==== 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 16-AUG-06 2I28 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN BUIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.-W.CHI,D.-H.KIM,B.M.OLIVERA,J.M.MCINTOSH,K.-H.HAN . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 38.5 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 . 2 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 23.1 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 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 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 0 107 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 146.4 3.7 6.5 1.6 2 2 A a + 0 0 59 1,-0.2 10,-0.2 11,-0.2 11,-0.1 0.472 360.0 62.1 -84.5 -1.1 1.0 3.8 1.8 3 3 A b S S+ 0 0 89 1,-0.1 -1,-0.2 10,-0.1 10,-0.1 0.837 97.9 52.5 -88.1 -41.2 1.0 3.4 -1.9 4 4 A S S S+ 0 0 115 9,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.378 96.9 81.6 -80.6 7.0 4.6 2.3 -2.4 5 5 A T S >> S- 0 0 53 1,-0.1 4,-2.3 -4,-0.1 3,-1.2 -0.957 72.1-148.1-118.0 117.0 4.1 -0.5 0.2 6 6 A P H 3> S+ 0 0 99 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.864 93.4 58.0 -48.3 -49.4 2.4 -3.7 -1.0 7 7 A P H 34 S+ 0 0 104 0, 0.0 4,-0.2 0, 0.0 -5,-0.1 0.755 118.2 33.3 -58.4 -25.1 0.6 -4.6 2.3 8 8 A a H X> S+ 0 0 19 -3,-1.2 4,-1.2 2,-0.1 3,-0.8 0.717 108.4 65.9-102.5 -25.5 -1.2 -1.2 2.3 9 9 A A H 3< S+ 0 0 45 -4,-2.3 4,-0.5 4,-0.3 -1,-0.1 0.705 89.8 69.1 -69.8 -16.3 -1.6 -0.9 -1.5 10 10 A V T 3< S+ 0 0 124 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.878 99.7 48.9 -69.8 -34.0 -3.9 -4.0 -1.4 11 11 A L T <4 S- 0 0 139 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.1 0.998 139.1 -75.4 -61.5 -67.9 -6.5 -1.8 0.3 12 12 A Y < 0 0 215 -4,-1.2 -3,-0.2 -10,-0.2 -2,-0.2 -0.070 360.0 360.0 167.5 51.2 -6.3 1.1 -2.1 13 13 A b 0 0 56 -4,-0.5 -4,-0.3 -10,-0.1 -11,-0.2 0.772 360.0 360.0 68.6 360.0 -3.0 2.6 -0.9