==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE TOXIN 24-AUG-00 1E76 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN IM1(D5N); . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.P.ROGERS,P.LUGINBUHL,K.PEMBERTON,P.HARTY,D.E.WEMMER, . 12 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 25.0 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 . 3 25.0 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 0 111 0, 0.0 11,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.0 6.4 -17.0 3.6 2 2 A a > + 0 0 45 6,-0.1 3,-2.0 7,-0.0 5,-0.3 0.500 360.0 60.0-133.8 -40.1 7.5 -13.4 2.8 3 3 A b T 3 S+ 0 0 82 1,-0.3 5,-0.2 4,-0.1 9,-0.1 0.797 92.0 76.2 -59.2 -20.5 7.0 -13.1 -1.0 4 4 A S T 3 S+ 0 0 94 3,-0.1 -1,-0.3 2,-0.1 5,-0.0 0.381 92.9 61.1 -63.5 0.2 3.4 -13.9 0.0 5 5 A N S X S- 0 0 66 -3,-2.0 3,-1.5 3,-0.0 -3,-0.0 -0.999 90.1-128.6-134.5 130.1 3.4 -10.2 1.3 6 6 A P T 3 S+ 0 0 131 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 0.363 102.8 71.7 -73.6 11.8 4.0 -7.3 -1.2 7 7 A R T 3 S+ 0 0 199 -5,-0.3 -4,-0.1 1,-0.2 3,-0.1 0.205 92.9 58.7 -97.0 7.2 6.8 -5.8 1.0 8 8 A a X + 0 0 23 -3,-1.5 3,-0.9 -6,-0.2 -1,-0.2 -0.030 58.4 128.7-133.8 27.7 9.1 -8.7 0.0 9 9 A A T 3 + 0 0 91 -3,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.873 67.6 63.1 -52.9 -41.0 9.3 -8.5 -3.8 10 10 A W T 3 S- 0 0 230 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.766 117.3 -13.7 -60.3 -37.9 13.2 -8.5 -3.8 11 11 A R < 0 0 184 -3,-0.9 -1,-0.1 -9,-0.0 0, 0.0 -0.975 360.0 360.0-173.3 151.2 13.7 -12.0 -2.3 12 12 A b 0 0 113 -2,-0.3 -3,-0.0 -10,-0.1 0, 0.0 -0.817 360.0 360.0-143.9 360.0 11.9 -14.9 -0.5