==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 28-JUN-95 1OAV . COMPND 2 MOLECULE: OMEGA-AGATOXIN IVA; . SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA; . AUTHOR J.I.KIM,S.KONISHI,H.IWAI,T.KOHNO,H.GOUDA,I.SHIMADA,K.SATO, . 48 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 12.5 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 . 2 4.2 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 . 8 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.1 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 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 K 0 0 236 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.9 -15.4 4.7 1.6 2 2 A K + 0 0 197 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.175 360.0 74.9 -88.6-171.8 -14.3 4.9 5.2 3 3 A K S S+ 0 0 164 1,-0.2 2,-0.3 14,-0.1 -1,-0.1 0.994 79.1 94.6 71.1 64.2 -12.6 2.2 7.3 4 4 A a S S- 0 0 29 13,-0.2 2,-0.6 8,-0.0 15,-0.3 -0.933 78.0 -91.8-164.3-174.5 -9.0 2.4 5.8 5 5 A I B -a 19 0A 29 13,-0.9 15,-1.3 -2,-0.3 5,-0.2 -0.877 25.2-179.3-119.8 103.9 -5.6 4.0 6.3 6 6 A A + 0 0 52 -2,-0.6 2,-0.8 13,-0.2 -1,-0.1 0.406 53.1 112.2 -80.0 6.8 -5.1 7.4 4.5 7 7 A K S > S- 0 0 158 4,-0.1 3,-0.5 1,-0.1 29,-0.2 -0.693 78.3-119.1 -83.7 110.4 -1.5 7.4 5.9 8 8 A D T 3 S+ 0 0 85 -2,-0.8 29,-0.2 1,-0.3 3,-0.2 -0.112 103.0 15.0 -43.9 139.2 0.9 7.0 2.9 9 9 A Y T 3 S+ 0 0 126 27,-1.4 2,-0.8 1,-0.2 -1,-0.3 0.954 93.0 174.8 56.5 44.8 2.9 3.8 3.6 10 10 A G B < -B 36 0B 7 26,-1.3 26,-1.3 -3,-0.5 -1,-0.2 -0.748 37.9-116.1 -89.7 110.9 0.3 2.9 6.2 11 11 A R + 0 0 178 -2,-0.8 24,-0.3 24,-0.3 2,-0.3 -0.147 55.2 156.6 -43.3 120.2 0.9 -0.6 7.6 12 12 A b - 0 0 7 22,-0.4 2,-0.3 14,-0.1 7,-0.1 -0.900 33.7-133.0-143.1 172.7 -2.1 -2.5 6.5 13 13 A K > - 0 0 131 4,-0.9 3,-1.2 -2,-0.3 12,-0.1 -0.954 22.9-123.4-131.5 151.6 -3.2 -6.2 5.9 14 14 A W T 3 S+ 0 0 181 -2,-0.3 -1,-0.1 1,-0.3 11,-0.0 0.670 119.7 36.1 -66.9 -11.7 -5.1 -7.8 3.0 15 15 A G T 3 S+ 0 0 79 2,-0.1 -1,-0.3 3,-0.0 2,-0.0 0.288 123.2 42.1-121.5 7.3 -7.5 -9.0 5.7 16 16 A G S < S- 0 0 32 -3,-1.2 -4,-0.1 1,-0.2 -2,-0.0 0.157 112.8 -10.3-120.9-120.9 -7.4 -6.0 8.0 17 17 A T - 0 0 48 -6,-0.1 -4,-0.9 1,-0.1 -1,-0.2 -0.753 61.4-157.9 -90.3 129.9 -7.5 -2.3 7.2 18 18 A P - 0 0 63 0, 0.0 -13,-0.9 0, 0.0 2,-0.4 0.247 33.1 -79.3 -80.7-151.8 -7.0 -1.3 3.6 19 19 A c B -a 5 0A 19 4,-0.4 -13,-0.2 -15,-0.3 6,-0.1 -0.890 28.5-159.0-117.8 149.1 -5.8 2.2 2.4 20 20 A a S S+ 0 0 50 -15,-1.3 -14,-0.2 -2,-0.4 -1,-0.2 0.921 88.2 51.7 -87.6 -75.1 -7.9 5.3 2.2 21 21 A R S S- 0 0 188 1,-0.2 -15,-0.1 -16,-0.1 -1,-0.1 0.761 130.0 -88.4 -35.5 -29.5 -6.2 7.7 -0.2 22 22 A G S S+ 0 0 48 -17,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.629 