ 0 0 120 -3,-2.3 -2,-0.2 -4,-0.5 -1,-0.2 0.981 114.2 55.1 -70.1 -60.0 4.7 8.5 3.0 19 19 A F H < S+ 0 0 22 -4,-1.7 2,-1.3 1,-0.2 3,-0.2 0.801 99.2 72.0 -42.2 -35.2 3.6 5.3 1.3 20 20 A D < + 0 0 17 -4,-2.8 -1,-0.2 -5,-0.4 7,-0.1 -0.707 57.9 159.3 -89.0 90.0 5.0 6.9 -1.8 21 21 A K S S+ 0 0 82 -2,-1.3 -1,-0.2 7,-0.1 6,-0.1 0.973 77.4 39.8 -73.7 -58.9 8.7 6.6 -1.2 22 22 A D S S- 0 0 82 4,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.929 101.6-137.7 -55.4 -49.0 9.9 7.0 -4.7 23 23 A G + 0 0 55 3,-0.4 4,-0.1 -4,-0.1 -1,-0.1 0.852 65.7 122.6 89.7 42.5 7.3 9.7 -5.3 24 24 A D S S- 0 0 96 2,-0.6 3,-0.1 0, 0.0 -3,-0.0 0.179 89.4-102.6-115.8 11.7 6.1 8.6 -8.8 25 25 A G S S+ 0 0 33 1,-0.2 40,-0.5 -9,-0.1 2,-0.4 0.239 98.2 97.9 84.8 -12.9 2.5 8.1 -7.7 26 26 A T E -A 64 0A 36 38,-0.1 2,-0.8 39,-0.1 -2,-0.6 -0.875 69.2-139.6-111.5 142.3 3.1 4.4 -7.6 27 27 A I E -A 63 0A 4 36,-0.9 36,-2.2 -2,-0.4 2,-0.1 -0.868 21.6-155.2-103.6 103.7 3.9 2.4 -4.5 28 28 A T > - 0 0 53 -2,-0.8 4,-2.1 34,-0.2 3,-0.4 -0.420 34.9-100.9 -76.4 152.1 6.5 -0.2 -5.3 29 29 A T H > S+ 0 0 26 32,-0.4 4,-2.5 1,-0.3 5,-0.2 0.817 129.0 50.7 -37.7 -40.4 6.8 -3.4 -3.3 30 30 A K H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.952 103.5 55.8 -65.0 -51.6 9.6 -1.6 -1.5 31 31 A E H > S+ 0 0 7 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.824 111.1 47.8 -49.4 -34.8 7.6 1.5 -0.9 32 32 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.969 113.4 43.4 -71.0 -56.6 5.2 -0.8 0.9 33 33 A G H X S+ 0 0 8 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.715 109.6 63.5 -61.4 -21.0 7.7 -2.7 2.9 34 34 A T H X S+ 0 0 58 -4,-2.8 4,-1.4 2,-0.2 3,-0.3 0.959 104.0 42.5 -67.9 -53.7 9.3 0.7 3.6 35 35 A V H >X S+ 0 0 15 -4,-1.6 3,-0.9 1,-0.2 4,-0.9 0.952 108.2 60.1 -57.1 -53.5 6.3 2.1 5.5 36 36 A M H ><>S+ 0 0 47 -4,-2.0 3,-1.4 1,-0.3 5,-0.6 0.849 102.5 54.3 -41.8 -43.9 5.8 -1.1 7.4 37 37 A R H ><5S+ 0 0 150 -4,-1.3 3,-2.9 1,-0.3 -1,-0.3 0.908 96.8 62.9 -58.8 -44.9 9.3 -0.6 8.7 38 38 A S H <<5S+ 0 0 98 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.709 94.6 64.5 -53.4 -19.8 8.3 2.9 10.0 39 39 A L T <<5S- 0 0 126 -3,-1.4 2,-0.5 -4,-0.9 -1,-0.3 0.174 126.1-105.2 -89.2 16.4 5.9 0.9 12.1 40 40 A G T < 5S+ 0 0 65 -3,-2.9 -3,-0.2 1,-0.3 -2,-0.1 -0.196 90.0 114.3 88.8 -41.9 8.9 -0.6 