==== 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 25-SEP-06 2IGU . 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) . 1376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 33.3 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 . 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 . 1 8.3 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 . 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 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.1 7.0 14.6 3.1 2 2 A a - 0 0 94 10,-0.0 10,-0.0 0, 0.0 0, 0.0 0.948 360.0 -38.5 -71.2 -88.5 7.0 14.3 -0.8 3 3 A b S S+ 0 0 28 9,-1.3 4,-0.1 2,-0.1 5,-0.0 0.801 75.9 157.5 -94.0 -71.0 10.6 13.3 -1.7 4 4 A S + 0 0 98 8,-1.9 5,-0.1 1,-0.2 3,-0.0 0.951 39.2 124.5 43.1 74.0 12.8 15.4 0.8 5 5 A D S > S- 0 0 68 3,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.978 80.1 -90.6-155.6 153.8 15.9 13.1 0.5 6 6 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.900 127.0 49.2 -43.3 -45.8 19.8 12.9 -0.4 7 7 A R T 3 S+ 0 0 169 -4,-0.1 2,-0.5 1,-0.1 -3,-0.0 0.666 103.2 74.2 -64.5 -22.1 18.8 12.1 -4.1 8 8 A b < + 0 0 20 -3,-1.4 -3,-0.4 1,-0.1 -1,-0.1 -0.876 39.9 147.7-101.2 119.1 16.3 15.2 -4.2 9 9 A A S S- 0 0 105 -2,-0.5 2,-0.4 -5,-0.1 -1,-0.1 0.701 93.0 -3.3-102.0 -73.8 17.6 18.9 -4.4 10 10 A W S S+ 0 0 262 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.587 113.2 96.6-111.8 68.5 14.8 20.7 -6.5 11 11 A R 0 0 170 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.1 0.745 360.0 360.0-126.1 -59.3 12.7 17.6 -7.2 12 12 A a 0 0 111 -3,-0.1 -8,-1.9 -10,-0.0 -9,-1.3 -0.830 360.0 360.0-155.0 360.0 9.7 17.2 -4.7