==== 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 1OAW . 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) . 4289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 43.8 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 . 7 14.6 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 . 7 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.2 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+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 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 K > 0 0 213 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.8 -8.5 3.4 13.0 2 2 A K T 3 - 0 0 167 1,-0.2 18,-0.0 3,-0.1 3,-0.0 -0.084 360.0 -66.4 73.8 177.7 -11.2 4.3 10.4 3 3 A K T 3 S+ 0 0 187 14,-0.1 2,-0.3 16,-0.0 -1,-0.2 0.142 116.9 2.1 -89.8 23.0 -12.2 1.9 7.6 4 4 A a S < S- 0 0 17 -3,-0.6 2,-0.5 13,-0.1 15,-0.2 -0.977 84.0 -87.2-179.8-172.2 -8.7 2.2 6.0 5 5 A I - 0 0 28 -2,-0.3 15,-1.7 1,-0.1 18,-0.2 -0.898 23.9-179.5-125.9 107.0 -5.3 3.8 6.4 6 6 A A + 0 0 67 -2,-0.5 2,-0.9 13,-0.2 -1,-0.1 0.383 56.2 109.1 -82.9 7.5 -4.8 7.3 4.9 7 7 A K S S- 0 0 150 4,-0.1 3,-0.4 1,-0.0 29,-0.2 -0.726 77.8-123.8 -87.5 106.8 -1.2 7.2 6.2 8 8 A D S S+ 0 0 93 -2,-0.9 29,-0.2 1,-0.3 3,-0.2 -0.111 101.0 15.4 -44.6 141.5 1.1 6.8 3.1 9 9 A Y S S+ 0 0 105 27,-1.6 2,-0.7 1,-0.2 -1,-0.3 0.966 95.8 171.4 53.8 47.7 3.2 3.7 3.6 10 10 A G E -A 36 0A 4 26,-1.1 26,-1.8 -3,-0.4 -1,-0.2 -0.818 42.7-109.3 -97.4 116.3 0.7 2.7 6.3 11 11 A R E +A 35 0A 184 -2,-0.7 24,-0.3 24,-0.3 2,-0.2 -0.101 58.2 159.4 -40.0 117.4 1.1 -0.8 7.7 12 12 A b - 0 0 8 22,-1.0 2,-0.3 14,-0.1 22,-0.2 -0.608 30.3-134.5-131.3-166.8 -2.0 -2.6 6.3 13 13 A K > - 0 0 97 4,-1.4 3,-1.9 -2,-0.2 12,-0.1 -0.978 20.9-128.9-156.5 141.7 -3.2 -6.2 5.6 14 14 A W T 3 S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.3 11,-0.0 0.680 119.0 37.7 -65.5 -11.9 -4.9 -8.0 2.7 15 15 A G T 3 S+ 0 0 78 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.005 126.1 30.9-126.4 28.6 -7.3 -9.2 5.4 16 16 A G S < S- 0 0 49 -3,-1.9 -4,-0.1 1,-0.1 -2,-0.0 -0.244 114.2 -3.0-147.2-121.7 -7.5 -6.1 7.6 17 17 A T - 0 0 50 1,-0.1 -4,-1.4 -2,-0.1 -13,-0.1 -0.774 58.9-172.3 -90.3 120.5 -7.3 -2.3 6.9 18 18 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.715 42.3 -64.2 -77.5-116.4 -6.5 -1.6 3.2 19 19 A c - 0 0 18 4,-0.2 -13,-0.2 -15,-0.2 6,-0.1 -0.974 29.7-152.1-139.8 153.7 -5.8 2.1 2.3 20 20 A a S S+ 0 0 38 -15,-1.7 -14,-0.2 -2,-0.3 -1,-0.2 0.915 93.9 47.1 -87.9 -76.9 -7.9 5.3 2.4 21 21 A R S S- 0 0 216 1,-0.2 -1,-0.1 -16,-0.2 -15,-0.1 0.776 129.1 -90.9 -38.3 -28.5 -6.6 7.6 -0.2 22 22 A G S S+ 0 0 64 16,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.664 