==== 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 TOXIN 09-SEP-93 1OMA . COMPND 2 MOLECULE: OMEGA-AGA-IVB; . SOURCE 2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA; . AUTHOR H.YU,M.K.ROSEN,S.L.SCHREIBER . 48 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 41.7 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 . 7 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.1 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 . 4 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.3 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 . 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 E 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.7 4.9 -15.4 -16.8 2 2 A D + 0 0 136 14,-0.1 0, 0.0 2,-0.0 0, 0.0 0.180 360.0 150.8-175.0 30.0 2.6 -14.9 -13.7 3 3 A N - 0 0 117 1,-0.1 2,-0.3 14,-0.1 15,-0.2 0.247 51.2 -89.6 -56.0-164.6 -0.9 -16.1 -14.6 4 4 A a - 0 0 41 13,-0.1 2,-1.5 8,-0.0 15,-0.2 -0.811 27.0-115.5-113.4 156.2 -3.1 -17.4 -11.8 5 5 A I B +a 19 0A 12 13,-2.1 15,-0.5 -2,-0.3 16,-0.3 -0.613 47.8 155.2 -89.8 82.9 -3.5 -21.0 -10.6 6 6 A A + 0 0 63 -2,-1.5 2,-0.3 13,-0.2 -1,-0.2 0.071 40.8 106.7 -95.5 27.0 -7.2 -21.7 -11.5 7 7 A E S > S- 0 0 123 4,-0.1 3,-1.9 1,-0.0 2,-0.3 -0.747 84.3 -94.7-104.2 153.7 -6.6 -25.4 -11.7 8 8 A D T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.3 29,-0.1 -0.476 110.7 -8.6 -66.4 124.3 -7.8 -28.0 -9.2 9 9 A Y T 3 S- 0 0 116 27,-0.7 -1,-0.3 -2,-0.3 28,-0.1 0.699 93.9-178.8 62.4 13.0 -4.9 -28.7 -6.7 10 10 A G < - 0 0 11 -3,-1.9 26,-1.7 25,-0.2 -1,-0.2 -0.178 36.7-106.3 -46.1 127.9 -2.9 -26.6 -9.2 11 11 A K E -B 35 0B 140 24,-0.2 24,-0.3 -3,-0.1 2,-0.2 -0.398 48.3-174.1 -60.7 125.0 0.7 -26.5 -7.7 12 12 A b E -B 34 0B 5 22,-0.7 22,-0.8 14,-0.2 2,-0.3 -0.516 19.4-140.6-112.5-176.0 1.2 -23.0 -6.3 13 13 A T > - 0 0 92 4,-1.0 3,-1.5 -2,-0.2 2,-0.5 -0.773 24.0-121.9-150.9 101.5 4.2 -21.2 -4.8 14 14 A W T 3 S+ 0 0 185 -2,-0.3 4,-0.1 1,-0.2 3,-0.0 -0.139 98.2 65.2 -43.5 94.9 3.9 -18.9 -1.7 15 15 A G T 3 S- 0 0 84 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.128 121.2 -36.6 175.8 -37.8 5.3 -15.8 -3.5 16 16 A G S < S+ 0 0 58 -3,-1.5 2,-0.7 1,-0.2 -2,-0.1 0.045 102.0 92.4-167.1 -70.0 3.0 -14.7 -6.3 17 17 A T + 0 0 55 -4,-0.1 -4,-1.0 -13,-0.1 2,-0.2 -0.161 60.5 175.0 -45.6 92.8 1.2 -17.4 -8.4 18 18 A K - 0 0 137 -2,-0.7 -13,-2.1 -15,-0.2 4,-0.1 -0.695 39.7 -86.9-103.8 159.9 -1.9 -17.4 -6.2 19 19 A c B > -a 5 0A 1 4,-0.4 3,-1.8 -2,-0.2 -13,-0.2 -0.362 32.2-130.3 -63.2 140.1 -5.1 -19.3 -6.9 20 20 A a T 3 S+ 0 0 61 -15,-0.5 -1,-0.1 1,-0.3 -14,-0.1 0.888 110.7 52.3 -60.8 -35.5 -7.5 -17.4 -9.2 21 21 A R T 3 S- 0 0 184 -16,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.142 119.1-113.3 -86.9 23.9 -10.3 -18.1 -6.7 22 22 A G < + 0 0 41 -3,-1.8 -2,-0.1 1,-0.1 -4,-0.0 0.944 55.5 171.7 44.0 77.8 -8.2 -16.7 -3.9 23 23 A R - 0 0 61 -4,-0.1 2,-0.6 15,-0.0 -4,-0.4 -0.910 42.3-100.0-120.9 149.6 -7.8 -20.0 -2.0 24 24 A P - 0 0 84 0, 0.0 13,-0.8 0, 0.0 2,-0.2 -0.491 42.0-158.1 -66.0 108.5 -5.6 -20.9 1.0 25 25 A b E -C 36 0B 24 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.622 11.5-173.5 -89.3 150.7 -2.5 -22.7 -0.5 26 26 A R E -C 35 0B 117 9,-1.0 9,-1.7 -2,-0.2 2,-0.2 -0.897 7.6-171.7-137.8 168.4 -0.4 -25.0 1.6 27 27 A d E -C 34 0B 39 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.802 29.0 -90.7-145.8-172.4 2.9 -27.0 1.4 28 28 A S > - 0 0 77 4,-0.8 3,-0.6 5,-0.6 -1,-0.1 -0.132 54.1 -82.8 -93.3-164.6 4.9 -29.6 3.3 29 29 A M T 3 S+ 0 0 181 1,-0.2 -1,-0.0 2,-0.1 0, 0.0 0.022 118.0 72.8 -90.7 31.3 7.6 -29.0 5.9 30 30 A I T 3 S- 0 0 112 2,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.617 102.0-119.3-115.2 -22.7 10.2 -28.5 3.1 31 31 A G S < S+ 0 0 64 -3,-0.6 2,-0.3 1,-0.3 3,-0.1 0.689 84.5 78.0 90.8 18.6 9.2 -25.1 1.8 32 32 A T + 0 0 84 1,-0.2 -4,-0.8 -19,-0.0 -1,-0.3 -0.986 63.5 49.1-152.7 161.3 8.4 -26.4 -1.7 33 33 A N - 0 0 117 -2,-0.3 -5,-0.6 -21,-0.1 2,-0.3 0.949 62.7-178.9 70.9 86.7 5.7 -28.3 -3.6 34 34 A d E -BC 12 27B 7 -22,-0.8 -22,-0.7 -7,-0.2 2,-0.4 -0.840 14.0-156.3-117.5 156.8 2.4 -26.6 -2.7 35 35 A E E -BC 11 26B 80 -9,-1.7 -9,-1.0 -2,-0.3 2,-0.4 -0.989 20.9-122.7-135.7 130.8 -1.2 -27.5 -3.9 36 36 A c E - C 0 25B 2 -26,-1.7 -27,-0.7 -2,-0.4 -11,-0.2 -0.541 27.9-149.3 -71.0 123.6 -4.2 -25.2 -4.1 37 37 A T - 0 0 43 -13,-0.8 2,-0.0 -2,-0.4 -1,-0.0 -0.853 13.0-127.2-100.2 123.7 -7.0 -26.7 -1.9 38 38 A P + 0 0 44 0, 0.0 -15,-0.0 0, 0.0 -30,-0.0 -0.343 36.1 163.9 -64.3 141.5 -10.5 -26.0 -3.0 39 39 A R + 0 0 189 -2,-0.0 -2,-0.0 2,-0.0 0, 0.0 -0.304 55.1 46.6-159.7 66.3 -12.8 -24.5 -0.3 40 40 A L + 0 0 133 2,-0.1 -17,-0.0 -17,-0.0 0, 0.0 0.004 54.0 161.7-165.0 -76.3 -16.0 -22.9 -1.6 41 41 A I - 0 0 134 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 0.239 50.9 -79.7 54.7 166.8 -18.1 -24.8 -4.2 42 42 A M - 0 0 168 1,-0.0 2,-0.3 3,-0.0 -2,-0.1 -0.489 42.6-112.1 -95.7 170.6 -21.8 -23.7 -4.7 43 43 A E S S+ 0 0 172 -2,-0.1 2,-0.5 2,-0.0 -1,-0.0 -0.745 81.2 21.8-102.7 152.0 -24.7 -24.6 -2.5 44 44 A G S S- 0 0 66 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.845 102.4 -60.1 100.4-125.6 -27.6 -26.9 -3.5 45 45 A L - 0 0 167 -2,-0.5 3,-0.1 1,-0.3 -3,-0.0 -0.630 54.5 -81.2-140.7-159.7 -26.9 -29.2 -6.4 46 46 A S S S- 0 0 92 1,-0.2 -1,-0.3 -2,-0.2 -3,-0.0 0.096 70.9 -47.7 -92.7-149.7 -25.9 -29.2 -10.1 47 47 A F 0 0 181 1,-0.0 -1,-0.2 -2,-0.0 0, 0.0 0.153 360.0 360.0 -67.5-164.3 -28.1 -28.5 -13.1 48 48 A A 0 0 147 -3,-0.1 -3,-0.1 0, 0.0 -1,-0.0 -0.282 360.0 360.0 48.1 360.0 -31.5 -30.3 -13.6