==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-FEB-12 2LQA . COMPND 2 MOLECULE: ASTEROPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASTEROPUS; . AUTHOR H.LI,J.J.BOWLING,M.T.HAMANN,J.H.JUNG . 37 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2689.0 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 . 3 8.1 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 0 180 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.9 -9.9 6.4 4.1 2 2 A G + 0 0 50 1,-0.2 2,-0.2 13,-0.0 12,-0.0 0.813 360.0 41.6-106.7 -53.7 -7.2 7.5 1.7 3 3 A a S S- 0 0 48 12,-0.1 14,-0.3 7,-0.1 2,-0.2 -0.659 81.1-117.1 -99.2 155.3 -4.2 5.2 2.2 4 4 A A B -a 17 0A 0 12,-2.2 14,-2.6 -2,-0.2 2,-0.2 -0.610 23.1-135.4 -92.0 151.1 -4.2 1.4 2.7 5 5 A F > - 0 0 131 -2,-0.2 3,-1.6 12,-0.2 29,-0.4 -0.481 41.3 -65.2 -98.9 171.8 -3.0 -0.5 5.8 6 6 A E T 3 S+ 0 0 107 1,-0.2 29,-0.2 -2,-0.2 -1,-0.1 -0.326 118.2 28.1 -59.9 129.0 -0.9 -3.6 6.1 7 7 A G T 3 S+ 0 0 63 27,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.099 104.4 85.9 108.3 -20.9 -2.5 -6.8 4.7 8 8 A E S < S- 0 0 52 -3,-1.6 26,-2.5 26,-0.1 -1,-0.4 -0.498 81.0 -91.9-107.0 177.5 -4.7 -5.2 2.0 9 9 A S E -B 33 0B 75 24,-0.2 2,-0.4 -2,-0.2 24,-0.3 -0.641 32.9-162.6 -91.5 147.0 -4.2 -4.1 -1.6 10 10 A b E -B 32 0B 0 22,-2.6 22,-1.4 -2,-0.3 2,-0.6 -0.997 9.5-147.0-134.8 128.3 -3.1 -0.5 -2.7 11 11 A N E >> -BC 31 15B 25 4,-1.0 4,-1.6 -2,-0.4 3,-1.1 -0.855 5.2-153.1 -98.0 119.7 -3.4 1.1 -6.1 12 12 A V T 34 S+ 0 0 79 18,-2.5 19,-0.1 -2,-0.6 -1,-0.1 0.318 92.4 63.3 -72.4 10.3 -0.6 3.6 -7.0 13 13 A Q T 34 S- 0 0 151 17,-0.2 -1,-0.2 2,-0.1 18,-0.1 0.708 132.7 -17.7-104.8 -29.2 -3.1 5.4 -9.3 14 14 A F T <4 S+ 0 0 151 -3,-1.1 -2,-0.2 1,-0.1 -4,-0.0 0.445 131.3 52.9-149.9 -26.6 -5.7 6.6 -6.7 15 15 A Y B < +C 11 0B 59 -4,-1.6 -4,-1.0 -12,-0.0 -2,-0.1 -0.784 66.8 179.2-125.2 87.2 -5.3 4.6 -3.4 16 16 A P - 0 0 73 0, 0.0 -12,-2.2 0, 0.0 -5,-0.2 -0.175 32.7 -91.8 -77.9 176.8 -1.6 4.6 -2.0 17 17 A c B -a 4 0A 18 -14,-0.3 -12,-0.2 -7,-0.1 8,-0.1 -0.487 43.1 -94.9 -88.5 160.9 -0.3 2.9 1.1 18 18 A a - 0 0 26 -14,-2.6 5,-0.4 -2,-0.1 4,-0.4 -0.665 46.3-163.4 -79.9 108.5 -0.1 4.6 4.6 19 19 A P + 0 0 110 0, 0.0 5,-0.1 0, 0.0 -16,-0.0 -0.231 59.3 61.8 -83.5 177.7 3.5 6.0 5.1 20 20 A G S S+ 0 0 88 3,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.186 100.7 58.9 99.8 -40.2 5.2 7.1 8.4 21 21 A L S S- 0 0 122 -3,-0.4 -1,-0.1 2,-0.0 15,-0.0 0.827 120.5 -92.8 -88.8 -38.5 5.1 3.6 10.0 22 22 A G + 0 0 27 -4,-0.4 15,-2.3 1,-0.2 2,-0.3 0.673 68.8 147.4 123.6 51.7 7.1 1.8 7.3 23 23 A L E -D 36 0B 28 -5,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.864 20.8-172.1-115.7 149.2 4.7 0.2 4.8 24 24 A T E -D 35 0B 47 11,-2.2 11,-2.2 -2,-0.3 2,-0.5 -0.960 24.4-118.0-138.9 154.8 5.2 -0.3 1.0 25 25 A b E -D 34 0B 24 -2,-0.3 9,-0.2 9,-0.2 -16,-0.1 -0.837 32.7-134.7 -97.2 123.3 3.1 -1.5 -2.0 26 26 A I E S-D 33 0B 87 7,-1.6 7,-0.7 -2,-0.5 2,-0.2 -0.987 83.7 -11.1-127.4 122.8 4.2 -4.7 -3.7 27 27 A P E S-D 32 0B 88 0, 0.0 5,-0.3 0, 0.0 -2,-0.1 -0.828 80.4-176.0 -75.4 -40.8 4.3 -4.8 -6.7 28 28 A G + 0 0 15 3,-2.4 4,-0.3 -2,-0.2 3,-0.1 0.806 31.1 136.3 90.0 33.8 2.5 -1.5 -7.0 29 29 A N S S- 0 0 124 2,-1.4 2,-0.1 -18,-0.0 -18,-0.1 -0.601 105.3 -40.2-147.1 79.6 2.2 -1.4 -10.9 30 30 A P S S+ 0 0 67 0, 0.0 -18,-2.5 0, 0.0 2,-0.2 -0.924 145.6 33.9 -89.8 -27.4 -0.6 -0.5 -10.8 31 31 A D E +B 11 0B 80 -20,-0.2 -3,-2.4 -2,-0.1 -2,-1.4 -0.549 68.1 164.2 -86.1 149.6 -1.9 -2.6 -7.8 32 32 A G E -BD 10 27B 4 -22,-1.4 -22,-2.6 -4,-0.3 2,-0.4 -0.882 32.1-109.1-151.1-179.2 0.1 -3.6 -4.8 33 33 A T E -BD 9 26B 46 -7,-0.7 -7,-1.6 -24,-0.3 2,-0.7 -0.961 27.8-121.6-123.3 140.9 0.1 -5.0 -1.3 34 34 A c E + D 0 25B 0 -26,-2.5 -27,-2.3 -29,-0.4 2,-0.3 -0.727 43.2 162.7 -86.5 110.6 0.9 -3.1 2.0 35 35 A Y E - D 0 24B 132 -11,-2.2 -11,-2.2 -2,-0.7 2,-0.4 -0.876 37.6-110.6-125.5 158.4 3.8 -4.8 3.8 36 36 A Y E D 0 23B 138 -2,-0.3 -13,-0.2 -13,-0.2 -14,-0.1 -0.738 360.0 360.0 -92.9 135.7 6.1 -3.6 6.6 37 37 A L 0 0 174 -15,-2.3 -1,-0.2 -2,-0.4 -14,-0.1 0.883 360.0 360.0 -99.3 360.0 9.8 -3.0 5.9