==== 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 1V91 . COMPND 2 MOLECULE: DELTA-PALUTOXIN IT2; . 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) . 3136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 40.5 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 . 7 18.9 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 . 1 2.7 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 . 0 0.0 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 . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 163 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 -11.4 4.6 6.0 2 2 A a - 0 0 74 13,-0.1 2,-0.3 1,-0.0 15,-0.2 -0.718 360.0 -99.9-112.6 164.0 -8.9 2.2 4.5 3 3 A V B -a 17 0A 14 13,-0.7 15,-0.9 -2,-0.2 3,-0.1 -0.595 36.2-125.8 -84.3 142.8 -7.2 2.0 1.1 4 4 A G - 0 0 36 -2,-0.3 2,-0.5 1,-0.2 3,-0.4 0.260 47.9 -57.4 -68.1-160.4 -8.5 -0.4 -1.5 5 5 A D S S+ 0 0 83 1,-0.2 29,-0.3 29,-0.1 -1,-0.2 -0.738 122.5 7.5 -89.6 128.2 -6.4 -3.1 -3.3 6 6 A G S S+ 0 0 36 27,-1.4 2,-0.3 -2,-0.5 28,-0.2 0.334 90.8 142.3 86.9 -7.9 -3.4 -1.8 -5.3 7 7 A Q E -B 33 0B 106 26,-0.7 26,-1.5 -3,-0.4 -1,-0.3 -0.519 52.6-122.6 -70.5 126.4 -3.8 1.7 -3.8 8 8 A R E -B 32 0B 110 -2,-0.3 24,-0.3 24,-0.3 2,-0.2 -0.404 28.1-106.1 -70.3 144.6 -0.5 3.3 -3.1 9 9 A b - 0 0 1 22,-1.3 22,-0.3 15,-0.2 -1,-0.1 -0.498 49.1 -85.6 -72.9 136.7 0.2 4.4 0.5 10 10 A A S > S- 0 0 42 -2,-0.2 4,-0.7 6,-0.1 3,-0.3 0.082 91.5 -29.5 -38.2 149.8 0.1 8.2 1.0 11 11 A S T 4 S- 0 0 77 1,-0.2 20,-0.2 2,-0.1 -1,-0.1 -0.060 127.4 -38.5 37.2 -91.3 3.3 10.1 0.3 12 12 A W T 4 S- 0 0 175 -2,-0.2 19,-0.3 18,-0.2 -1,-0.2 0.553 129.3 -15.4-130.8 -29.6 5.7 7.2 1.2 13 13 A S T 4 S+ 0 0 88 -3,-0.3 -2,-0.1 -5,-0.1 -3,-0.1 -0.161 86.9 121.0-179.5 71.3 4.2 5.5 4.2 14 14 A G < + 0 0 47 -4,-0.7 -3,-0.1 1,-0.1 -5,-0.1 0.779 62.8 37.2-103.6 -84.6 1.4 7.4 6.1 15 15 A P S S- 0 0 62 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.115 77.2-121.4 -67.4 168.7 -2.0 5.7 6.3 16 16 A Y - 0 0 199 1,-0.1 -13,-0.7 -7,-0.1 2,-0.2 -0.313 23.7-101.9-101.4-173.3 -2.6 2.0 6.8 17 17 A c B -a 3 0A 25 1,-0.2 3,-0.1 4,-0.2 -13,-0.1 -0.667 41.5 -83.5-109.8 166.2 -4.4 -0.7 4.8 18 18 A a - 0 0 27 -15,-0.9 2,-1.6 -2,-0.2 3,-0.3 0.207 68.4 -65.5 -53.4-176.4 -7.8 -2.4 5.2 19 19 A D S S+ 0 0 174 1,-0.2 -1,-0.2 -17,-0.0 3,-0.1 -0.589 129.1 11.2 -80.0 85.6 -8.3 -5.3 7.5 20 20 A G S S+ 0 0 27 -2,-1.6 16,-0.3 1,-0.5 -1,-0.2 0.066 105.1 100.4 136.2 -25.6 -6.2 -7.9 5.8 21 21 A Y - 0 0 72 -3,-0.3 -1,-0.5 14,-0.2 14,-0.3 -0.344 51.4-156.4 -85.6 170.2 -4.2 -5.9 3.2 22 22 A Y E -C 34 0B 149 12,-3.2 12,-2.1 13,-0.3 2,-0.5 -0.817 16.7-117.2-137.8 176.9 -0.6 -4.7 3.4 23 23 A b E -C 33 0B 51 -2,-0.2 10,-0.3 10,-0.2 2,-0.1 -0.929 27.0-166.1-126.7 108.2 1.6 -2.0 2.0 24 24 A S E -C 32 0B 68 8,-2.6 8,-1.8 -2,-0.5 -15,-0.2 -0.391 8.7-162.5 -86.0 166.4 4.6 -3.0 -0.1 25 25 A d + 0 0 74 6,-0.2 3,-0.3 -2,-0.1 6,-0.1 -0.377 20.1 167.0-150.2 64.4 7.5 -0.7 -1.0 26 26 A R - 0 0 193 1,-0.2 2,-2.8 4,-0.1 0, 0.0 0.283 67.1 -36.2 -61.5-162.4 9.5 -2.2 -3.9 27 27 A S S S+ 0 0 125 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.342 119.4 73.4 -63.1 75.1 12.1 -0.1 -5.9 28 28 A M S S- 0 0 130 -2,-2.8 0, 0.0 -3,-0.3 0, 0.0 -0.878 77.7-125.4 178.7 149.6 10.1 3.1 -5.6 29 29 A P S S+ 0 0 95 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.920 93.9 77.3 -71.3 -45.7 9.0 5.8 -3.1 30 30 A Y S S- 0 0 110 -22,-0.1 -18,-0.2 -17,-0.0 -4,-0.1 -0.537 80.9-148.9 -71.0 95.4 5.3 5.5 -3.7 31 31 A d - 0 0 7 -2,-1.3 -22,-1.3 -19,-0.3 2,-0.4 -0.212 8.8-127.7 -62.9 155.2 4.5 2.3 -1.7 32 32 A R E -BC 8 24B 68 -8,-1.8 -8,-2.6 -24,-0.3 2,-0.5 -0.874 13.5-155.5-111.2 142.6 1.7 0.1 -2.8 33 33 A c E +BC 7 23B 0 -26,-1.5 -27,-1.4 -2,-0.4 -26,-0.7 -0.967 32.1 132.3-119.8 123.7 -1.2 -1.2 -0.7 34 34 A R E - C 0 22B 136 -12,-2.1 -12,-3.2 -2,-0.5 -29,-0.1 -0.948 55.5 -52.6-157.0 174.2 -3.1 -4.4 -1.6 35 35 A N - 0 0 64 -2,-0.3 -13,-0.3 -14,-0.3 -1,-0.2 0.138 54.4-110.8 -45.9 169.0 -4.4 -7.7 -0.3 36 36 A N 0 0 75 -16,-0.3 -15,-0.1 1,-0.2 -1,-0.0 0.994 360.0 360.0 -69.6 -76.7 -2.2 -10.0 1.7 37 37 A S 0 0 153 -16,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.932 360.0 360.0-154.4 360.0 -1.7 -13.0 -0.6