==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-JUL-12 4G1A . COMPND 2 MOLECULE: AQ-C16C19 PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.NI,M.A.KENNEDY,M.Y.OGAWA . 77 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 68.8 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 64.9 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+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 2 0 1 1 1 1 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 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 2 A I > 0 0 140 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -49.8 42.2 22.1 1.0 2 3 A A H > + 0 0 76 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.846 360.0 45.5 -56.1 -36.2 41.9 25.8 2.0 3 4 A A H > S+ 0 0 50 2,-0.2 4,-3.4 1,-0.2 -1,-0.3 0.875 109.8 53.4 -71.9 -41.2 38.2 25.2 2.0 4 5 A L H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.890 107.2 52.1 -62.7 -39.6 38.4 22.0 3.9 5 6 A E H X S+ 0 0 125 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.903 113.0 45.3 -55.9 -44.3 40.5 23.8 6.6 6 7 A Q H X S+ 0 0 145 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.915 110.1 52.7 -71.2 -44.0 37.7 26.4 6.8 7 8 A K H X S+ 0 0 78 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.877 109.5 50.3 -60.1 -37.0 34.8 23.9 6.9 8 9 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.908 109.3 49.9 -67.8 -41.7 36.5 22.1 9.8 9 10 A A H X S+ 0 0 32 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.865 107.8 56.8 -58.9 -37.3 36.9 25.3 11.7 10 11 A A H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.853 108.6 44.2 -64.6 -38.1 33.3 25.9 11.1 11 12 A L H X S+ 0 0 14 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.833 109.0 56.8 -80.5 -28.7 32.2 22.6 12.7 12 13 A E H < S+ 0 0 73 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.882 112.9 42.0 -68.5 -40.4 34.5 23.1 15.6 13 14 A Q H >< S+ 0 0 146 -4,-2.1 3,-1.7 1,-0.2 4,-0.2 0.945 111.5 55.6 -68.0 -50.1 32.8 26.4 16.3 14 15 A K H 3< S+ 0 0 131 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.872 119.9 29.9 -46.0 -48.7 29.3 25.1 15.7 15 16 A C T 3< S+ 0 0 6 -4,-2.2 4,-0.5 1,-0.2 -1,-0.3 -0.039 80.9 125.3-110.6 28.8 29.6 22.3 18.2 16 17 A A S < S+ 0 0 58 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.821 90.6 16.7 -52.6 -44.0 31.9 23.9 20.7 17 18 A A S > S+ 0 0 43 -3,-0.3 4,-2.2 -4,-0.2 5,-0.2 0.233 95.3 113.0-117.8 4.3 29.7 23.4 23.8 18 19 A C H > S+ 0 0 2 -3,-0.3 4,-2.3 1,-0.2 3,-0.2 0.913 77.7 42.4 -47.2 -59.9 27.4 20.8 22.3 19 20 A E H > S+ 0 0 54 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.863 115.1 52.3 -61.6 -31.4 28.4 17.8 24.5 20 21 A Q H > S+ 0 0 152 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.847 109.8 47.3 -76.5 -35.0 28.4 20.0 27.6 21 22 A K H X S+ 0 0 86 -4,-2.2 4,-2.5 -3,-0.2 -2,-0.2 0.894 112.1 50.2 -74.0 -39.6 24.9 21.3 27.0 22 23 A I H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.947 111.0 49.1 -60.6 -49.2 23.6 17.9 26.3 23 24 A A H < S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.3 49.0 -57.0 -42.8 25.2 16.5 29.6 24 25 A A H < S+ 0 0 85 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.931 109.5 50.8 -67.3 -41.9 23.7 19.4 31.5 25 26 A L H < 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 360.0 360.0 -62.1 -37.0 20.2 18.9 30.0 26 27 A E < 0 0 110 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.793 360.0 360.0 -70.3 360.0 20.5 15.3 30.9 27 !* 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 28 4 B A > 0 0 93 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 152.2 46.7 17.2 9.9 29 5 B L H > + 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.819 360.0 65.3 -67.8 -38.5 43.2 17.8 8.8 30 6 B E H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.854 104.1 47.9 -54.1 -37.5 42.5 14.0 9.1 31 7 B Q H > S+ 0 0 135 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.811 108.6 52.0 -77.6 -30.7 43.1 14.3 12.8 32 8 B K H X S+ 0 0 103 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.884 111.2 47.2 -69.8 -42.2 40.9 17.3 13.3 33 9 B I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 110.5 52.8 -63.7 -48.2 38.0 15.6 11.5 34 10 B A H X S+ 0 0 29 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.890 106.3 54.4 -51.1 -42.2 38.6 12.4 13.6 35 11 B A H X S+ 0 0 51 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.902 110.8 44.3 -63.7 -40.7 38.4 14.6 16.8 36 12 B L H X S+ 0 0 18 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.876 110.1 56.7 -70.2 -36.1 35.0 16.0 15.9 37 13 B E H < S+ 0 0 67 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.864 113.4 40.1 -62.9 -39.2 33.8 12.5 14.9 38 14 B Q H >< S+ 0 0 135 -4,-2.2 3,-2.0 -5,-0.2 4,-0.2 0.960 113.8 54.2 -73.8 -47.8 34.7 11.3 18.3 39 15 B K H 3< S+ 0 0 81 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.870 118.6 33.2 -52.9 -45.9 33.4 14.4 20.0 40 16 B C T 3< S+ 0 0 4 -4,-3.1 4,-0.4 1,-0.2 -1,-0.3 -0.059 81.9 126.0-104.7 28.6 29.9 14.2 18.4 41 17 B A S < S+ 0 0 55 -3,-2.0 -1,-0.2 1,-0.2 4,-0.1 0.843 88.2 10.6 -50.9 -44.8 29.8 10.4 18.3 42 18 B A S > S+ 0 0 45 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.214 93.2 107.6-126.1 17.5 26.4 10.0 20.1 43 19 B C H > S+ 0 0 4 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.894 79.3 52.5 -70.0 -37.3 24.9 13.5 20.3 44 20 B E H > S+ 0 0 51 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.970 113.9 46.0 -55.2 -49.7 22.2 13.0 17.7 45 21 B Q H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 113.5 48.3 -54.7 -46.0 21.1 9.9 19.7 46 22 B K H X S+ 0 0 83 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.883 112.5 47.4 -67.0 -42.8 21.3 11.7 23.0 47 23 B I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.894 112.3 51.1 -58.9 -46.0 19.3 14.7 21.8 48 24 B A H < S+ 0 0 55 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.890 110.1 49.9 -59.3 -42.4 16.7 12.3 20.3 49 25 B A H < S+ 0 0 83 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.937 110.3 49.1 -61.6 -50.3 16.5 10.5 23.6 50 26 B L H < 0 0 58 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 360.0 360.0 -53.8 -43.3 16.0 13.9 25.5 51 27 B E < 0 0 122 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.921 360.0 360.0 -63.4 360.0 13.3 14.7 23.0 52 !* 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 53 3 C A > 0 0 102 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -85.4 38.9 13.1 -0.6 54 4 C A H > + 0 0 66 2,-0.2 4,-2.3 1,-0.1 3,-0.2 0.856 360.0 57.5 -58.5 -41.3 37.8 10.5 1.9 55 5 C L H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 99.7 51.2 -60.1 -48.6 38.3 13.6 4.0 56 6 C E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 112.5 48.7 -55.3 -38.0 35.8 15.8 2.1 57 7 C Q H X S+ 0 0 118 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.889 108.2 51.5 -71.7 -43.1 33.2 13.1 2.5 58 8 C K H X S+ 0 0 100 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.843 112.2 49.5 -65.6 -34.0 33.8 12.6 6.2 59 9 C I H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.915 110.6 48.2 -67.3 -43.7 33.4 16.4 6.5 60 10 C A H X S+ 0 0 20 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.898 109.3 53.7 -62.5 -38.7 30.1 16.4 4.6 61 11 C A H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.807 110.5 47.2 -66.3 -33.7 28.7 13.5 6.7 62 12 C L H X S+ 0 0 9 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.878 108.8 54.1 -75.7 -40.1 29.5 15.5 9.8 63 13 C E H < S+ 0 0 74 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.879 114.7 41.4 -58.7 -44.5 27.9 18.7 8.4 64 14 C Q H >< S+ 0 0 132 -4,-2.3 3,-2.2 2,-0.2 4,-0.3 0.966 112.6 53.2 -68.4 -52.8 24.7 16.7 7.7 65 15 C K H 3< S+ 0 0 90 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.837 119.2 34.3 -49.9 -47.1 24.7 14.7 11.0 66 16 C C T 3< S+ 0 0 11 -4,-2.5 4,-0.4 1,-0.2 -1,-0.3 0.025 83.0 118.6-101.7 22.5 24.9 17.9 13.1 67 17 C A S < S+ 0 0 68 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.883 92.3 19.4 -47.2 -46.9 22.8 20.0 10.8 68 18 C A S > S+ 0 0 43 -3,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.278 94.1 111.3-115.7 7.3 20.1 20.7 13.4 69 19 C C H > S+ 0 0 2 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.905 80.7 40.6 -47.3 -62.6 22.2 19.8 16.5 70 20 C E H > S+ 0 0 65 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.816 114.1 52.7 -62.9 -35.4 22.4 23.3 18.0 71 21 C Q H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.855 110.8 47.1 -74.4 -33.1 18.8 24.3 17.2 72 22 C K H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.840 110.0 51.6 -73.6 -39.9 17.4 21.2 18.9 73 23 C I H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.941 112.1 48.3 -57.6 -48.9 19.5 21.6 22.0 74 24 C A H X S+ 0 0 28 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.897 109.8 51.2 -59.6 -42.1 18.3 25.3 22.2 75 25 C A H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.923 110.6 50.4 -60.2 -42.2 14.6 24.2 21.7 76 26 C L H < S+ 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.902 111.2 48.0 -62.0 -39.8 15.2 21.7 24.5 77 27 C E H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 112.3 48.3 -65.0 -47.4 16.6 24.4 26.7 78 28 C Q H < 0 0 166 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.811 360.0 360.0 -62.8 -35.4 13.7 26.8 25.9 79 29 C K < 0 0 203 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.642 360.0 360.0-101.2 360.0 11.0 24.1 26.6