==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-JAN-11 3Q8J . COMPND 2 MOLECULE: ASTEROPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASTEROPUS; . AUTHOR J.J.BOWLING,F.R.FRONCZEK,M.T.HAMANN,H.LI,J.H.JUNG . 37 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 32.4 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 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 2.7 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 . 2 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.7 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 . 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 . 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 131 0, 0.0 2,-0.3 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 12.2 5.8 0.8 22.1 2 2 A G - 0 0 36 12,-1.3 2,-0.3 14,-0.0 0, 0.0 -0.863 360.0 -86.4-164.9-160.0 5.8 2.0 18.5 3 3 A a - 0 0 52 -2,-0.3 2,-0.3 12,-0.2 14,-0.2 -0.947 34.4-127.3-131.6 151.4 7.5 4.2 15.9 4 4 A A B -a 17 0A 0 12,-2.2 14,-2.9 -2,-0.3 2,-0.1 -0.674 13.2-141.5-101.2 151.1 6.8 7.9 15.1 5 5 A F > - 0 0 116 -2,-0.3 3,-2.1 1,-0.2 29,-0.4 -0.348 48.8 -52.7-100.4 178.7 6.1 9.7 11.9 6 6 A E T 3 S+ 0 0 134 1,-0.3 29,-0.2 -2,-0.1 -1,-0.2 -0.303 126.6 12.9 -56.9 136.8 7.3 13.1 10.5 7 7 A G T 3 S+ 0 0 60 27,-3.2 2,-0.3 1,-0.3 -1,-0.3 0.374 103.3 116.7 84.1 -10.2 6.6 15.9 12.9 8 8 A E S < S- 0 0 83 -3,-2.1 26,-2.5 26,-0.1 -1,-0.3 -0.696 73.6 -95.2 -94.2 150.0 5.8 13.5 15.8 9 9 A S E -B 33 0B 80 -2,-0.3 2,-0.3 24,-0.2 24,-0.3 -0.341 42.2-165.6 -58.7 136.4 7.7 13.1 19.0 10 10 A b E -B 32 0B 0 22,-2.3 22,-2.4 16,-0.1 2,-0.3 -0.893 15.0-170.4-122.3 156.2 10.3 10.4 19.2 11 11 A N E > -BC 31 15B 23 4,-1.8 4,-2.3 -2,-0.3 20,-0.2 -0.969 23.9-138.2-144.9 128.2 12.2 8.8 22.0 12 12 A V T 4 S+ 0 0 85 18,-1.9 19,-0.1 -2,-0.3 -1,-0.1 0.771 101.4 43.3 -69.3 -18.6 15.1 6.5 21.1 13 13 A Q T 4 S+ 0 0 147 2,-0.1 -1,-0.2 17,-0.1 18,-0.0 0.849 132.5 12.7 -82.9 -42.3 14.1 3.9 23.8 14 14 A F T 4 S+ 0 0 113 1,-0.1 -12,-1.3 -3,-0.1 -2,-0.2 0.743 134.3 21.7-110.6 -35.1 10.4 3.7 23.3 15 15 A Y B < +C 11 0B 94 -4,-2.3 -4,-1.8 -14,-0.2 -12,-0.2 -0.573 67.0 177.0-145.8 69.9 9.3 5.5 20.1 16 16 A P - 0 0 59 0, 0.0 -12,-2.2 0, 0.0 2,-0.1 -0.287 46.8 -84.1 -67.9 163.9 12.1 5.8 17.5 17 17 A c B -a 4 0A 22 -14,-0.2 -12,-0.2 1,-0.1 8,-0.1 -0.481 53.0-100.7 -64.1 141.6 11.2 7.3 14.2 18 18 A a > - 0 0 8 -14,-2.9 3,-0.5 -2,-0.1 5,-0.4 -0.389 44.6-117.4 -64.2 139.8 9.7 4.8 11.7 19 19 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 -0.276 86.3 39.1 -82.0 164.0 12.3 3.6 9.2 20 20 A G T 3 S+ 0 0 86 3,-0.1 -2,-0.1 -2,-0.1 0, 0.0 0.519 93.5 88.8 84.0 6.2 12.4 3.9 5.4 21 21 A L S < S- 0 0 80 -3,-0.5 16,-0.1 2,-0.1 -3,-0.1 0.251 101.2-105.8-121.9 7.7 11.0 7.5 5.5 22 22 A G + 0 0 37 1,-0.2 15,-2.6 15,-0.1 2,-0.4 0.664 67.3 155.2 77.2 14.1 14.1 9.7 5.8 23 23 A L E -D 36 0B 32 -5,-0.4 2,-0.4 13,-0.2 -1,-0.2 -0.603 24.8-175.8 -92.0 135.3 13.4 10.5 9.4 24 24 A T E -D 35 0B 54 11,-2.3 11,-2.6 -2,-0.4 2,-0.9 -0.947 28.1-126.2-119.4 141.9 16.0 11.5 12.0 25 25 A b E -D 34 0B 23 -2,-0.4 9,-0.2 9,-0.2 -13,-0.1 -0.800 36.2-132.6 -94.2 101.2 15.1 12.0 15.7 26 26 A I E S-D 33 0B 86 7,-2.3 7,-2.0 -2,-0.9 -16,-0.1 -0.909 80.8 -11.0-112.3 126.4 16.3 15.5 16.6 27 27 A P E S-D 32 0B 90 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 -0.976 80.7-176.2 -79.4 -19.4 17.8 16.0 19.0 28 28 A G + 0 0 18 3,-1.4 4,-0.2 -18,-0.2 3,-0.1 0.882 21.3 153.6 71.7 38.6 17.0 12.4 20.2 29 29 A N S S- 0 0 126 2,-1.6 -1,-0.1 -17,-0.0 3,-0.1 -0.175 103.9 -57.1-121.7 45.4 18.8 12.8 23.6 30 30 A P S S+ 0 0 62 0, 0.0 -18,-1.9 0, 0.0 2,-0.2 -0.988 140.6 52.7 -97.0 -8.6 16.7 10.7 24.1 31 31 A D E +B 11 0B 91 -20,-0.2 -2,-1.6 -3,-0.1 -3,-1.4 -0.590 62.9 133.5 -89.4 153.0 13.6 12.7 23.0 32 32 A G E -BD 10 27B 8 -22,-2.4 -22,-2.3 -5,-0.2 2,-0.4 -0.905 50.2 -93.6-163.5-166.1 13.2 14.5 19.7 33 33 A T E -BD 9 26B 71 -7,-2.0 -7,-2.3 -24,-0.3 2,-0.5 -0.987 41.7-110.3-126.4 140.7 10.9 15.2 16.8 34 34 A c E - D 0 25B 2 -26,-2.5 -27,-3.2 -29,-0.4 2,-0.4 -0.607 41.5-173.1 -76.1 120.9 11.1 13.1 13.6 35 35 A Y E - D 0 24B 135 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.4 -0.915 20.5-120.9-118.7 137.0 12.5 15.4 10.9 36 36 A Y E D 0 23B 128 -2,-0.4 -13,-0.2 -13,-0.2 -14,-0.1 -0.686 360.0 360.0 -85.5 129.7 12.7 14.5 7.2 37 37 A L 0 0 150 -15,-2.6 -1,-0.2 -2,-0.4 -14,-0.2 0.570 360.0 360.0-118.6 360.0 16.1 14.5 5.4