==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 18-JAN-98 1XGC . COMPND 2 MOLECULE: ALPHA-CONOTOXIN GI; . AUTHOR J.GEHRMANN,P.F.ALEWOOD,D.J.CRAIK . 13 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 15.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 7.7 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 E 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.9 3.7 -4.7 4.9 2 2 A C + 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.203 360.0 2.5-157.3 -52.1 5.4 -3.1 1.9 3 3 A C S S+ 0 0 84 1,-0.0 10,-0.2 5,-0.0 3,-0.2 0.623 137.5 43.1-116.6 -41.1 2.8 -1.4 -0.0 4 4 A N + 0 0 57 3,-0.2 -1,-0.0 1,-0.2 8,-0.0 -0.574 64.9 111.4-120.1 65.3 -0.2 -2.1 2.2 5 5 A P S S- 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.807 123.5 -22.2 -73.1 -55.4 0.7 -1.5 5.8 6 6 A A S >>S- 0 0 26 -3,-0.2 4,-1.9 6,-0.1 5,-1.7 -0.385 111.3 -71.4-151.8 53.8 -1.6 1.4 5.5 7 7 A a T 45S- 0 0 36 1,-0.2 -3,-0.2 4,-0.2 5,-0.1 0.854 106.3 -44.0 52.6 36.6 -1.6 1.9 1.7 8 8 A G T 45S- 0 0 38 3,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.907 119.4 -44.4 74.1 44.5 2.0 3.2 2.2 9 9 A R T 45S+ 0 0 194 2,-0.1 -2,-0.2 -6,-0.1 3,-0.1 0.996 124.3 89.6 58.7 82.1 0.8 5.2 5.3 10 10 A H T <5S- 0 0 145 -4,-1.9 -3,-0.2 1,-0.0 -2,-0.1 0.130 107.8 -55.9-160.9 -52.9 -2.5 6.8 4.1 11 11 A Y S