==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-APR-99 1QFB . COMPND 2 MOLECULE: PROTEIN (CONTRYPHAN-R); . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.K.PALLAGHY,A.P.MELNIKOVA,E.C.JIMENEZ,B.M.OLIVERA, . 8 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1 12.5 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 12.5 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 0 107 0, 0.0 2,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 35.6 19.0 26.3 15.4 2 2 A a + 0 0 86 2,-0.1 2,-0.2 4,-0.0 0, 0.0 -0.930 360.0 35.1-124.3 146.8 18.9 24.6 18.8 3 3 A X S S+ 0 0 122 -2,-0.3 0, 0.0 2,-0.2 0, 0.0 0.644 91.7 78.0 -69.9-159.5 18.4 21.8 19.7 4 4 A X S S+ 0 0 215 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.074 90.9 49.1 123.9 -29.8 19.8 19.5 16.9 5 5 A E S > S- 0 0 102 -4,-0.2 3,-0.8 1,-0.0 -2,-0.2 -0.972 75.6-125.4-142.8 159.0 23.5 19.6 17.8 6 6 A P T 3 S+ 0 0 113 0, 0.0 -4,-0.0 0, 0.0 -1,-0.0 0.486 96.4 78.7 -83.4 -8.9 25.6 19.1 21.0 7 7 A W T 3 0 0 153 1,-0.1 -5,-0.0 0, 0.0 0, 0.0 0.249 360.0 360.0 -89.4 11.4 27.3 22.5 20.6 8 8 A a < 0 0 97 -3,-0.8 -1,-0.1 -7,-0.0 -6,-0.0 -0.453 360.0 360.0 -77.0 360.0 24.5 24.8 21.9