==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN, TOXIN 08-JUN-12 2LU6 . COMPND 2 MOLECULE: MIDI PEPTIDE DESIGNED BASED ON M-CONOTOXINS; . SOURCE 2 SYNTHETIC: YES . AUTHOR N.DYUBANKOVA,E.LESCRINIER,M.STEVENS,J.TYTGAT,P.HERDEWIJN,S.P . 14 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 50.0 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 . 6 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.1 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 1 a 0 0 104 0, 0.0 2,-2.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 177.2 13.5 19.4 13.1 2 2 1 N + 0 0 75 9,-0.3 2,-1.6 1,-0.1 12,-0.1 -0.436 360.0 161.8 -84.7 68.6 17.1 19.2 12.3 3 3 1 b + 0 0 74 -2,-2.2 2,-0.2 10,-0.1 -1,-0.1 -0.381 20.4 143.2 -87.5 58.0 17.8 16.8 15.2 4 4 1 S > - 0 0 84 -2,-1.6 3,-0.8 1,-0.1 10,-0.1 -0.513 66.2-104.1 -89.9 165.0 21.1 15.7 13.7 5 5 1 R T 3 S+ 0 0 251 1,-0.3 2,-0.7 -2,-0.2 -1,-0.1 0.883 118.3 51.0 -64.0 -37.8 24.1 14.9 15.9 6 6 1 W T 3 S+ 0 0 217 1,-0.0 2,-1.6 2,-0.0 -1,-0.3 -0.333 71.4 159.8 -95.8 54.5 25.9 18.1 15.1 7 7 1 A < + 0 0 3 -3,-0.8 -1,-0.0 -2,-0.7 -4,-0.0 -0.545 2.1 157.5 -77.6 87.0 22.9 20.4 15.8 8 8 1 R + 0 0 205 -2,-1.6 -1,-0.2 3,-0.0 4,-0.1 0.875 45.2 82.9 -78.3 -38.0 24.8 23.6 16.3 9 9 1 D S S- 0 0 92 -3,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.173 93.1-101.7 -64.8 174.8 21.9 26.0 15.6 10 10 1 H S S+ 0 0 195 1,-0.2 2,-2.6 2,-0.0 -1,-0.1 0.778 102.9 89.8 -73.4 -24.3 19.1 27.3 17.8 11 11 1 S + 0 0 60 1,-0.1 2,-0.9 2,-0.1 -9,-0.3 -0.344 45.2 143.4 -66.8 59.5 16.8 24.8 16.1 12 12 1 R + 0 0 161 -2,-2.6 -1,-0.1 1,-0.2 -9,-0.1 -0.535 11.4 149.8 -99.6 64.2 17.5 22.1 18.7 13 13 1 a 0 0 84 -2,-0.9 -1,-0.2 0, 0.0 -10,-0.1 0.473 360.0 360.0 -81.0 -2.7 14.0 20.9 18.7 14 14 1 b 0 0 121 -3,-0.1 -2,-0.1 -12,-0.1 -12,-0.0 0.035 360.0 360.0 -37.3 360.0 14.9 17.3 19.5