74.2 154.9 118.1 33.7 -6.7 4.6 -2.5 23 23 A R - 0 0 36 -18,-0.2 2,-0.5 15,-0.1 -4,-0.2 -0.122 44.6-109.4 -79.5-175.9 -3.2 3.1 -2.1 24 24 A G E -B 37 0A 34 13,-2.0 13,-1.8 -6,-0.1 2,-1.3 -0.952 18.9-132.6-122.6 117.9 -2.3 -0.6 -2.6 25 25 A b E +B 36 0A 20 -2,-0.5 2,-0.5 11,-0.2 11,-0.3 -0.490 37.2 175.0 -68.7 97.2 -1.4 -2.7 0.3 26 26 A I E -B 35 0A 95 9,-2.1 9,-1.6 -2,-1.3 -14,-0.1 -0.889 8.0-170.4-108.1 134.0 1.7 -4.4 -1.0 27 27 A d - 0 0 19 -2,-0.5 6,-0.2 7,-0.2 7,-0.2 -0.379 42.7 -91.3-108.3-169.3 3.8 -6.7 1.3 28 28 A S - 0 0 67 4,-1.7 5,-0.1 -2,-0.1 6,-0.1 0.103 67.4 -97.6 -92.2 25.5 7.2 -8.3 0.9 29 29 A I S S+ 0 0 153 3,-0.2 4,-0.1 1,-0.1 -1,-0.0 0.696 114.1 88.1 69.6 15.7 5.6 -11.4 -0.7 30 30 A M S S- 0 0 141 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.124 107.0-106.4-129.4 20.1 5.8 -13.1 2.8 31 31 A G S S+ 0 0 44 1,-0.2 2,-0.2 2,-0.1 3,-0.2 0.710 95.4 95.0 63.3 14.3 2.5 -11.9 4.3 32 32 A T + 0 0 73 1,-0.2 -4,-1.7 -19,-0.0 -2,-0.4 -0.772 65.5 34.4-128.2 175.3 4.7 -9.6 6.4 33 33 A N S S+ 0 0 97 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.869 77.7 176.3 48.5 35.1 5.8 -6.0 6.2 34 34 A d + 0 0 5 -3,-0.2 -22,-1.0 -22,-0.2 2,-0.3 -0.543 4.5 160.6 -73.1 131.1 2.4 -5.2 4.6 35 35 A E E -AB 11 26A 48 -9,-1.6 -9,-2.1 -24,-0.3 2,-0.6 -0.999 42.6-114.5-151.1 148.8 2.0 -1.5 4.0 36 36 A c E -AB 10 25A 0 -26,-1.8 -27,-1.6 -2,-0.3 -26,-1.1 -0.741 33.8-162.5 -87.1 118.5 -0.2 0.7 1.8 37 37 A K E - B 0 24A 86 -13,-1.8 -13,-2.0 -2,-0.6 -29,-0.1 -0.842 12.2-129.7-104.3 139.9 1.9 2.5 -0.8 38 38 A P > - 0 0 38 0, 0.0 2,-1.0 0, 0.0 3,-0.6 -0.145 32.5 -97.0 -76.2 174.4 0.6 5.6 -2.7 39 39 A R T 3 S+ 0 0 217 1,-0.2 3,-0.3 -16,-0.0 -16,-0.0 -0.264 92.5 107.3 -89.8 51.7 0.8 6.0 -6.5 40 40 A L T 3 S+ 0 0 145 -2,-1.0 2,-0.2 1,-0.2 -1,-0.2 0.523 76.8 48.4-103.5 -7.9 4.0 8.0 -6.4 41 41 A I S < S- 0 0 85 -3,-0.6 -1,-0.2 2,-0.1 4,-0.2 -0.566 75.7-178.3-130.7 70.8 6.2 5.2 -7.8 42 42 A M + 0 0 127 -3,-0.3 3,-0.5 -2,-0.2 -2,-0.1 0.221 58.4 25.7 -52.7-169.3 4.5 3.8 -10.9 43 43 A E S S- 0 0 147 1,-0.2 2,-0.3 3,-0.0 3,-0.1 -0.012 109.4 -76.9 42.7-153.9 6.2 0.9 -12.7 44 44 A G - 0 0 35 1,-0.2 3,-0.5 0, 0.0 -1,-0.2 -0.690 39.4-119.8-143.7 88.2 8.4 -1.2 -10.3 45 45 A L S S+ 0 0 177 -3,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.372 116.4 32.9 11.8 -70.1 11.8 0.5 -9.5 46 46 A G S S- 0 0 54 1,-0.2 2,-0.3 2,-0.2 -1,-0.3 -0.247 101.2-136.3 -97.2 48.5 13.6 -2.5 -11.0 47 47 A L 0 0 121 -3,-0.5 -1,-0.2 -2,-0.4 -2,-0.0 0.004 360.0 360.0 34.6 -86.2 11.0 -3.3 -13.7 48 48 A A 0 0 155 -2,-0.3 -2,-0.2 -3,-0.1 -1,-0.1 0.767 360.0 360.0 -88.7 360.0 11.0 -7.1 -13.1