==== 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 06-JAN-02 1KQI . 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) . 3165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 47.4 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 . 7 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.6 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 . 1 2.6 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 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 0 208 0, 0.0 15,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.6 -13.8 -3.2 -2.5 2 2 A a - 0 0 54 13,-0.1 2,-0.4 16,-0.0 15,-0.3 -0.981 360.0 -89.3-161.3 159.8 -10.1 -3.0 -1.7 3 3 A L B -a 17 0A 29 13,-2.4 15,-3.4 -2,-0.3 18,-0.1 -0.634 43.8-147.3 -79.2 126.2 -6.8 -2.0 -3.2 4 4 A A > - 0 0 45 -2,-0.4 3,-1.2 1,-0.2 2,-0.2 0.070 44.1 -43.9 -78.9-166.9 -5.0 -4.8 -5.0 5 5 A E T 3 S+ 0 0 104 1,-0.3 29,-0.2 12,-0.1 -1,-0.2 -0.441 128.5 7.6 -67.6 129.9 -1.3 -5.5 -5.4 6 6 A A T 3 S+ 0 0 57 27,-2.7 2,-0.4 1,-0.2 -1,-0.3 0.844 93.6 150.7 66.9 39.0 0.8 -2.4 -6.2 7 7 A A E < -B 33 0B 20 26,-1.4 26,-3.2 -3,-1.2 -1,-0.2 -0.870 50.8-111.4-105.4 133.2 -2.2 -0.1 -5.6 8 8 A D E -B 32 0B 130 -2,-0.4 24,-0.3 24,-0.3 2,-0.2 -0.308 34.4-130.4 -60.8 136.9 -1.8 3.5 -4.4 9 9 A b - 0 0 23 22,-2.2 7,-0.1 15,-0.1 -1,-0.1 -0.581 21.1-103.1 -91.1 155.4 -3.1 4.0 -0.9 10 10 A S - 0 0 45 5,-0.6 4,-0.2 -2,-0.2 -1,-0.1 -0.598 20.1-144.3 -79.1 132.1 -5.4 6.8 0.2 11 11 A P S S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.870 89.9 -12.4 -63.3 -41.1 -3.7 9.7 2.1 12 12 A W S S+ 0 0 237 1,-0.4 2,-0.3 -3,-0.0 -2,-0.1 0.612 134.4 7.5-129.6 -43.2 -6.7 10.3 4.5 13 13 A S S S+ 0 0 113 -4,-0.1 -1,-0.4 3,-0.0 2,-0.3 -0.995 81.3 83.4-149.6 141.2 -9.7 8.5 3.2 14 14 A G S S- 0 0 48 -2,-0.3 2,-0.3 -4,-0.2 -5,-0.1 -0.914 74.3 -12.4 168.9-139.4 -10.4 5.9 0.5 15 15 A D - 0 0 45 -2,-0.3 -5,-0.6 -13,-0.0 2,-0.3 -0.666 57.6-126.7 -95.6 150.4 -10.2 2.2 -0.1 16 16 A S - 0 0 93 -15,-0.4 -13,-2.4 -2,-0.3 3,-0.1 -0.663 33.7 -95.7 -94.5 150.0 -8.4 -0.2 2.1 17 17 A c B -a 3 0A 38 -15,-0.3 -13,-0.2 -2,-0.3 2,-0.1 -0.350 42.1-107.5 -64.3 142.4 -5.7 -2.7 0.9 18 18 A a > - 0 0 24 -15,-3.4 3,-1.8 1,-0.1 -1,-0.1 -0.422 59.4 -65.5 -68.8 142.3 -6.9 -6.2 0.0 19 19 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.525 115.4 9.5 -79.1 144.3 -5.7 -8.8 2.5 20 20 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.862 100.9 105.4-100.9 32.5 -3.2 -9.7 3.2 21 21 A Y < - 0 0 64 -3,-1.8 2,-0.4 -18,-0.1 15,-0.1 -0.304 55.8-146.9 -65.6 148.0 -1.4 -7.0 1.2 22 22 A L E -C 34 0B 84 12,-2.6 12,-3.2 13,-0.2 2,-0.6 -0.958 19.2-111.2-122.4 138.2 0.2 -4.2 3.1 23 23 A b E -C 33 0B 36 -2,-0.4 2,-0.6 10,-0.3 10,-0.3 -0.534 33.8-149.8 -69.0 112.7 0.5 -0.5 2.2 24 24 A S E +C 32 0B 1 8,-3.2 8,-1.7 -2,-0.6 -15,-0.1 -0.767 22.1 175.4 -89.4 121.5 4.2 0.0 1.6 25 25 A d + 0 0 78 -2,-0.6 6,-0.2 6,-0.2 -1,-0.1 -0.411 30.2 142.1-120.0 52.3 5.4 3.5 2.4 26 26 A I - 0 0 73 3,-0.6 5,-0.1 4,-0.2 -2,-0.0 -0.008 63.0 -94.9 -81.8-170.8 9.1 3.0 1.9 27 27 A F S S+ 0 0 219 1,-0.1 -1,-0.0 3,-0.1 0, 0.0 0.969 119.0 31.2 -73.0 -59.7 11.7 5.4 0.3 28 28 A F S S+ 0 0 174 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.822 122.2 53.1 -71.7 -32.2 11.8 4.3 -3.3 29 29 A Y S S- 0 0 106 3,-0.0 -3,-0.6 0, 0.0 3,-0.2 -0.926 81.9-138.3-111.5 124.3 8.2 3.2 -3.4 30 30 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.188 52.8 -56.5 -71.0 166.3 5.4 5.6 -2.3 31 31 A d S S+ 0 0 64 -6,-0.2 -22,-2.2 -8,-0.1 2,-0.3 -0.236 83.8 138.2 -49.5 104.4 2.4 4.5 -0.1 32 32 A S E -BC 8 24B 7 -8,-1.7 -8,-3.2 -2,-0.3 2,-0.4 -0.978 60.6-100.9-153.6 137.9 0.9 1.7 -2.1 33 33 A c E +BC 7 23B 0 -26,-3.2 -27,-2.7 -2,-0.3 -26,-1.4 -0.485 47.2 179.5 -65.4 119.9 -0.5 -1.7 -1.2 34 34 A R E - C 0 22B 53 -12,-3.2 -12,-2.6 -2,-0.4 3,-0.1 -0.802 35.8 -77.9-118.7 159.2 2.2 -4.3 -1.9 35 35 A P > - 0 0 55 0, 0.0 3,-0.9 0, 0.0 2,-0.8 -0.025 58.0 -88.8 -52.7 159.8 2.1 -8.1 -1.4 36 36 A K T 3 S+ 0 0 140 1,-0.3 -15,-0.1 -15,-0.1 -17,-0.0 -0.643 117.0 10.7 -77.5 109.9 2.6 -9.5 2.1 37 37 A G T 3 0 0 73 -2,-0.8 -1,-0.3 -3,-0.1 -16,-0.0 0.900 360.0 360.0 86.6 47.0 6.4 -10.0 2.4 38 38 A W < 0 0 164 -3,-0.9 -1,-0.1 -16,-0.1 -4,-0.0 -0.287 360.0 360.0 -71.2 360.0 7.3 -8.1 -0.7