==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSPORT PROTEIN 29-FEB-12 2LQC . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.LIU . 101 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 61.4 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 3.0 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 1 1 0 0 1 0 0 0 1 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 77 0, 0.0 76,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -4.8 -4.2 -11.8 -10.2 2 2 A D + 0 0 130 2,-0.1 2,-0.3 72,-0.0 75,-0.1 0.885 360.0 70.6 -63.2 -40.5 -7.3 -13.5 -8.9 3 3 A Q S S- 0 0 170 1,-0.1 5,-0.1 5,-0.0 2,-0.0 -0.636 87.7-124.3 -82.8 134.5 -5.5 -16.7 -8.3 4 4 A L + 0 0 126 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.329 40.8 151.5 -74.3 159.3 -2.9 -16.8 -5.5 5 5 A T > - 0 0 84 1,-0.1 4,-1.7 -4,-0.1 5,-0.2 -0.974 58.9 -79.1-173.0 173.3 0.7 -17.8 -6.0 6 6 A E H > S+ 0 0 141 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.945 125.1 54.3 -50.8 -55.1 4.3 -17.3 -4.8 7 7 A E H > S+ 0 0 108 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.924 104.5 55.8 -44.5 -56.5 4.6 -13.9 -6.6 8 8 A Q H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.3 41.8 -45.5 -59.6 1.4 -12.6 -4.8 9 9 A I H X S+ 0 0 63 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.949 117.4 47.6 -57.2 -49.0 2.6 -13.2 -1.3 10 10 A A H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.873 109.6 56.1 -58.4 -36.5 6.1 -12.0 -2.1 11 11 A E H X S+ 0 0 27 -4,-3.4 4,-2.6 -5,-0.3 5,-0.2 0.917 106.5 48.2 -62.4 -45.4 4.5 -9.0 -3.8 12 12 A F H X S+ 0 0 35 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.917 112.4 49.2 -62.0 -44.2 2.5 -8.0 -0.6 13 13 A K H X S+ 0 0 116 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.937 111.6 49.1 -61.7 -46.9 5.7 -8.3 1.5 14 14 A E H X S+ 0 0 95 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.964 114.2 44.1 -56.9 -55.7 7.7 -6.2 -0.9 15 15 A A H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 114.4 51.4 -56.2 -44.3 5.1 -3.4 -1.1 16 16 A F H X S+ 0 0 30 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.941 107.8 50.9 -57.8 -50.8 4.6 -3.6 2.7 17 17 A S H < S+ 0 0 60 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.0 54.6 -57.0 -36.0 8.3 -3.3 3.3 18 18 A L H < S+ 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.913 111.4 43.0 -65.8 -43.4 8.4 -0.2 1.1 19 19 A F H < S+ 0 0 0 -4,-2.0 2,-2.6 1,-0.2 3,-0.2 0.949 94.2 79.8 -69.0 -50.4 5.7 1.6 3.0 20 20 A D < + 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 7,-0.1 -0.317 56.3 163.1 -60.1 78.2 6.9 0.8 6.5 21 21 A K S S+ 0 0 121 -2,-2.6 -1,-0.2 1,-0.2 6,-0.1 0.963 74.6 47.6 -64.3 -53.3 9.6 3.5 6.4 22 22 A D S S- 0 0 87 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.720 