==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-DEC-00 1HRL . COMPND 2 MOLECULE: PARALYTIC PEPTIDE I; . SOURCE 2 SYNTHETIC: YES; . AUTHOR X.-Q.YU,O.PRAKASH,M.R.KANOST . 23 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 43.5 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 . 5 21.7 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 . 1 4.3 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 . 1 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 8.7 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 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 0 A E 0 0 177 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.5 23.0 -5.5 -2.4 2 1 A N - 0 0 24 1,-0.1 5,-0.2 3,-0.1 2,-0.2 -0.041 360.0-148.3 -43.3 148.6 20.1 -4.6 -0.1 3 2 A F > + 0 0 150 3,-0.2 3,-1.3 1,-0.2 -1,-0.1 -0.546 66.9 57.8-114.8-176.7 18.9 -7.6 2.0 4 3 A A T 3 S- 0 0 85 1,-0.3 -1,-0.2 -2,-0.2 7,-0.1 0.968 142.5 -27.0 60.8 50.8 15.5 -8.6 3.4 5 4 A G T 3 S- 0 0 76 -3,-0.1 3,-0.4 5,-0.1 2,-0.4 -0.030 103.1-112.3 100.6 -32.5 13.9 -8.6 -0.1 6 5 A G S < S- 0 0 9 -3,-1.3 -3,-0.2 1,-0.2 5,-0.1 -0.853 72.8 -21.9 107.1-140.4 16.3 -6.0 -1.5 7 6 A a S > S+ 0 0 63 -2,-0.4 4,-0.6 -5,-0.2 3,-0.2 0.757 119.7 86.3 -80.0 -23.2 15.2 -2.5 -2.4 8 7 A A T >4 S- 0 0 70 -3,-0.4 3,-2.4 1,-0.2 -2,-0.1 0.356 103.9 -10.1 -55.7-157.0 11.6 -3.7 -2.8 9 8 A T T 34 S+ 0 0 140 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 -0.143 135.9 42.3 -42.6 115.1 9.3 -3.8 0.3 10 9 A G T 34 S+ 0 0 33 1,-0.4 12,-1.6 -3,-0.2 2,-0.3 -0.068 103.8 66.5 134.1 -35.5 11.8 -3.1 3.1 11 10 A Y E << S-A 21 0A 31 -3,-2.4 -1,-0.4 -4,-0.6 2,-0.2 -0.865 72.2-131.6-116.9 152.9 14.0 -0.4 1.6 12 11 A L E -A 20 0A 63 8,-1.5 8,-1.5 -2,-0.3 2,-0.8 -0.519 35.1 -94.8 -95.2 167.3 13.1 3.2 0.8 13 12 A R E -A 19 0A 218 6,-0.2 2,-0.4 -2,-0.2 6,-0.2 -0.717 38.4-154.9 -86.7 114.9 14.0 4.9 -2.6 14 13 A T E >> -A 18 0A 23 4,-2.0 4,-1.5 -2,-0.8 3,-1.3 -0.717 17.4-135.1 -89.4 135.3 17.3 6.8 -2.2 15 14 A A T 34 S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.544 100.0 78.0 -67.1 -0.6 17.8 9.8 -4.6 16 15 A D T 34 S- 0 0 120 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.232 124.3 -96.4 -90.9 16.5 21.3 8.4 -5.1 17 16 A G T <4 S+ 0 0 69 -3,-1.3 2,-0.2 1,-0.2 -2,-0.2 0.960 97.3 77.7 71.3 50.4 19.8 5.8 -7.4 18 17 A R E < S-A 14 0A 154 -4,-1.5 -4,-2.0 -11,-0.0 2,-0.4 -0.800 79.2 -93.1-160.0-157.8 19.6 3.1 -4.8 19 18 A a E -A 13 0A 7 -6,-0.2 -6,-0.2 -2,-0.2 -11,-0.1 -0.988 27.1-157.0-140.8 130.5 17.6 1.9 -1.7 20 19 A K E -A 12 0A 93 -8,-1.5 -8,-1.5 -2,-0.4 2,-0.2 -0.445 36.3 -83.3 -97.5 176.8 18.1 2.7 1.9 21 20 A P E -A 11 0A 66 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.566 27.7-136.0 -80.0 140.2 17.0 0.7 5.0 22 21 A T 0 0 61 -12,-1.6 -11,-0.1 1,-0.3 -13,-0.0 0.074 360.0 360.0 -85.0 30.1 13.4 1.3 6.2 23 22 A F 0 0 215 -13,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.197 360.0 360.0 42.3 360.0 14.6 1.5 9.8