==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-JAN-05 1WXN . COMPND 2 MOLECULE: TOXIN APETX2; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTHOPLEURA ELEGANTISSIMA; . AUTHOR B.CHAGOT,P.ESCOUBAS,S.DIOCHOT,C.BERNARD,M.LAZDUNSKI,H.DARBON . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 71.4 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 . 16 38.1 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 . 2 4.8 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 . 9 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 2 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 G 0 0 114 0, 0.0 2,-1.6 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 151.5 2.3 -6.8 9.8 2 2 A T - 0 0 42 11,-0.2 11,-2.2 1,-0.0 2,-0.1 -0.592 360.0-152.3 -79.2 87.7 -0.5 -6.4 7.3 3 3 A A E +A 12 0A 76 -2,-1.6 2,-0.3 9,-0.2 9,-0.2 -0.327 20.5 173.8 -68.7 138.7 1.4 -7.7 4.2 4 4 A a E -A 11 0A 9 7,-2.5 7,-3.2 34,-0.1 2,-0.4 -0.989 12.9-157.7-142.4 148.7 0.4 -6.5 0.8 5 5 A S E -A 10 0A 93 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.992 9.2-171.6-133.1 134.0 2.0 -7.1 -2.6 6 6 A b E > -A 9 0A 29 3,-3.2 3,-2.3 -2,-0.4 2,-1.7 -0.847 69.7 -63.3-124.1 92.4 1.8 -5.1 -5.8 7 7 A G T 3 S- 0 0 91 -2,-0.5 3,-0.0 1,-0.3 -2,-0.0 -0.493 123.8 -14.6 70.7 -87.9 3.5 -7.0 -8.6 8 8 A N T 3 S+ 0 0 146 -2,-1.7 -1,-0.3 -3,-0.0 2,-0.3 0.522 116.9 98.7-118.6 -17.2 7.0 -7.1 -7.2 9 9 A S E < -A 6 0A 33 -3,-2.3 -3,-3.2 30,-0.1 2,-0.4 -0.551 55.5-162.8 -79.3 133.8 6.6 -4.4 -4.6 10 10 A K E +A 5 0A 120 30,-0.5 32,-2.8 -2,-0.3 -5,-0.2 -0.966 28.7 115.5-121.7 131.2 6.0 -5.7 -1.0 11 11 A G E -A 4 0A 5 -7,-3.2 -7,-2.5 -2,-0.4 2,-0.4 -0.749 54.4 -61.0-162.5-150.3 4.6 -3.6 1.8 12 12 A I E -AB 3 38A 50 26,-2.0 26,-2.4 -9,-0.2 2,-0.4 -0.934 31.1-146.6-125.4 136.8 1.9 -2.9 4.3 13 13 A Y E - B 0 37A 26 -11,-2.2 2,-0.4 -2,-0.4 24,-0.3 -0.860 13.8-141.2-106.7 141.9 -1.8 -2.0 3.8 14 14 A W E - B 0 36A 52 22,-3.0 22,-1.7 -2,-0.4 2,-0.8 -0.821 20.4-115.6-105.4 138.0 -3.7 0.3 6.2 15 15 A F E S- B 0 35A 108 -2,-0.4 20,-0.3 1,-0.3 19,-0.0 -0.600 86.2 -35.2 -79.2 106.6 -7.3 -0.2 7.2 16 16 A Y S S+ 0 0 184 -2,-0.8 -1,-0.3 18,-0.8 19,-0.1 0.642 98.2 145.1 58.7 16.6 -9.4 2.6 5.9 17 17 A R - 0 0 113 -3,-0.3 19,-0.2 1,-0.1 -1,-0.2 -0.780 32.6-174.5 -91.1 108.4 -6.5 4.9 6.5 18 18 A P + 0 0 115 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.377 68.9 85.8 -79.2 4.9 -6.4 7.7 3.8 19 19 A S + 0 0 64 2,-0.0 -2,-0.0 17,-0.0 17,-0.0 -0.844 57.1 177.6-113.2 91.8 -3.1 8.8 5.3 20 20 A c - 0 0 38 -2,-0.7 2,-1.0 17,-0.0 17,-0.0 -0.865 27.3-136.6 -97.9 113.0 -0.2 6.8 3.9 21 21 A P > - 0 0 30 0, 0.0 3,-1.3 0, 0.0 5,-0.2 -0.555 19.1-172.8 -71.0 100.9 3.1 7.9 5.3 22 22 A T G >> S+ 0 0 104 -2,-1.0 3,-1.0 1,-0.3 4,-0.7 0.567 70.5 85.1 -77.3 -4.0 5.3 8.0 2.2 23 23 A D G 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.475 71.6 76.6 -77.6 -2.1 8.3 8.7 4.3 24 24 A R G <4 S- 0 0 144 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.1 0.110 122.7 -98.3 -93.1 19.8 8.7 5.0 4.9 25 25 A G T <4 + 0 0 52 -3,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.796 60.0 178.1 71.6 30.3 10.1 4.6 1.4 26 26 A Y < - 0 0 28 -4,-0.7 -1,-0.2 -5,-0.2 3,-0.1 -0.498 12.9-176.9 -71.1 130.3 6.7 3.6 -0.1 27 27 A T + 0 0 112 12,-1.5 2,-0.3 -2,-0.3 -1,-0.2 0.853 62.2 18.9 -96.0 -44.3 7.1 3.1 -3.9 28 28 A G E -C 39 0A 22 11,-3.1 11,-2.0 2,-0.0 2,-0.4 -0.792 58.1-147.4-126.9 168.2 3.5 2.2 -4.9 29 29 A S E +C 38 0A 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.941 22.2 175.2-140.4 115.3 -0.0 2.5 -3.6 30 30 A b E -C 37 0A 46 7,-2.8 7,-3.2 -2,-0.4 2,-0.8 -0.778 36.3-107.7-117.7 160.0 -2.7 -0.1 -4.4 31 31 A R E -C 36 0A 190 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.807 37.3-168.8 -90.0 109.4 -6.3 -0.6 -3.3 32 32 A Y E > -C 35 0A 73 3,-2.5 3,-1.7 -2,-0.8 -28,-0.0 -0.702 34.4-109.5 -94.6 151.2 -6.4 -3.5 -1.0 33 33 A F T 3 S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.884 118.4 33.9 -44.3 -48.9 -9.8 -5.0 0.0 34 34 A L T 3 S- 0 0 73 1,-0.1 -18,-0.8 -19,-0.0 2,-0.3 0.381 130.0 -53.9 -96.1 3.2 -9.5 -3.7 3.6 35 35 A G E < S-BC 15 32A 3 -3,-1.7 -3,-2.5 -20,-0.3 2,-0.6 -1.000 85.7 -12.3 161.4-156.5 -7.7 -0.5 2.9 36 36 A T E -BC 14 31A 44 -22,-1.7 -22,-3.0 -2,-0.3 2,-0.8 -0.675 51.0-147.6 -87.2 118.0 -4.8 1.4 1.3 37 37 A a E -BC 13 30A 0 -7,-3.2 -7,-2.8 -2,-0.6 2,-0.8 -0.753 12.4-170.0 -89.5 109.2 -1.9 -0.8 0.2 38 38 A c E -BC 12 29A 0 -26,-2.4 -26,-2.0 -2,-0.8 -9,-0.2 -0.873 10.9-171.8-101.8 107.7 1.4 1.0 0.6 39 39 A T E + C 0 28A 0 -11,-2.0 -11,-3.1 -2,-0.8 -12,-1.5 -0.885 25.0 146.2-113.4 113.4 4.1 -1.0 -1.1 40 40 A P - 0 0 18 0, 0.0 -30,-0.5 0, 0.0 -29,-0.1 0.514 69.7 -78.9 -92.5-105.4 7.8 -0.4 -0.9 41 41 A A 0 0 81 -32,-0.3 -30,-0.2 -36,-0.0 -32,-0.1 -0.221 360.0 360.0-160.2 56.8 9.9 -3.6 -1.0 42 42 A D 0 0 169 -32,-2.8 -31,-0.2 0, 0.0 -3,-0.0 0.854 360.0 360.0 -97.7 360.0 9.9 -5.1 2.5