==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-NOV-03 1V50 . COMPND 2 MOLECULE: CALGIZZARIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.KOUNO,M.MIZUGUCHI,M.SAKAGUCHI,E.MAKINO,N.HUH,K.KAWANO . 17 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 64.7 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 . 2 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 41.2 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 1 0 0 0 0 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 1 A K 0 0 247 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.4 -14.9 3.1 -4.4 2 2 A I - 0 0 153 1,-0.2 2,-2.8 2,-0.1 0, 0.0 0.763 360.0-164.0 -70.2 -23.2 -13.5 1.9 -1.0 3 3 A S - 0 0 116 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.329 11.6-150.8 71.2 -63.1 -10.4 4.1 -1.5 4 4 A S - 0 0 65 -2,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.960 7.6-153.6 59.2 89.9 -8.4 2.2 1.2 5 5 A P + 0 0 107 0, 0.0 2,-1.6 0, 0.0 -1,-0.2 0.095 51.3 131.2 -80.0 24.7 -5.9 4.8 2.7 6 6 A T > + 0 0 56 1,-0.2 3,-0.8 -3,-0.1 4,-0.4 -0.575 24.4 169.4 -80.9 87.6 -3.5 2.0 3.6 7 7 A E T >> + 0 0 142 -2,-1.6 4,-2.3 1,-0.2 3,-0.9 0.677 63.3 81.9 -73.1 -14.0 -0.2 3.4 2.2 8 8 A X H 3> S+ 0 0 170 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.882 86.2 56.3 -59.7 -35.6 1.8 0.7 4.1 9 9 A E H <> S+ 0 0 91 -3,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.798 110.2 46.1 -67.7 -24.3 1.0 -1.8 1.2 10 10 A R H <> S+ 0 0 170 -3,-0.9 4,-1.8 -4,-0.4 -2,-0.2 0.904 115.7 42.6 -83.9 -43.8 2.6 0.7 -1.3 11 11 A C H X S+ 0 0 77 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.912 115.0 50.5 -69.8 -40.1 5.7 1.4 0.8 12 12 A I H X S+ 0 0 87 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.943 113.4 45.2 -63.8 -44.2 6.2 -2.2 1.7 13 13 A E H X S+ 0 0 114 -4,-1.0 4,-2.9 -5,-0.3 -1,-0.2 0.857 105.9 61.7 -68.2 -31.6 5.9 -3.3 -1.9 14 14 A S H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.910 110.0 40.6 -61.6 -37.8 8.3 -0.4 -3.0 15 15 A L H < S+ 0 0 134 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.883 113.3 54.4 -76.9 -37.1 11.0 -2.0 -0.8 16 16 A I H < 0 0 112 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.920 360.0 360.0 -62.7 -42.3 10.0 -5.6 -2.0 17 17 A A < 0 0 137 -4,-2.9 0, 0.0 -5,-0.1 0, 0.0 -0.592 360.0 360.0 -75.3 360.0 10.4 -4.5 -5.7