13.8 41 41 A Q < - 0 0 136 -5,-0.6 -1,-0.3 -2,-0.5 -2,-0.0 0.172 58.1-147.5 -50.0 178.1 8.4 -3.9 12.0 42 42 A N + 0 0 109 -3,-0.1 -1,-0.1 -4,-0.1 -8,-0.1 -0.388 26.5 169.9-154.4 64.8 10.9 -5.1 9.5 43 43 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.212 30.3-116.9 -75.0 169.1 9.1 -7.1 6.7 44 44 A T > - 0 0 80 1,-0.1 4,-2.1 -2,-0.0 3,-0.3 -0.877 14.0-125.7-112.3 143.2 10.7 -8.2 3.5 45 45 A E H > S+ 0 0 103 -2,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.716 110.4 66.4 -54.9 -20.7 9.8 -7.2 0.0 46 46 A A H >> S+ 0 0 60 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.985 103.7 39.0 -64.4 -60.7 9.5 -10.9 -0.6 47 47 A E H >> S+ 0 0 152 -3,-0.3 4,-0.8 1,-0.3 3,-0.7 0.866 118.4 50.3 -57.2 -38.6 6.5 -11.4 1.7 48 48 A L H 3X S+ 0 0 18 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.752 96.7 71.6 -70.8 -24.7 5.1 -8.1 0.5 49 49 A Q H -A 26 0A 27 -38,-0.2 4,-3.6 -2,-0.2 5,-0.5 -0.954 47.6 -82.6-166.9 176.8 -1.2 2.4 -6.2 65 65 A F H > S+ 0 0 58 -40,-0.5 4,-1.6 -2,-0.3 -1,-0.1 0.933 131.7 33.3 -56.8 -50.8 -3.6 4.9 -4.6 66 66 A P H > S+ 0 0 85 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.822 122.1 50.7 -75.0 -33.4 -6.7 3.1 -5.7 67 67 A E H >> S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 3,-1.0 0.983 112.2 43.2 -66.9 -60.5 -4.9 -0.3 -5.4 68 68 A F H 3X S+ 0 0 7 -4,-3.6 4,-2.5 1,-0.3 5,-0.3 0.894 104.7 65.8 -51.8 -45.6 -3.6 0.1 -1.9 69 69 A L H 3X S+ 0 0 35 -4,-1.6 4,-2.5 -5,-0.5 -1,-0.3 0.876 104.0 46.7 -43.6 -45.5 -7.0 1.6 -0.8 70 70 A T H X S+ 0 0 20 -4,-2.5 4,-1.1 -5,-0.3 3,-0.6 0.958 116.3 43.6 -51.7 -58.9 -10.0 -1.7 3.2 74 74 A R H 3X S+ 0 0 156 -4,-4.0 4,-2.3 1,-0.2 -1,-0.3 0.715 102.9 73.9 -60.1 -20.6 -9.9 -5.4 2.5 75 75 A K H 3X S+ 0 0 92 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.967 98.5 41.4 -56.6 -57.6 -7.4 -5.6 5.3 76 76 A M H << S+ 0 0 106 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.772 109.2 64.3 -61.3 -27.0 -10.0 -5.0 8.0 77 77 A K H < S+ 0 0 134 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.966 102.1 46.2 -60.6 -55.5 -12.3 -7.4 6.0 78 78 A D H < 0 0 145 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.958 360.0 360.0 -50.7 -60.0 -10.0 -10.3 6.5 79 79 A T < 0 0 143 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.713 360.0 360.0 -56.4 360.0 -9.6 -9.6 10.2