==== 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 07-APR-01 1IE6 . COMPND 2 MOLECULE: IMPERATOXIN A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.W.LEE,K.TAKEUCHI,H.TAKAHASHI,K.SATO,I.SHIMADA,D.H.KIM, . 33 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 12.1 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 . 1 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 9.1 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 . 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 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 0 136 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 -9.1 10.8 -5.7 2 2 A D - 0 0 136 14,-0.0 2,-0.2 13,-0.0 15,-0.0 -0.787 360.0-141.6-169.1 121.0 -6.1 10.3 -3.5 3 3 A a - 0 0 57 -2,-0.2 13,-0.3 1,-0.1 14,-0.2 -0.530 26.8-115.5 -85.0 154.4 -3.6 7.5 -3.1 4 4 A L B -a 16 0A 40 11,-4.2 13,-3.6 -2,-0.2 14,-0.3 -0.445 36.0 -93.9 -84.9 163.6 -2.3 6.4 0.3 5 5 A P > - 0 0 57 0, 0.0 3,-0.5 0, 0.0 13,-0.2 0.024 40.9 -98.7 -64.9 178.0 1.4 6.6 1.3 6 6 A H T 3 S+ 0 0 117 1,-0.2 10,-0.0 10,-0.1 25,-0.0 0.056 118.9 35.3 -91.1 29.4 3.9 3.8 0.9 7 7 A L T 3 S+ 0 0 118 26,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.290 92.9 95.4-161.7 13.9 3.5 2.7 4.5 8 8 A K S < S- 0 0 132 -3,-0.5 24,-2.9 1,-0.1 -4,-0.1 -0.831 84.6 -81.4-114.3 153.8 -0.1 3.3 5.7 9 9 A R B -B 31 0B 125 -2,-0.3 2,-0.4 22,-0.3 22,-0.3 -0.118 47.0-157.0 -47.3 142.4 -3.0 0.8 5.8 10 10 A b - 0 0 0 20,-0.9 -1,-0.1 12,-0.2 18,-0.1 -0.984 19.7-158.4-129.9 130.6 -4.7 0.4 2.4 11 11 A K S S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.578 83.3 25.9 -81.6 -7.3 -8.3 -0.8 1.8 12 12 A A S > S- 0 0 32 1,-0.1 3,-1.4 18,-0.0 4,-0.4 -0.998 79.7-114.4-152.5 154.7 -7.4 -1.8 -1.8 13 13 A D G > S+ 0 0 65 15,-0.3 8,-1.1 -2,-0.3 3,-0.7 0.946 118.8 44.4 -55.8 -48.3 -4.4 -2.9 -3.9 14 14 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.3 6,-0.1 -3,-0.0 -0.174 91.6 89.5 -90.7 45.4 -4.6 0.3 -6.0 15 15 A D G < S+ 0 0 54 -3,-1.4 -11,-4.2 -2,-0.6 -1,-0.2 0.677 70.0 76.5-110.2 -24.9 -5.2 2.6 -3.0 16 16 A c B < S-a 4 0A 4 -3,-0.7 3,-0.4 -4,-0.4 -10,-0.1 -0.293 89.2-115.2 -78.7 170.0 -1.5 3.5 -2.1 17 17 A a S S+ 0 0 75 -13,-3.6 -11,-0.1 -14,-0.2 -1,-0.1 0.627 118.2 53.0 -82.0 -9.7 0.5 6.0 -4.1 18 18 A G S S- 0 0 49 -14,-0.3 -1,-0.2 -13,-0.2 -12,-0.1 0.515 103.5-131.4 -99.4 -6.5 2.8 3.1 -5.2 19 19 A K S S+ 0 0 147 -3,-0.4 2,-0.2 -15,-0.2 -2,-0.1 0.762 83.0 101.9 63.5 20.3 -0.1 0.9 -6.4 20 20 A K + 0 0 135 -6,-0.0 13,-1.6 7,-0.0 2,-0.3 -0.541 48.2 174.5-133.8 69.6 1.5 -1.9 -4.4 21 21 A b B -C 32 0C 1 -8,-1.1 7,-0.4 11,-0.2 11,-0.3 -0.590 27.8-129.5 -77.7 134.8 -0.5 -2.2 -1.1 22 22 A K + 0 0 85 9,-2.9 8,-4.5 -2,-0.3 9,-0.4 -0.351 32.4 171.1 -79.2 165.7 0.6 -5.2 1.0 23 23 A R - 0 0 39 6,-0.3 2,-0.6 7,-0.2 4,-0.1 -0.898 47.9 -84.1-156.8-174.8 -1.9 -7.8 2.3 24 24 A R S S- 0 0 218 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.308 110.2 -7.8 -98.2 52.8 -2.1 -11.2 4.1 25 25 A G S S- 0 0 55 -2,-0.6 2,-0.4 0, 0.0 -2,-0.1 -0.656 128.1 -9.0 165.2-103.3 -1.7 -13.3 0.9 26 26 A T S S- 0 0 120 1,-0.3 -2,-0.1 -2,-0.2 -4,-0.1 -0.755 115.0 -46.3-130.4 86.7 -1.7 -12.0 -2.7 27 27 A N S S+ 0 0 88 -2,-0.4 -1,-0.3 -4,-0.1 -5,-0.1 0.770 83.0 130.6 57.1 119.2 -2.7 -8.3 -2.9 28 28 A A S S- 0 0 29 -7,-0.4 -15,-0.3 -6,-0.1 -5,-0.2 0.199 73.0 -66.5-159.3 -64.3 -5.7 -7.5 -0.8 29 29 A E S S+ 0 0 80 -7,-0.2 -6,-0.3 -17,-0.2 -7,-0.1 0.262 76.0 124.2 159.8 59.8 -5.4 -4.5 1.6 30 30 A K S S- 0 0 79 -8,-4.5 -20,-0.9 1,-0.2 2,-0.3 0.857 78.9 -35.2 -96.2 -73.9 -3.0 -4.6 4.6 31 31 A R B -B 9 0B 111 -9,-0.4 -9,-2.9 -22,-0.3 -22,-0.3 -0.993 65.5 -91.3-152.4 142.5 -0.6 -1.7 4.4 32 32 A c B C 21 0C 0 -24,-2.9 -11,-0.2 -2,-0.3 -23,-0.0 -0.323 360.0 360.0 -54.8 115.7 1.2 0.2 1.5 33 33 A R 0 0 135 -13,-1.6 -1,-0.1 -2,-0.2 -12,-0.1 -0.256 360.0 360.0-145.0 360.0 4.5 -1.6 1.1