==== 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 1E74 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN IM1(R11E); . 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) . 1331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 41.7 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 . 4 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 8.3 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 0 113 0, 0.0 3,-1.4 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 174.0 8.0 2.1 3.3 2 2 A a G > + 0 0 51 1,-0.3 3,-2.4 2,-0.1 6,-0.3 0.509 360.0 94.2 -70.7 -5.4 8.0 5.8 2.9 3 3 A b G 3 S+ 0 0 82 1,-0.3 -1,-0.3 9,-0.1 5,-0.1 0.735 74.7 70.8 -55.1 -24.1 7.5 5.8 -0.9 4 4 A S G < S+ 0 0 127 -3,-1.4 -1,-0.3 4,-0.1 -2,-0.1 0.385 91.3 68.1 -74.2 0.9 3.7 6.1 -0.1 5 5 A D S X S- 0 0 77 -3,-2.4 3,-2.2 1,-0.1 7,-0.1 -0.995 78.6-147.2-116.1 122.0 4.6 9.7 1.0 6 6 A P G > S+ 0 0 106 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.867 99.4 63.1 -56.7 -34.7 5.6 12.1 -1.9 7 7 A R G 3 S+ 0 0 222 1,-0.3 -4,-0.1 2,-0.1 -3,-0.1 0.384 112.5 36.6 -75.2 6.8 7.9 13.9 0.5 8 8 A a G <> S+ 0 0 38 -3,-2.2 4,-0.6 -6,-0.3 -1,-0.3 0.109 93.8 87.6-134.6 16.7 9.9 10.6 0.8 9 9 A A T <4 + 0 0 55 -3,-1.8 -2,-0.1 2,-0.1 -6,-0.1 0.330 68.1 83.0 -94.6 3.3 9.5 9.4 -2.8 10 10 A W T 4 S- 0 0 226 -4,-0.2 -1,-0.1 1,-0.1 -3,-0.1 0.977 126.6 -16.3 -66.4 -57.7 12.6 11.3 -3.9 11 11 A E T 4 0 0 159 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.363 360.0 360.0-130.1 -3.2 15.1 8.6 -2.8 12 12 A b < 0 0 75 -4,-0.6 -9,-0.1 -7,-0.1 -3,-0.1 0.827 360.0 360.0 34.2 360.0 12.7 6.6 -0.5