==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 15-OCT-01 1K64 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN EI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.H.PARK,J.E.SUK,R.JACOBSEN,W.R.GRAY,J.M.MCINTOSH,K.H.HAN . 18 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 77.8 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 . 8 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 27.8 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 R 0 0 171 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 169.4 -5.2 -1.9 6.6 2 2 A D >> - 0 0 63 15,-0.2 3,-0.9 1,-0.1 4,-0.6 -0.473 360.0-122.1 -58.7 134.7 -3.8 1.2 5.0 3 3 A X G >4 S+ 0 0 106 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.862 109.8 53.3 -46.4 -46.6 -5.9 1.9 1.8 4 4 A a G >4 S+ 0 0 26 1,-0.2 3,-2.4 2,-0.2 7,-0.8 0.827 96.0 66.6 -66.2 -29.8 -2.8 1.7 -0.5 5 5 A b G <4 S+ 0 0 20 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 99.2 52.7 -71.5 -12.9 -1.7 -1.8 0.8 6 6 A Y G << S+ 0 0 142 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.348 108.1 57.0 -88.7 0.4 -4.9 -3.2 -0.8 7 7 A H S X S- 0 0 110 -3,-2.4 3,-2.0 1,-0.2 4,-0.8 -0.728 82.9-147.2-138.7 83.5 -3.9 -1.6 -4.1 8 8 A P T >> S+ 0 0 83 0, 0.0 4,-2.7 0, 0.0 3,-1.6 0.632 93.2 46.2 -24.7 -71.7 -0.4 -2.8 -5.2 9 9 A T H 3> S+ 0 0 105 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.821 108.6 59.6 -45.2 -41.1 1.1 0.3 -7.0 10 10 A a H <4 S+ 0 0 40 -3,-2.0 -1,-0.3 -6,-0.2 -5,-0.2 0.866 114.5 35.3 -54.2 -45.8 -0.2 2.5 -4.1 11 11 A N H X4 S+ 0 0 22 -3,-1.6 3,-1.3 -7,-0.8 7,-0.3 0.730 108.9 61.0 -91.6 -23.1 2.0 0.5 -1.7 12 12 A M H 3< S+ 0 0 139 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.921 108.4 48.7 -58.1 -39.6 4.8 -0.1 -4.1 13 13 A S T 3< S+ 0 0 84 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.356 121.6 36.5 -77.6 1.9 4.8 3.7 -3.8 14 14 A N X> + 0 0 53 -3,-1.3 3,-2.1 -5,-0.1 4,-0.6 -0.386 64.0 169.8-151.5 66.7 4.7 3.3 0.0 15 15 A P G >4 S+ 0 0 100 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.872 70.3 79.1 -43.8 -44.0 6.9 0.3 0.9 16 16 A Q G 34 S+ 0 0 165 1,-0.3 -4,-0.1 2,-0.2 -5,-0.1 0.663 98.9 36.6 -32.4 -40.4 6.5 1.4 4.6 17 17 A I G <4 0 0 39 -3,-2.1 -1,-0.3 -6,-0.2 -15,-0.2 0.717 360.0 360.0 -89.2 -27.4 3.0 -0.1 4.9 18 18 A b << 0 0 79 -3,-1.7 -2,-0.2 -4,-0.6 -6,-0.1 0.537 360.0 360.0-146.8 360.0 3.1 -3.3 2.9