74.0 158.6 120.8 31.4 -6.2 4.7 -2.6 23 23 A R - 0 0 32 -18,-0.2 2,-0.6 15,-0.1 -4,-0.4 -0.377 40.1-121.8 -80.3 163.8 -2.9 3.0 -1.7 24 24 A G E -C 37 0B 32 13,-2.1 2,-1.9 -6,-0.1 13,-1.8 -0.918 17.5-130.0-111.1 118.7 -2.2 -0.6 -2.5 25 25 A b E +C 36 0B 22 -2,-0.6 2,-0.4 11,-0.3 11,-0.3 -0.419 37.9 178.9 -66.6 87.3 -1.4 -2.8 0.5 26 26 A I E -C 35 0B 90 -2,-1.9 9,-1.7 9,-1.9 -14,-0.1 -0.769 6.1-167.8 -94.2 134.8 1.8 -4.4 -0.9 27 27 A d - 0 0 17 -2,-0.4 6,-0.2 7,-0.2 7,-0.2 -0.357 43.0 -85.0-107.1-168.9 3.7 -6.9 1.3 28 28 A S - 0 0 68 4,-1.8 5,-0.1 -2,-0.1 6,-0.1 0.032 62.0-107.8 -88.1 30.9 7.2 -8.4 1.1 29 29 A I S S+ 0 0 159 1,-0.2 -1,-0.1 4,-0.1 4,-0.1 0.748 112.8 78.9 52.2 19.4 5.8 -11.2 -1.2 30 30 A M S S- 0 0 158 2,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.486 114.6 -96.9-129.7 -14.1 6.3 -13.4 1.8 31 31 A G S S+ 0 0 56 1,-0.4 2,-0.3 2,-0.0 3,-0.1 0.630 94.8 87.0 103.7 17.4 3.3 -12.6 4.1 32 32 A T + 0 0 87 1,-0.2 -4,-1.8 0, 0.0 -1,-0.4 -0.974 69.3 35.8-144.3 159.2 5.1 -10.0 6.3 33 33 A N S S- 0 0 111 -2,-0.3 2,-0.2 -6,-0.2 -1,-0.2 0.922 72.2-179.8 66.0 42.0 5.8 -6.3 6.3 34 34 A d + 0 0 26 -7,-0.2 -22,-0.4 -3,-0.1 2,-0.3 -0.525 6.1 164.9 -75.5 141.1 2.5 -5.4 4.6 35 35 A E E - C 0 26B 45 -9,-1.7 -9,-1.9 -24,-0.3 2,-0.9 -0.998 41.6-115.4-155.6 152.6 2.0 -1.7 4.0 36 36 A c E -BC 10 25B 0 -26,-1.3 -27,-1.4 -2,-0.3 -26,-1.3 -0.777 38.3-170.6 -92.5 106.1 -0.2 0.7 2.0 37 37 A K E - C 0 24B 47 -13,-1.8 -13,-2.1 -2,-0.9 2,-2.1 -0.658 37.7 -95.7 -97.0 155.9 2.0 2.4 -0.6 38 38 A P S S- 0 0 49 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 -0.445 75.8 -73.1 -70.2 80.1 0.9 5.4 -2.8 39 39 A R - 0 0 207 -2,-2.1 2,-0.5 -17,-0.2 -16,-0.1 0.815 68.2-178.3 28.8 98.9 -0.1 3.4 -5.9 40 40 A L + 0 0 106 -3,-0.2 -1,-0.1 -16,-0.1 2,-0.1 -0.972 18.5 153.4-127.9 122.9 3.3 2.3 -7.3 41 41 A I + 0 0 132 -2,-0.5 2,-0.7 2,-0.0 -2,-0.0 -0.525 8.4 152.7-147.6 76.6 3.7 0.3 -10.6 42 42 A M + 0 0 185 -2,-0.1 2,-0.0 2,-0.0 -2,-0.0 -0.857 16.6 172.5-110.8 102.9 7.0 0.8 -12.4 43 43 A E + 0 0 144 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.101 18.6 147.7 -91.9-163.9 7.9 -2.2 -14.5 44 44 A G > + 0 0 28 4,-0.1 4,-1.9 -2,-0.0 -1,-0.1 0.019 52.7 89.3 162.5 -39.7 10.8 -2.6 -17.0 45 45 A L T 4 S+ 0 0 160 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.844 106.2 34.1 -52.7 -30.3 12.1 -6.2 -17.0 46 46 A G T 4 S+ 0 0 57 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.750 115.3 57.9 -96.1 -27.5 9.4 -6.8 -19.7 47 47 A L T 4 0 0 154 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.998 360.0 360.0 -66.4 -63.4 9.6 -3.4 -21.4 48 48 A A < 0 0 145 -4,-1.9 -4,-0.1 0, 0.0 0, 0.0 -0.238 360.0 360.0 -48.4 360.0 13.4 -3.5 -22.3