==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 03-APR-97 1AG7 . COMPND 2 MOLECULE: CONOTOXIN GS; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . AUTHOR J.M.HILL,P.F.ALEWOOD,D.J.CRAIK . 34 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 14.7 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 . 1 2.9 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.8 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 . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL 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 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 A 0 0 129 0, 0.0 10,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 139.8 7.5 8.0 2.0 2 2 A a - 0 0 65 1,-0.1 11,-0.3 11,-0.1 2,-0.2 0.218 360.0 -92.5 -53.9 177.8 10.9 6.3 1.5 3 3 A S B -a 13 0A 2 9,-1.3 11,-2.7 8,-0.3 2,-0.2 -0.593 33.3-141.6 -95.9 159.8 11.8 3.9 -1.4 4 4 A G > - 0 0 32 -2,-0.2 3,-2.3 9,-0.2 2,-2.1 -0.619 43.9 -71.3-114.1 173.8 11.5 0.1 -1.3 5 5 A R T 3 S+ 0 0 181 1,-0.3 23,-0.1 -2,-0.2 3,-0.1 -0.453 129.0 39.7 -70.4 83.3 13.8 -2.6 -2.7 6 6 A G T 3 S+ 0 0 49 -2,-2.1 2,-0.3 1,-0.5 -1,-0.3 0.230 101.7 76.2 157.8 -6.4 12.9 -2.0 -6.3 7 7 A S S < S- 0 0 52 -3,-2.3 20,-2.2 20,-0.1 -1,-0.5 -0.945 71.7-126.9-126.3 147.4 12.8 1.9 -6.5 8 8 A R - 0 0 108 17,-0.3 2,-0.3 -2,-0.3 -4,-0.1 0.005 44.1 -50.2 -79.9-169.9 15.7 4.3 -6.6 9 9 A b S S+ 0 0 41 11,-0.1 3,-0.2 3,-0.1 2,-0.1 -0.930 90.0 62.7-123.9 147.0 16.4 7.4 -4.4 10 10 A X S S+ 0 0 127 -2,-0.3 2,-0.2 -3,-0.0 -2,-0.1 0.750 85.4 68.1 -74.3 170.7 14.9 9.7 -3.6 11 11 A X S S- 0 0 85 -2,-0.1 -8,-0.3 -10,-0.1 3,-0.1 0.410 113.6-114.8 -58.2 137.0 12.6 8.9 -2.0 12 12 A Q - 0 0 155 -2,-0.2 -9,-1.3 -10,-0.2 -3,-0.1 -0.243 40.5 -95.4 -49.0 129.9 15.5 8.0 0.3 13 13 A c B -a 3 0A 23 -11,-0.3 -9,-0.2 1,-0.1 3,-0.2 -0.215 46.6-106.0 -54.4 138.3 15.4 4.2 0.6 14 14 A a > - 0 0 41 -11,-2.7 3,-2.1 1,-0.2 -1,-0.1 0.113 57.6 -53.8 -56.1 172.7 13.6 2.9 3.8 15 15 A M T 3 S+ 0 0 193 1,-0.3 -1,-0.2 14,-0.0 3,-0.1 -0.298 129.6 23.0 -55.9 127.8 15.3 1.5 6.9 16 16 A G T 3 S+ 0 0 43 1,-0.4 14,-2.8 -3,-0.2 15,-0.9 -0.042 106.5 98.1 103.0 -27.6 17.6 -1.4 5.9 17 17 A L E < -B 29 0B 40 -3,-2.1 -1,-0.4 12,-0.3 2,-0.3 -0.470 50.7-163.3 -94.2 165.8 18.1 -0.2 2.3 18 18 A R E -B 28 0B 121 10,-2.5 10,-2.6 -2,-0.1 2,-1.0 -0.962 37.4 -95.9-141.2 149.0 20.8 1.8 0.5 19 19 A b E -B 27 0B 51 -2,-0.3 2,-0.8 8,-0.2 8,-0.2 -0.577 36.8-152.9 -74.3 99.0 20.6 3.5 -2.9 20 20 A G E -B 26 0B 16 -2,-1.0 6,-2.5 6,-0.8 -11,-0.1 -0.648 15.9-139.6 -77.1 110.4 22.1 1.0 -5.5 21 21 A R + 0 0 190 -2,-0.8 2,-0.2 4,-0.2 -1,-0.0 -0.163 52.0 87.3 -65.4 162.0 23.6 3.1 -8.3 22 22 A G S S- 0 0 18 3,-0.1 3,-0.3 0, 0.0 -2,-0.0 -0.816 78.7 -41.1 136.8-175.4 23.2 2.0 -12.0 23 23 A N S S+ 0 0 153 1,-0.4 2,-0.1 -2,-0.2 -2,-0.0 -0.968 135.5 22.9-132.2 115.8 20.7 2.4 -14.8 24 24 A P S S- 0 0 110 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 0.522 106.2-136.2 -72.7 140.7 17.9 2.2 -14.0 25 25 A Q + 0 0 77 -3,-0.3 -17,-0.3 -2,-0.1 2,-0.3 -0.245 29.6 177.0 -60.0 150.6 19.0 3.1 -10.4 26 26 A K E -B 20 0B 108 -6,-2.5 -6,-0.8 -19,-0.2 -18,-0.3 -0.932 29.3-120.1-160.8 134.7 17.4 0.9 -7.6 27 27 A c E +B 19 0B 0 -20,-2.2 -8,-0.2 -23,-0.4 2,-0.2 -0.478 33.9 178.0 -75.2 147.7 17.7 0.7 -3.8 28 28 A I E -B 18 0B 46 -10,-2.6 -10,-2.5 -23,-0.1 2,-0.4 -0.690 36.4 -76.6-133.9-175.0 18.8 -2.7 -2.4 29 29 A G E > -B 17 0B 8 -12,-0.3 3,-0.5 -2,-0.2 -12,-0.3 -0.758 22.7-162.8 -98.1 137.9 19.5 -3.9 1.1 30 30 A A T 3 S+ 0 0 50 -14,-2.8 -1,-0.1 -2,-0.4 -13,-0.1 0.892 99.8 46.3 -79.0 -44.3 22.6 -2.9 3.1 31 31 A H T 3 S+ 0 0 175 -15,-0.9 2,-0.6 1,-0.1 -1,-0.2 -0.006 92.5 96.0 -88.1 29.0 22.1 -5.7 5.6 32 32 A X < + 0 0 66 -3,-0.5 -3,-0.1 -16,-0.1 -1,-0.1 -0.843 40.9 158.5-122.0 85.0 21.4 -8.0 2.6 33 33 A D 0 0 125 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.1 -0.179 360.0 360.0-103.0 36.4 24.8 -9.6 2.1 34 34 A V 0 0 183 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.575 360.0 360.0-133.4 360.0 23.4 -12.6 0.1