==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-SEP-06 2IFJ . COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.M.KINI,T.S.KANG . 12 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 58.3 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 . 2 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 8.3 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 . 4 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 8.3 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 . 1 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 99 0, 0.0 2,-1.1 0, 0.0 9,-0.6 0.000 360.0 360.0 360.0-103.3 11.5 14.1 -0.5 2 2 A a B -A 9 0A 62 7,-0.1 7,-0.2 9,-0.1 2,-0.2 -0.757 360.0-165.5 -91.0 84.9 14.4 15.7 1.5 3 3 A b - 0 0 23 5,-1.3 9,-0.1 -2,-1.1 0, 0.0 -0.461 48.7-162.5 -85.9 146.2 16.0 12.3 2.5 4 4 A S S S+ 0 0 106 -2,-0.2 2,-0.3 7,-0.1 -1,-0.1 0.782 82.1 93.6 -69.7 -36.8 18.6 10.9 4.9 5 5 A D S > S- 0 0 129 1,-0.1 3,-1.7 3,-0.1 4,-0.2 -0.477 93.4-121.1 -62.8 118.8 18.5 7.8 2.4 6 6 A K T 3 S+ 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 5,-0.1 0.409 95.6 42.8 -67.0 -7.6 21.4 8.8 0.2 7 7 A R T 3 S+ 0 0 190 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.228 113.4 45.6-134.6 27.9 19.8 9.0 -3.4 8 8 A b S < S+ 0 0 61 -3,-1.7 2,-1.5 2,-0.0 -5,-1.3 -0.058 93.5 135.1-104.1 27.3 16.6 10.8 -2.9 9 9 A A B +A 2 0A 7 -4,-0.2 2,-0.7 -7,-0.2 -7,-0.1 -0.476 25.4 159.5 -90.5 84.4 18.9 13.1 -0.8 10 10 A W - 0 0 216 -2,-1.5 2,-1.2 -9,-0.6 -3,-0.0 -0.893 58.5-122.1 -69.6 112.7 18.4 16.7 -1.2 11 11 A R 0 0 160 -2,-0.7 -7,-0.1 -9,-0.1 -2,-0.1 -0.556 360.0 360.0 -91.4 91.2 20.2 17.0 2.2 12 12 A a 0 0 165 -2,-1.2 -1,-0.0 -9,-0.1 -2,-0.0 -0.572 360.0 360.0 -76.0 360.0 18.2 18.8 5.0