==== 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 1V4Z . 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) . 1882.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 58.8 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 1 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 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 -11.7 3.3 -2.2 2 2 A I + 0 0 134 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.968 360.0 170.6 51.5 58.8 -9.3 1.3 -0.0 3 3 A S + 0 0 110 1,-0.1 -1,-0.1 2,-0.0 3,-0.0 0.947 62.0 14.5 -66.3 -48.4 -10.7 -2.1 -1.2 4 4 A S >> - 0 0 36 1,-0.1 4,-0.7 0, 0.0 3,-0.6 -0.931 67.2-127.5-130.3 156.0 -8.0 -4.3 0.4 5 5 A P H 3> S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.769 103.4 72.7 -70.2 -26.4 -5.3 -3.8 3.0 6 6 A T H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.878 91.9 57.7 -57.9 -35.0 -2.6 -5.2 0.6 7 7 A E H <> S+ 0 0 115 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.937 106.3 47.8 -62.1 -44.1 -2.9 -2.0 -1.4 8 8 A T H X S+ 0 0 55 -4,-0.7 4,-2.1 1,-0.2 5,-0.2 0.909 107.1 56.5 -64.6 -39.2 -1.9 0.1 1.7 9 9 A E H X S+ 0 0 95 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 107.5 49.7 -60.1 -35.5 1.0 -2.3 2.4 10 10 A R H X S+ 0 0 183 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.832 110.0 49.8 -73.3 -30.7 2.3 -1.5 -1.1 11 11 A C H X S+ 0 0 58 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.830 113.9 45.5 -78.2 -28.9 2.0 2.3 -0.6 12 12 A I H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.928 112.3 49.7 -77.9 -45.6 3.9 2.1 2.7 13 13 A E H X S+ 0 0 119 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.896 110.5 51.2 -60.8 -39.3 6.7 -0.1 1.4 14 14 A S H < S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.5 52.2 -66.9 -40.1 7.2 2.1 -1.6 15 15 A L H < S+ 0 0 144 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.6 50.5 -64.0 -35.6 7.5 5.3 0.6 16 16 A I H < 0 0 133 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.923 360.0 360.0 -68.9 -42.6 10.2 3.5 2.7 17 17 A A < 0 0 137 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.528 360.0 360.0 -69.6 360.0 12.3 2.5 -0.4