105.2-137.4 -61.8 -17.2 10.1 3.6 10.1 23 23 A G + 0 0 53 3,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.892 58.3 139.0 62.6 41.6 10.3 -0.2 9.8 24 24 A D S S- 0 0 89 2,-0.5 3,-0.1 0, 0.0 -1,-0.1 0.502 79.6-100.5 -92.7 -5.2 8.2 -0.8 12.9 25 25 A G S S+ 0 0 19 1,-0.3 40,-0.3 -9,-0.1 2,-0.3 0.408 98.0 75.7 100.5 1.0 6.3 -3.7 11.2 26 26 A T S S- 0 0 25 38,-0.1 -2,-0.5 -9,-0.1 2,-0.4 -0.945 74.4-123.0-139.9 160.7 3.3 -1.5 10.5 27 27 A I E -A 63 0A 0 36,-1.8 36,-2.2 -2,-0.3 2,-0.3 -0.848 26.5-166.5-107.7 142.0 2.3 1.2 8.0 28 28 A T E > -A 62 0A 35 -2,-0.4 4,-2.8 34,-0.2 5,-0.4 -0.824 35.5-108.5-125.3 163.9 1.1 4.7 9.1 29 29 A T H > S+ 0 0 17 32,-0.7 4,-3.1 -2,-0.3 5,-0.2 0.909 122.0 45.6 -55.4 -45.3 -0.6 7.6 7.5 30 30 A K H > S+ 0 0 132 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.903 111.8 52.3 -66.3 -42.1 2.6 9.6 7.7 31 31 A E H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.980 119.1 34.0 -58.0 -58.7 4.7 6.7 6.4 32 32 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.936 114.2 59.0 -62.3 -48.2 2.5 6.2 3.3 33 33 A G H X S+ 0 0 5 -4,-3.1 4,-2.4 -5,-0.4 -1,-0.2 0.899 106.1 49.9 -48.3 -44.8 1.7 9.8 2.9 34 34 A T H X S+ 0 0 86 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.937 110.9 48.3 -60.6 -47.2 5.4 10.5 2.6 35 35 A V H X S+ 0 0 15 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.901 111.7 50.2 -60.4 -41.2 5.8 7.8 -0.0 36 36 A M H <>S+ 0 0 3 -4,-3.2 5,-1.9 2,-0.2 4,-0.4 0.883 115.9 42.2 -64.9 -38.7 2.8 9.1 -1.9 37 37 A R H ><5S+ 0 0 181 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.948 110.3 54.0 -73.4 -50.7 4.2 12.7 -1.9 38 38 A S H 3<5S+ 0 0 106 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.7 56.4 -53.3 -32.3 7.8 11.7 -2.7 39 39 A L T 3<5S- 0 0 53 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.701 116.6-118.0 -74.3 -17.8 6.5 9.9 -5.7 40 40 A G T < 5S+ 0 0 70 -3,-2.1 -3,-0.2 -4,-0.4 2,-0.2 0.652 71.5 127.7 89.3 18.1 4.9 13.2 -6.9 41 41 A Q S > + 0 0 53 1,-0.2 4,-1.4 2,-0.1 3,-0.8 -0.268 17.1 168.5 -60.5 71.3 -3.8 14.1 -0.1 45 45 A E H 3> S+ 0 0 61 -2,-3.5 4,-1.8 1,-0.3 -1,-0.2 0.657 72.6 64.1 -62.1 -11.7 -2.6 12.8 3.2 46 46 A A H 3> S+ 0 0 65 2,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.902 96.5 52.4 -78.1 -43.0 -6.0 13.7 4.4 47 47 A E H <> S+ 0 0 80 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.920 113.4 45.0 -59.0 -45.2 -7.8 11.2 2.2 48 48 A L H X S+ 0 0 1 -4,-1.4 4,-3.8 2,-0.2 5,-0.4 0.959 107.4 56.6 -63.8 -52.6 -5.6 8.4 3.4 49 49 A Q H X S+ 0 0 70 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.862 113.1 43.5 -47.4 -38.4 -5.9 9.4 7.1 50 50 A D H < S+ 0 0 90 -4,-1.9 4,-0.4 2,-0.2 -1,-0.3 0.888 115.1 47.5 -75.2 -41.1 -9.6 9.0 6.6 51 51 A M H >X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 3,-1.1 0.921 113.7 47.0 -66.8 -44.3 -9.4 5.7 4.7 52 52 A I H 3X S+ 0 0 0 -4,-3.8 4,-2.8 1,-0.3 9,-0.2 0.914 102.2 64.0 -63.4 -43.1 -6.9 4.2 7.1 53 53 A N H 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.708 110.5 41.9 -53.6 -19.6 -9.1 5.3 10.0 54 54 A E H <4 S+ 0 0 141 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.911 116.7 39.9 -92.8 -60.4 -11.7 2.9 8.5 55 55 A V H < S+ 0 0 57 -4,-2.0 2,-0.2 6,-0.0 -2,-0.2 0.733 85.5 118.3 -63.5 -21.7 -9.8 -0.2 7.4 56 56 A D < - 0 0 26 -4,-2.8 7,-0.1 -5,-0.3 -4,-0.0 -0.279 49.5-165.9 -51.4 109.5 -7.8 0.0 10.6 57 57 A A S S+ 0 0 71 5,-0.3 -1,-0.2 -2,-0.2 6,-0.1 0.942 87.9 31.3 -65.7 -50.7 -8.6 -3.3 12.4 58 58 A D S S- 0 0 134 4,-0.3 -1,-0.2 1,-0.0 -2,-0.1 0.673 105.2-125.0 -81.7 -18.7 -7.2 -2.3 15.8 59 59 A G S S+ 0 0 49 3,-0.2 -2,-0.1 -7,-0.1 -3,-0.1 0.707 73.4 129.6 80.2 19.7 -8.0 1.4 15.3 60 60 A N S S- 0 0 123 2,-0.3 3,-0.1 1,-0.0 -7,-0.1 0.559 81.5-112.1 -81.1 -9.9 -4.4 2.2 16.0 61 61 A G S S+ 0 0 14 1,-0.3 -32,-0.7 -9,-0.2 2,-0.3 0.673 84.8 103.2 85.0 19.6 -4.3 4.2 12.9 62 62 A T E -A 28 0A 15 -34,-0.2 2,-0.5 -10,-0.1 -1,-0.3 -0.932 68.1-125.8-132.8 156.7 -1.9 1.8 11.2 63 63 A I E -A 27 0A 0 -36,-2.2 -36,-1.8 -2,-0.3 -7,-0.1 -0.903 25.6-148.6-107.0 122.3 -2.3 -1.0 8.5 64 64 A D > - 0 0 28 -2,-0.5 4,-1.9 -38,-0.2 5,-0.2 -0.280 31.6 -96.1 -82.0 171.0 -1.0 -4.4 9.4 65 65 A F H > S+ 0 0 85 -40,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 121.0 47.7 -52.8 -52.7 0.5 -7.0 7.0 66 66 A P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 108.5 53.6 -58.2 -48.6 -2.8 -9.0 6.5 67 67 A E H > S+ 0 0 27 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.937 111.3 45.0 -53.5 -51.9 -4.9 -5.9 5.8 68 68 A F H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.941 111.8 52.3 -58.3 -47.8 -2.6 -4.7 3.1 69 69 A L H < S+ 0 0 52 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.3 0.774 118.6 39.8 -59.1 -27.2 -2.4 -8.2 1.6 70 70 A T H >X S+ 0 0 74 -4,-1.8 3,-2.6 -3,-0.4 4,-0.5 0.948 110.6 50.0 -86.2 -66.4 -6.2 -8.2 1.6 71 71 A M H 3< S+ 0 0 21 -4,-3.0 4,-0.3 1,-0.3 3,-0.3 0.703 113.0 53.6 -48.6 -19.0 -7.3 -4.8 0.5 72 72 A M T 3< S+ 0 0 22 -4,-1.4 -1,-0.3 -5,-0.4 3,-0.2 0.729 104.8 52.5 -87.4 -25.2 -4.9 -5.2 -2.4 73 73 A A T <4 S+ 0 0 57 -3,-2.6 -2,-0.2 -4,-0.3 -1,-0.2 0.304 81.2 99.1 -91.9 7.2 -6.4 -8.5 -3.5 74 74 A R S < S- 0 0 178 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.979 99.4 -28.6 -57.8 -60.3 -9.9 -7.1 -3.6 75 75 A K S S+ 0 0 172 -4,-0.3 0, 0.0 -3,-0.2 0, 0.0 -0.288 78.4 115.5-131.7-143.7 -9.9 -6.5 -7.4 76 76 A M 0 0 115 -2,-0.1 -1,-0.1 -74,-0.0 -4,-0.0 0.998 360.0 360.0 68.1 69.0 -7.5 -5.8 -10.2 77 77 A K 0 0 174 -76,-0.1 0, 0.0 -75,-0.1 0, 0.0 0.080 360.0 360.0 43.8 360.0 -7.8 -9.0 -12.3 78 !