==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 05-JAN-02 1KQH . COMPND 2 MOLECULE: ACTX-HI:OB4219; . SOURCE 2 ORGANISM_SCIENTIFIC: HADRONYCHE INFENSA; . AUTHOR K.J.ROSENGREN,D.WILSON,N.L.DALY,P.F.ALEWOOD,D.J.CRAIK . 38 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 44.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 21.1 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 . 3 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.9 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 0 2 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 0 203 0, 0.0 15,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.6 -12.8 -3.7 0.5 2 2 A a - 0 0 55 13,-0.1 2,-0.4 16,-0.0 15,-0.3 -0.985 360.0-100.1-161.0 157.5 -9.0 -3.6 0.4 3 3 A L B -a 17 0A 25 13,-2.2 15,-3.1 -2,-0.3 18,-0.1 -0.694 37.5-144.1 -85.7 130.5 -6.1 -2.3 -1.6 4 4 A A > - 0 0 45 -2,-0.4 3,-1.0 1,-0.2 2,-0.2 0.079 44.0 -47.3 -78.9-166.4 -4.3 -4.8 -3.9 5 5 A E T 3 S+ 0 0 97 1,-0.3 29,-0.2 12,-0.1 -1,-0.2 -0.461 126.0 8.1 -71.0 134.7 -0.6 -5.1 -4.8 6 6 A A T 3 S+ 0 0 59 27,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.852 95.1 150.4 63.2 38.8 1.1 -1.8 -5.7 7 7 A A E < -B 33 0B 23 26,-1.3 26,-3.1 -3,-1.0 -1,-0.2 -0.866 51.5-109.9-106.5 135.9 -1.9 0.2 -4.7 8 8 A D E -B 32 0B 86 -2,-0.4 2,-0.3 24,-0.3 24,-0.3 -0.299 41.0-169.4 -59.5 139.1 -1.8 3.7 -3.4 9 9 A b E +B 31 0B 3 22,-2.7 22,-0.6 15,-0.2 5,-0.1 -0.988 16.2 174.8-138.9 148.2 -2.6 4.0 0.3 10 10 A S - 0 0 29 -2,-0.3 5,-0.2 5,-0.2 4,-0.0 -0.988 39.4-116.8-149.0 145.5 -3.4 6.7 2.8 11 11 A P S S+ 0 0 110 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.879 111.5 1.4 -50.0 -47.3 -4.5 6.7 6.5 12 12 A W S S+ 0 0 228 1,-0.1 2,-2.1 -3,-0.1 -2,-0.1 0.785 130.9 57.5-108.8 -51.5 -7.8 8.4 5.8 13 13 A S S S+ 0 0 105 -4,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.360 112.7 33.1 -80.3 58.7 -7.9 8.9 2.0 14 14 A G S S- 0 0 41 -2,-2.1 2,-0.3 -3,-0.2 -5,-0.1 -0.664 79.3-105.0-167.4-135.6 -7.5 5.2 1.2 15 15 A D - 0 0 46 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.958 41.8 -72.9-168.5 172.0 -8.3 1.8 2.5 16 16 A S - 0 0 78 -15,-0.3 -13,-2.2 -2,-0.3 2,-0.2 -0.583 52.9-113.6 -79.9 139.6 -6.8 -1.2 4.2 17 17 A c B -a 3 0A 12 -15,-0.3 -13,-0.2 -2,-0.3 6,-0.1 -0.516 32.0-107.5 -74.7 140.6 -4.4 -3.3 2.1 18 18 A a > - 0 0 27 -15,-3.1 3,-1.6 -2,-0.2 -1,-0.1 -0.300 60.8 -63.3 -62.3 147.6 -5.5 -6.8 1.2 19 19 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.578 117.5 13.2 -85.6 148.6 -3.5 -9.4 3.0 20 20 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.868 106.0 96.9 -95.6 32.8 -0.8 -10.2 3.0 21 21 A Y < - 0 0 55 -3,-1.6 2,-0.4 -18,-0.1 12,-0.1 -0.466 57.5-155.2 -75.3 145.5 0.1 -7.0 1.2 22 22 A L E -C 34 0B 115 12,-2.1 12,-2.9 -2,-0.1 2,-0.3 -0.975 20.0-111.8-128.4 140.5 1.2 -4.1 3.3 23 23 A b E -C 33 0B 38 -2,-0.4 2,-0.6 10,-0.3 10,-0.3 -0.511 33.4-148.1 -68.3 122.6 1.2 -0.3 2.8 24 24 A S E +C 32 0B 33 8,-2.2 8,-1.9 -2,-0.3 2,-0.3 -0.857 21.4 178.1-101.7 124.3 4.7 1.0 2.3 25 25 A d + 0 0 73 -2,-0.6 2,-2.4 6,-0.2 6,-0.1 -0.630 5.1 174.3-119.5 66.3 5.5 4.5 3.5 26 26 A I - 0 0 124 -2,-0.3 3,-0.1 2,-0.2 -2,-0.0 -0.140 69.6 -84.4 -70.8 45.6 9.3 4.6 2.7 27 27 A F S S+ 0 0 202 -2,-2.4 2,-0.4 1,-0.2 -1,-0.2 0.694 107.0 104.8 59.6 21.3 9.4 8.3 3.7 28 28 A F S S- 0 0 156 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 -0.995 75.1 -87.8-135.3 139.3 8.2 9.2 0.2 29 29 A Y S S+ 0 0 205 -2,-0.4 2,-0.1 -3,-0.1 -4,-0.0 -0.735 97.6 35.5 -90.7 134.9 4.8 10.3 -1.1 30 30 A P S S- 0 0 58 0, 0.0 -4,-0.2 0, 0.0 2,-0.1 0.579 74.9-143.4 -98.9 168.7 2.7 8.5 -1.9 31 31 A d E -B 9 0B 22 -22,-0.6 -22,-2.7 -6,-0.1 2,-0.3 -0.483 21.1-170.1 -79.5 151.4 2.5 5.3 0.2 32 32 A S E -BC 8 24B 16 -8,-1.9 -8,-2.2 -24,-0.3 -24,-0.3 -0.974 26.0-116.2-150.5 134.4 1.5 2.1 -1.6 33 33 A c E -BC 7 23B 0 -26,-3.1 -27,-2.0 -2,-0.3 -26,-1.3 -0.484 38.1-167.0 -67.4 130.0 0.6 -1.4 -0.6 34 34 A R E - C 0 22B 113 -12,-2.9 -12,-2.1 -29,-0.2 3,-0.1 -0.856 27.3 -91.0-119.9 156.1 3.2 -3.9 -1.8 35 35 A P > - 0 0 44 0, 0.0 3,-0.8 0, 0.0 2,-0.2 -0.244 51.3-100.4 -61.7 149.9 3.1 -7.7 -2.1 36 36 A K T 3 S+ 0 0 116 1,-0.2 -15,-0.1 2,-0.1 -31,-0.0 -0.498 96.6 71.8 -78.5 144.9 4.5 -9.5 0.9 37 37 A G T 3 0 0 67 -2,-0.2 -1,-0.2 -3,-0.1 -16,-0.0 -0.171 360.0 360.0 142.1 -33.2 8.0 -10.8 0.7 38 38 A W < 0 0 236 -3,-0.8 -2,-0.1 0, 0.0 0, 0.0 0.560 360.0 360.0 -86.0 360.0 9.8 -7.5 1.0