==== 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 2IFI . 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) . 1325.0 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 . 1 8.3 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 0 108 0, 0.0 2,-0.4 0, 0.0 8,-0.4 0.000 360.0 360.0 360.0 92.0 16.7 13.4 9.2 2 2 A a + 0 0 56 8,-0.1 8,-0.2 6,-0.1 2,-0.1 -0.804 360.0 132.3-102.3 131.5 18.5 13.1 5.8 3 3 A b + 0 0 93 6,-1.4 2,-0.3 -2,-0.4 -1,-0.1 -0.128 50.4 19.2-144.3-129.7 17.7 10.3 3.3 4 4 A S >> - 0 0 84 1,-0.1 3,-1.6 -2,-0.1 4,-1.0 -0.427 61.2-139.5 -73.1 122.6 16.9 9.8 -0.6 5 5 A D T 34 S+ 0 0 112 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.709 92.9 55.4 -56.9 -38.2 18.1 12.8 -2.7 6 6 A A T 34 S+ 0 0 81 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.674 132.5 3.9 -68.2 -18.7 15.2 13.3 -5.3 7 7 A R T <4 S+ 0 0 231 -3,-1.6 -2,-0.2 1,-0.2 2,-0.0 0.568 123.6 54.2-129.9 -63.9 12.4 13.6 -2.5 8 8 A b S < S- 0 0 33 -4,-1.0 -1,-0.2 1,-0.1 -6,-0.1 -0.285 90.4 -95.3 -69.0 158.8 13.9 13.6 1.1 9 9 A A - 0 0 53 -8,-0.4 -6,-1.4 1,-0.1 -1,-0.1 -0.363 18.7-164.1 -77.2 156.1 16.8 16.1 2.1 10 10 A W S S+ 0 0 144 -8,-0.2 2,-0.4 -5,-0.1 -8,-0.1 0.660 72.2 86.3 -97.4 -29.6 20.6 15.9 2.2 11 11 A R 0 0 198 -10,-0.1 -2,-0.1 0, 0.0 -1,-0.0 -0.626 360.0 360.0 -79.1 122.7 21.1 19.1 4.5 12 12 A a 0 0 132 -2,-0.4 -10,-0.0 -10,-0.1 -2,-0.0 -0.997 360.0 360.0-141.3 360.0 20.9 18.3 8.3