==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 24-AUG-05 2ATG . COMPND 2 MOLECULE: RETROCYCLIN-2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.L.DALY,Y.K.CHEN,K.J.ROSENGREN,U.C.MARX,M.L.PHILLIPS, . 18 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 50.0 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 . 5 27.8 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 . 1 5.6 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 . 2 11.1 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+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 . 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 258 0, 0.0 3,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 -51.0 12.4 -0.5 1.7 2 2 A R + 0 0 223 16,-2.8 2,-0.4 1,-0.4 15,-0.0 0.201 360.0 87.2-173.5 -35.1 11.5 2.6 -0.3 3 3 A I + 0 0 120 15,-1.2 15,-2.2 2,-0.0 -1,-0.4 -0.711 49.8 176.2 -88.2 130.6 8.5 1.8 -2.5 4 4 A a B +A 17 0A 47 -2,-0.4 13,-0.3 13,-0.3 11,-0.0 -0.973 17.7 160.2-140.3 122.0 5.1 2.2 -0.8 5 5 A R + 0 0 179 11,-2.5 2,-0.4 -2,-0.4 12,-0.1 -0.349 17.7 164.7-135.6 52.1 1.7 1.8 -2.5 6 6 A b - 0 0 48 9,-0.2 2,-0.4 10,-0.1 9,-0.3 -0.609 10.4-178.2 -77.2 126.4 -0.7 1.3 0.4 7 7 A I E +B 14 0B 116 7,-2.5 7,-3.0 -2,-0.4 2,-0.3 -0.991 7.8 161.3-128.3 132.1 -4.4 1.7 -0.6 8 8 A c E +B 13 0B 73 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.995 2.9 144.4-150.8 145.6 -7.3 1.4 1.8 9 9 A G - 0 0 58 3,-3.2 2,-1.6 -2,-0.3 -2,-0.0 -0.610 65.9 -33.1-151.2-148.8 -11.0 2.5 1.8 10 10 A R S S- 0 0 251 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.261 133.3 -11.0 -81.6 50.8 -14.5 1.5 2.9 11 11 A G S S+ 0 0 69 -2,-1.6 2,-0.3 1,-0.5 -1,-0.1 -0.219 119.7 74.1 156.9 -57.0 -13.7 -2.2 2.4 12 12 A I + 0 0 137 2,-0.0 -3,-3.2 0, 0.0 -1,-0.5 -0.671 50.8 164.2 -88.8 140.5 -10.5 -2.8 0.5 13 13 A c E +B 8 0B 92 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.858 4.8 154.8-160.7 120.0 -7.2 -2.3 2.3 14 14 A R E -B 7 0B 177 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.6 -0.919 24.2-153.1-151.3 119.5 -3.7 -3.4 1.4 15 15 A b + 0 0 87 -2,-0.3 2,-0.4 -9,-0.3 -9,-0.2 -0.851 13.7 176.7 -99.4 121.5 -0.4 -1.8 2.5 16 16 A I + 0 0 85 -2,-0.6 -11,-2.5 2,-0.0 2,-0.4 -0.656 31.1 135.1-120.6 69.3 2.5 -2.3 0.1 17 17 A a B A 4 0A 82 -2,-0.4 -13,-0.3 -13,-0.3 -2,-0.1 -0.982 360.0 360.0-123.9 126.7 5.2 -0.2 1.8 18 18 A G 0 0 40 -15,-2.2 -16,-2.8 -2,-0.4 -15,-1.2 -0.827 360.0 360.0 178.8 360.0 8.8 -1.4 2.4