==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 11-FEB-03 1NXN . COMPND 2 MOLECULE: CONTRYPHAN-VN, MAJOR FORM (CIS CONFORMER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.ELISEO,D.O.CICERO,F.POLTICELLI,M.E.SCHININA,G.R.MASSILIA, . 9 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 0 0.0 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 . 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+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 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 G 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.2 -7.3 2.5 3.6 2 2 A D + 0 0 97 6,-0.0 7,-0.1 4,-0.0 6,-0.1 0.497 360.0 134.4 -73.3 11.4 -4.0 2.4 2.5 3 3 A a + 0 0 57 5,-0.1 2,-0.2 6,-0.0 0, 0.0 -0.743 34.2 38.4-105.9 158.5 -3.5 -1.1 3.6 4 4 A P S S+ 0 0 110 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.582 114.4 33.4 -80.7-163.4 -2.4 -3.7 3.0 5 5 A X S S+ 0 0 241 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.989 88.4 112.8 68.4 67.1 0.8 -3.1 1.1 6 6 A K - 0 0 74 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.968 65.1-130.3-163.3 147.1 2.2 0.0 2.7 7 7 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.846 109.4 41.1 -75.4 -36.3 5.1 0.8 4.8 8 8 A W 0 0 165 1,-0.2 -5,-0.1 -3,-0.1 -6,-0.0 0.460 360.0 360.0 -91.5 0.7 3.4 2.6 7.4 9 9 A a 0 0 89 -3,-0.1 -1,-0.2 -7,-0.1 -6,-0.0 0.581 360.0 360.0 -67.4 360.0 0.6 0.2 7.4