==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 17-APR-96 1GIB . COMPND 2 MOLECULE: MU-CONOTOXIN GIIIB; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . AUTHOR J.M.HILL,P.F.ALEWOOD,D.J.CRAIK . 22 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 27.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 9.1 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 R 0 0 250 0, 0.0 11,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 143.1 -0.9 -5.5 -16.0 2 2 A D + 0 0 112 1,-0.0 13,-0.1 8,-0.0 6,-0.0 0.976 360.0 106.0 53.0 86.5 0.0 -5.4 -12.3 3 3 A a S S+ 0 0 3 6,-0.1 6,-1.3 7,-0.1 4,-0.1 0.365 70.4 49.6-152.8 -48.7 -2.6 -3.1 -10.8 4 4 A b S S+ 0 0 31 4,-0.2 2,-0.2 5,-0.1 4,-0.2 0.591 79.4 115.6 -79.0 -10.2 -5.2 -5.0 -8.7 5 5 A T S S- 0 0 72 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.465 88.0 -58.6 -62.3 124.1 -2.3 -6.8 -6.9 6 6 A X S S+ 0 0 131 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.200 132.9 39.6 -61.7 137.0 -2.8 -5.5 -3.3 7 7 A X S S- 0 0 143 -4,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.615 104.6-122.7 -72.8 150.2 -2.7 -2.6 -2.6 8 8 A R - 0 0 149 -4,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.017 28.1-176.9 -54.1 160.6 -4.6 -1.6 -5.8 9 9 A K + 0 0 89 -6,-1.3 -5,-0.1 6,-0.1 -1,-0.1 0.628 8.1 172.1-123.2 -62.4 -3.2 0.8 -8.4 10 10 A c + 0 0 35 1,-0.1 -7,-0.1 5,-0.1 -2,-0.1 0.690 41.9 121.5 50.3 24.3 -5.8 1.4 -11.1 11 11 A K + 0 0 175 4,-0.0 -1,-0.1 -8,-0.0 5,-0.1 0.888 49.8 80.4 -80.0 -42.4 -3.5 4.1 -12.5 12 12 A D S > S- 0 0 68 1,-0.1 3,-0.5 -11,-0.1 4,-0.3 -0.286 86.2-122.1 -65.6 150.8 -3.1 2.6 -16.0 13 13 A R G >> S+ 0 0 217 1,-0.2 3,-2.2 2,-0.2 4,-0.7 0.973 114.0 48.2 -57.7 -58.3 -5.8 3.1 -18.6 14 14 A R G 34 S+ 0 0 207 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.660 107.4 60.1 -57.7 -17.1 -6.4 -0.6 -19.1 15 15 A a G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.448 91.4 67.9 -91.6 -2.6 -6.5 -1.0 -15.3 16 16 A K T <4 S+ 0 0 138 -3,-2.2 6,-0.2 -4,-0.3 -2,-0.2 0.910 98.8 45.9 -83.9 -46.0 -9.5 1.4 -14.8 17 17 A X S < S+ 0 0 117 -4,-0.7 -1,-0.1 5,-0.2 -2,-0.1 0.677 87.1 119.5 -69.4 -17.4 -12.3 -0.8 -16.4 18 18 A M S >> S- 0 0 82 -4,-0.3 4,-2.6 1,-0.1 3,-2.0 -0.275 74.4-127.3 -52.7 126.0 -10.9 -3.7 -14.5 19 19 A K T 34 S+ 0 0 184 1,-0.3 -1,-0.1 3,-0.2 -4,-0.0 0.790 105.0 66.5 -45.1 -38.9 -13.6 -5.1 -12.2 20 20 A b T 34 S+ 0 0 24 1,-0.2 -1,-0.3 -5,-0.0 -12,-0.1 0.805 115.8 27.4 -56.5 -32.8 -11.3 -4.8 -9.1 21 21 A c T <4 0 0 43 -3,-2.0 -2,-0.2 -6,-0.2 -1,-0.2 0.838 360.0 360.0 -93.9 -46.9 -11.3 -1.0 -9.4 22 22 A A < 0 0 87 -4,-2.6 -3,-0.2 -6,-0.2 -5,-0.2 0.186 360.0 360.0-161.9 360.0 -14.7 -0.7 -11.1