==== 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 19-JAN-04 1V90 . COMPND 2 MOLECULE: DELTA-PALUTOXIN IT1; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOELOTES LUCTUOSUS; . AUTHOR G.FERRAT,F.BOSMANS,J.TYTGAT,C.PIMENTEL,B.CHAGOT,T.NAKAJIMA, . 37 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 24.3 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 . 2 5.4 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 . 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 . 1 2.7 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 . 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 . 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 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 G 0 0 116 0, 0.0 16,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 148.0 5.0 9.2 6.9 2 2 A a - 0 0 67 14,-0.1 2,-0.5 1,-0.1 3,-0.1 0.159 360.0 -94.7 -68.9-167.9 2.4 7.0 5.2 3 3 A L - 0 0 7 1,-0.4 4,-0.3 4,-0.1 15,-0.1 -0.616 54.4-105.5-116.3 72.0 1.8 6.9 1.4 4 4 A G - 0 0 24 -2,-0.5 14,-1.4 13,-0.1 -1,-0.4 -0.012 44.7 -85.2 43.9-146.1 -1.0 9.3 0.7 5 5 A E S S+ 0 0 143 12,-0.1 -1,-0.1 -3,-0.1 28,-0.1 0.664 119.8 22.1-122.2 -49.2 -4.4 7.7 -0.0 6 6 A G S S+ 0 0 77 2,-0.1 2,-0.6 27,-0.1 -2,-0.1 0.411 97.0 115.0-101.1 -0.9 -4.6 6.9 -3.7 7 7 A E S S- 0 0 110 -4,-0.3 10,-0.1 1,-0.1 -4,-0.1 -0.609 70.7-125.6 -73.3 109.0 -1.0 6.9 -3.9 8 8 A K - 0 0 135 -2,-0.6 24,-0.1 1,-0.1 -2,-0.1 -0.272 30.4-107.8 -60.1 143.4 0.3 3.4 -4.7 9 9 A b + 0 0 15 3,-0.0 2,-0.3 2,-0.0 22,-0.1 -0.104 42.1 172.9 -66.6 169.8 2.9 2.0 -2.3 10 10 A A >> - 0 0 36 22,-0.0 4,-1.3 1,-0.0 3,-0.7 -0.930 47.6-111.5-175.6 152.4 6.6 1.6 -3.1 11 11 A D T 34 S+ 0 0 154 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.591 102.7 84.9 -67.2 -9.3 9.9 0.7 -1.6 12 12 A W T 34 S+ 0 0 244 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.954 116.6 2.3 -57.2 -54.4 10.8 4.4 -2.1 13 13 A S T <4 S- 0 0 97 -3,-0.7 -1,-0.2 -10,-0.0 -2,-0.2 0.350 119.3 -98.7-113.7 0.1 9.3 5.5 1.2 14 14 A G < - 0 0 25 -4,-1.3 -3,-0.2 2,-0.0 -2,-0.0 0.695 41.7 -86.7 82.6 118.8 8.3 2.1 2.3 15 15 A P S S+ 0 0 37 0, 0.0 -7,-0.1 0, 0.0 -6,-0.0 -0.123 71.8 122.4 -51.2 145.6 4.7 0.7 1.8 16 16 A S - 0 0 75 -13,-0.1 7,-0.9 2,-0.0 -14,-0.1 0.189 52.7-140.3-171.3 -41.9 2.3 1.5 4.6 17 17 A c - 0 0 9 5,-0.2 4,-0.2 -16,-0.1 6,-0.2 0.747 30.1 -93.3 64.5 120.9 -0.7 3.4 3.2 18 18 A a > - 0 0 26 -14,-1.4 3,-0.8 1,-0.1 -13,-0.0 0.241 63.1 -57.3 -50.1-177.7 -2.1 6.3 5.3 19 19 A D T 3 S+ 0 0 156 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.272 120.3 39.9 -66.9 152.3 -5.0 5.8 7.8 20 20 A G T 3 S+ 0 0 42 -3,-0.1 16,-0.9 14,-0.0 2,-0.3 0.510 117.8 49.2 86.3 5.0 -8.3 4.4 6.6 21 21 A F B < -A 35 0A 26 -3,-0.8 2,-0.3 14,-0.2 14,-0.3 -0.856 69.4-145.5-173.4 135.7 -6.6 2.0 4.4 22 22 A Y - 0 0 102 12,-2.5 -5,-0.2 -2,-0.3 2,-0.2 -0.825 19.5-124.2-110.5 149.1 -3.7 -0.6 4.7 23 23 A b - 0 0 27 -7,-0.9 10,-0.3 -2,-0.3 2,-0.2 -0.559 13.3-162.4 -89.3 154.2 -1.2 -1.6 2.1 24 24 A S + 0 0 60 8,-2.5 8,-0.5 -2,-0.2 9,-0.0 -0.646 39.6 128.8-138.2 78.6 -0.5 -5.1 0.9 25 25 A d + 0 0 32 6,-0.2 3,-0.4 -2,-0.2 5,-0.1 0.897 27.8 157.8 -94.4 -59.3 2.8 -5.5 -0.9 26 26 A R S S- 0 0 191 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 -0.032 71.7 -48.3 60.1-169.5 4.5 -8.4 0.8 27 27 A S S S+ 0 0 128 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.673 112.5 103.6 -70.1 -16.8 7.3 -10.4 -0.9 28 28 A M S S- 0 0 71 -3,-0.4 0, 0.0 2,-0.1 0, 0.0 -0.282 80.8-125.3 -65.7 152.1 5.1 -10.6 -4.0 29 29 A P S S+ 0 0 130 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.786 92.2 79.1 -68.7 -28.0 5.9 -8.2 -7.0 30 30 A Y + 0 0 156 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.698 60.3 168.1 -86.8 130.7 2.3 -6.8 -6.9 31 31 A d + 0 0 33 -2,-0.4 2,-0.3 -22,-0.1 -6,-0.2 -1.000 4.5 142.6-144.6 143.3 1.5 -4.2 -4.3 32 32 A R - 0 0 167 -8,-0.5 -8,-2.5 -2,-0.3 -24,-0.1 -0.979 44.6 -86.9-168.5 166.6 -1.3 -1.8 -3.6 33 33 A c - 0 0 32 -2,-0.3 -10,-0.2 -10,-0.3 -9,-0.1 0.193 29.3-156.9 -66.9-166.0 -3.4 -0.2 -0.9 34 34 A R - 0 0 126 -11,-0.1 -12,-2.5 2,-0.0 -14,-0.0 -0.373 5.6-150.9 178.6 92.4 -6.6 -1.6 0.6 35 35 A N B -A 21 0A 109 -14,-0.3 -14,-0.2 1,-0.1 2,-0.2 -0.269 30.2-102.5 -67.6 156.6 -9.3 0.4 2.3 36 36 A N 0 0 105 -16,-0.9 -1,-0.1 1,-0.1 -2,-0.0 -0.523 360.0 360.0 -82.2 149.1 -11.4 -1.1 5.0 37 37 A S 0 0 155 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.340 360.0 360.0 -95.5 360.0 -14.9 -2.2 4.4