==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-MAY-06 2DPR . COMPND 2 MOLECULE: CONANTOKIN-T; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.E.CNUDDE,M.PROROK,Q.DAI,F.J.CASTELLINO,J.H.GEIGER . 42 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 78.6 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 . 1 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 76.2 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 0 0 0 0 0 0 0 0 0 0 2 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 1 A G 0 0 40 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.5 -11.9 10.3 -16.5 2 2 A E > + 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.009 360.0 41.8-114.8 -46.0 -12.1 11.6 -19.8 3 3 A X H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.830 113.7 52.0 -74.3 -31.8 -8.3 12.0 -19.8 4 4 A X H > S+ 0 0 178 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.897 109.1 51.4 -63.1 -36.3 -7.8 8.7 -18.0 5 5 A Y H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.941 111.7 48.2 -64.0 -47.0 -9.9 7.0 -20.8 6 6 A Q H X S+ 0 0 80 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 110.1 51.0 -64.2 -38.1 -7.6 8.8 -23.4 7 7 A X H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.874 109.6 50.4 -67.0 -35.1 -4.5 7.6 -21.6 8 8 A M H X S+ 0 0 77 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.944 110.0 50.3 -61.3 -47.4 -5.9 4.0 -21.7 9 9 A L H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.874 107.7 54.5 -59.4 -38.5 -6.5 4.4 -25.4 10 10 A X H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 107.5 48.9 -64.5 -40.5 -3.0 5.6 -25.8 11 11 A N H X S+ 0 0 98 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.934 111.2 50.2 -62.5 -40.6 -1.6 2.5 -24.1 12 12 A L H X S+ 0 0 49 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 111.2 50.1 -62.9 -39.8 -3.8 0.3 -26.3 13 13 A R H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 108.2 50.7 -64.5 -46.1 -2.5 2.2 -29.3 14 14 A X H X S+ 0 0 88 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.920 111.0 50.3 -62.2 -38.7 1.2 1.8 -28.3 15 15 A A H X S+ 0 0 45 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.907 110.1 48.8 -68.7 -37.5 0.7 -1.9 -27.9 16 16 A E H X S+ 0 0 13 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.884 106.6 57.2 -68.9 -35.9 -1.0 -2.3 -31.3 17 17 A V H X S+ 0 0 73 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.962 109.5 45.6 -56.8 -47.0 1.9 -0.3 -33.0 18 18 A K H < S+ 0 0 138 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.942 113.1 49.8 -64.2 -42.0 4.3 -2.9 -31.6 19 19 A K H < S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.943 109.4 50.2 -63.2 -43.1 2.1 -5.8 -32.7 20 20 A N H < 0 0 95 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.761 360.0 360.0 -69.0 -16.9 1.8 -4.4 -36.1 21 21 A A < 0 0 115 -4,-1.3 -3,-0.0 -3,-0.3 -4,-0.0 -0.347 360.0 360.0 -87.9 360.0 5.6 -4.1 -36.3 22 !* 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 23 1 B G > 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-160.8 -5.1 -8.2 -36.3 24 2 B E H > + 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 360.0 50.1 -62.7 -39.1 -5.8 -4.6 -37.1 25 3 B X H > S+ 0 0 148 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 108.9 52.6 -73.6 -23.7 -9.6 -5.1 -37.7 26 4 B X H > S+ 0 0 165 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.7 50.7 -71.9 -34.8 -9.9 -6.9 -34.3 27 5 B Y H X S+ 0 0 27 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 110.6 48.1 -63.0 -46.2 -8.1 -3.9 -32.8 28 6 B Q H X S+ 0 0 81 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.879 109.4 53.5 -62.3 -37.0 -10.6 -1.5 -34.5 29 7 B X H X S+ 0 0 103 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.882 107.4 51.0 -68.4 -32.1 -13.5 -3.7 -33.2 30 8 B M H X S+ 0 0 72 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.952 108.7 51.5 -65.0 -45.7 -12.2 -3.4 -29.7 31 9 B L H X S+ 0 0 43 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.878 108.9 51.2 -59.7 -39.1 -12.0 0.4 -30.1 32 10 B X H X S+ 0 0 85 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.900 108.2 51.2 -66.8 -38.9 -15.7 0.3 -31.3 33 11 B N H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 113.3 45.9 -60.6 -40.2 -16.7 -1.7 -28.3 34 12 B L H X S+ 0 0 45 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.907 110.5 52.8 -67.4 -41.4 -15.0 0.9 -26.1 35 13 B R H X S+ 0 0 113 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 109.4 49.5 -59.8 -44.7 -16.5 3.8 -28.0 36 14 B X H X S+ 0 0 106 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.936 109.8 51.3 -61.7 -43.8 -20.0 2.3 -27.5 37 15 B A H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 109.9 49.9 -60.0 -37.1 -19.3 1.9 -23.7 38 16 B E H X S+ 0 0 26 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.866 106.0 55.6 -71.9 -35.5 -18.2 5.5 -23.4 39 17 B V H < S+ 0 0 73 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.950 111.0 44.8 -60.1 -47.9 -21.3 6.7 -25.2 40 18 B K H >< S+ 0 0 167 -4,-2.2 3,-1.2 2,-0.2 -2,-0.2 0.906 111.8 52.6 -64.3 -41.8 -23.4 4.9 -22.7 41 19 B K H 3< S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.967 110.9 47.9 -53.5 -53.5 -21.2 6.2 -19.8 42 20 B N T 3< 0 0 105 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.474 360.0 360.0 -71.0 0.8 -21.7 9.8 -21.2 43 21 B A < 0 0 114 -3,-1.2 -3,-0.0 -4,-0.3 -4,-0.0 -0.731 360.0 360.0 -94.1 360.0 -25.5 9.2 -21.5