* 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 79 45 B G 0 0 129 0, 0.0 3,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-117.3 -17.8 7.3 -3.7 80 46 B T + 0 0 152 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.337 360.0 109.0 -81.4 166.7 -14.9 5.1 -4.7 81 47 B G > + 0 0 31 -2,-0.1 4,-2.2 0, 0.0 5,-0.2 0.083 56.0 90.4 153.5 -24.1 -11.2 6.2 -4.9 82 48 B A H > S+ 0 0 27 -3,-0.2 4,-2.0 2,-0.2 5,-0.1 0.921 91.3 45.6 -63.1 -47.2 -9.6 4.4 -2.0 83 49 B A H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 112.2 52.1 -65.2 -39.5 -8.6 1.3 -4.0 84 50 B L H > S+ 0 0 124 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.910 108.9 50.1 -62.8 -43.3 -7.3 3.5 -6.8 85 51 B S H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.4 47.6 -61.8 -42.8 -5.1 5.4 -4.4 86 52 B W H X S+ 0 0 15 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.933 116.5 42.6 -64.3 -47.8 -3.8 2.2 -2.9 87 53 B Q H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.888 112.7 53.5 -66.9 -40.3 -3.0 0.7 -6.4 88 54 B A H X S+ 0 0 22 -4,-3.2 4,-2.3 -5,-0.2 5,-0.2 0.900 109.4 48.4 -62.3 -41.4 -1.6 4.0 -7.8 89 55 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.900 112.0 49.3 -65.9 -41.2 0.8 4.3 -4.9 90 56 B I H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.910 111.4 49.0 -64.0 -43.9 2.0 0.7 -5.3 91 57 B D H X S+ 0 0 84 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.926 116.0 42.4 -62.6 -45.6 2.5 1.1 -9.0 92 58 B A H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.881 112.2 55.4 -68.7 -38.2 4.5 4.3 -8.5 93 59 B A H X S+ 0 0 11 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.943 111.2 43.3 -59.5 -48.7 6.4 2.8 -5.6 94 60 B R H X S+ 0 0 93 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.865 107.3 61.5 -65.4 -36.6 7.5 -0.2 -7.7 95 61 B Q H X S+ 0 0 112 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.930 107.4 44.1 -55.9 -45.7 8.3 2.1 -10.6 96 62 B A H X>S+ 0 0 32 -4,-2.1 4,-2.7 1,-0.2 5,-0.9 0.872 111.2 55.4 -66.4 -37.2 10.9 3.9 -8.4 97 63 B K H <5S+ 0 0 141 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.928 108.8 46.2 -61.3 -46.9 12.1 0.5 -7.2 98 64 B L H <5S+ 0 0 140 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.1 46.6 -63.3 -42.8 12.8 -0.7 -10.7 99 65 B M H <5S- 0 0 138 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.875 98.4-141.9 -67.7 -37.3 14.5 2.5 -11.7 100 66 B G T <5 + 0 0 61 -4,-2.7 -3,-0.2 1,-0.2 -4,-0.1 0.711 41.5 159.3 81.9 21.5 16.6 2.5 -8.5 101 67 B S < 0 0 72 -5,-0.9 -1,-0.2 1,-0.1 -2,-0.0 -0.312 360.0 360.0 -74.5 161.4 16.3 6.3 -8.1 102 68 B A 0 0 172 -2,-0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.397 360.0 360.0 58.0 360.0 16.9 8.0 -4.7