==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-DEC-00 1HP9 . COMPND 2 MOLECULE: KAPPA-HEFUTOXIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.N.SRINIVASAN,V.SIVARAJA,I.HUYS,T.SASAKI,B.CHENG, . 22 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 54.5 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.5 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.1 -12.5 -2.4 -2.7 2 2 A H + 0 0 123 1,-0.0 0, 0.0 4,-0.0 0, 0.0 0.854 360.0 145.6 73.3 89.0 -9.2 -1.7 -2.1 3 3 A A > > + 0 0 62 3,-0.1 5,-1.7 2,-0.1 3,-1.4 0.412 66.5 92.6-125.4 -6.7 -6.9 -0.9 0.6 4 4 A a T 3 5S+ 0 0 32 1,-0.3 18,-0.3 3,-0.1 17,-0.1 0.630 101.5 31.2 -64.2 -11.3 -3.9 -2.8 -0.9 5 5 A Y T 3 5S+ 0 0 115 3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.303 119.7 56.1-124.6 4.9 -2.9 0.6 -2.5 6 6 A R T X>5S- 0 0 170 -3,-1.4 4,-0.8 3,-0.0 3,-0.7 0.651 128.4 -5.5 -94.8 -98.7 -4.2 2.9 0.2 7 7 A N H 3>5S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.564 106.7 102.0 -79.9 0.0 -3.0 2.4 3.6 8 8 A b H 3> S+ 0 0 83 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.903 111.7 67.9 -84.6 -37.0 2.0 1.2 2.5 10 10 A R H < S+ 0 0 186 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.684 96.6 58.4 -58.5 -20.2 1.0 3.7 5.1 11 11 A E H < S- 0 0 159 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.982 137.9 -47.1 -70.0 -71.5 1.1 0.9 7.6 12 12 A G H < S+ 0 0 64 -4,-0.8 2,-0.3 -5,-0.2 -2,-0.2 -0.037 110.7 81.7-162.2 42.2 4.6 -0.3 7.3 13 13 A N S < S- 0 0 56 -4,-2.5 2,-0.1 -5,-0.0 0, 0.0 -0.896 70.7-105.9-143.3 172.5 5.4 -0.7 3.7 14 14 A D > - 0 0 107 -2,-0.3 4,-1.2 1,-0.1 5,-0.2 -0.429 36.2-102.1 -99.1 172.7 6.5 1.4 0.7 15 15 A E T 4 S+ 0 0 142 1,-0.2 4,-0.2 2,-0.2 -6,-0.1 0.641 125.3 45.1 -71.1 -13.4 4.6 2.6 -2.2 16 16 A E T > S+ 0 0 131 2,-0.1 4,-1.3 3,-0.1 3,-0.3 0.727 98.7 71.6 -97.5 -26.0 6.2 0.0 -4.3 17 17 A T H >> S+ 0 0 35 1,-0.3 3,-0.8 2,-0.2 4,-0.8 0.942 99.8 44.9 -56.1 -51.6 5.8 -2.8 -1.8 18 18 A b H 3X S+ 0 0 1 -4,-1.2 4,-2.4 1,-0.3 3,-0.4 0.799 103.0 71.2 -61.2 -27.5 2.1 -3.1 -2.3 19 19 A K H 34 S+ 0 0 132 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.885 96.3 46.9 -54.1 -47.4 2.8 -3.0 -5.9 20 20 A E H << S+ 0 0 174 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.711 122.2 40.0 -69.8 -20.0 4.4 -6.4 -6.1 21 21 A R H < 0 0 182 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.940 360.0 360.0 -90.4 -75.2 1.5 -7.7 -4.1 22 22 A a < 0 0 101 -4,-2.4 -1,-0.1 -18,-0.3 0, 0.0 -0.483 360.0 360.0 -65.3 360.0 -1.8 -6.2 -5.0