==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 23-SEP-03 1R1F . COMPND 2 MOLECULE: PALICOUREIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PALICOUREA CONDENSATA; . AUTHOR D.G.BARRY,N.L.DALY,H.R.BOKESCH,K.R.GUSTAFSON,D.J.CRAIK . 37 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 35.1 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 . 2 5.4 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 . 1 2.7 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.1 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 . 1 2.7 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 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 T 0 0 88 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 71.7 3.5 8.1 -1.6 2 2 A F - 0 0 94 28,-0.2 30,-0.3 31,-0.1 32,-0.1 0.941 360.0-162.4 79.1 89.6 2.7 4.9 -3.4 3 3 A a - 0 0 24 28,-1.7 29,-0.1 30,-0.2 30,-0.1 0.990 52.6 -89.5 -60.8 -63.5 5.0 2.0 -2.4 4 4 A G S S+ 0 0 44 1,-0.4 29,-0.1 27,-0.3 28,-0.0 0.084 97.6 60.7 179.9 -48.8 4.2 -0.2 -5.3 5 5 A E S S- 0 0 59 27,-0.1 26,-0.9 8,-0.1 -1,-0.4 0.068 70.6-125.2 -83.0-161.2 1.3 -2.6 -4.7 6 6 A T - 0 0 37 24,-0.2 2,-0.8 -3,-0.1 24,-0.1 -0.990 8.4-129.5-151.9 142.2 -2.3 -1.7 -3.9 7 7 A b + 0 0 0 -2,-0.3 22,-0.6 6,-0.1 19,-0.4 -0.834 37.4 161.8 -99.6 107.3 -4.7 -2.7 -1.1 8 8 A R S S- 0 0 121 -2,-0.8 19,-0.2 2,-0.5 18,-0.1 0.410 71.7 -38.2 -91.1-129.3 -8.1 -4.0 -2.4 9 9 A V S S+ 0 0 126 1,-0.3 19,-0.1 17,-0.1 -2,-0.1 0.112 146.7 48.3 -88.8 25.9 -10.6 -6.0 -0.5 10 10 A I S S+ 0 0 140 17,-0.1 -2,-0.5 0, 0.0 -1,-0.3 -0.534 89.9 177.8-159.1 67.4 -7.5 -7.7 1.0 11 11 A P + 0 0 40 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.293 40.6 80.2 -66.3-163.1 -5.3 -4.7 2.0 12 12 A V S S- 0 0 104 1,-0.1 5,-0.1 -4,-0.1 10,-0.1 0.989 75.9-128.3 59.4 69.1 -2.0 -4.4 3.7 13 13 A c - 0 0 10 1,-0.2 4,-0.4 3,-0.1 -1,-0.1 -0.223 22.0-164.0 -47.2 111.8 0.3 -5.1 0.8 14 14 A T S S+ 0 0 119 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.729 80.6 57.7 -78.1 -24.4 2.6 -7.8 2.2 15 15 A Y S > S+ 0 0 201 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.953 115.8 35.1 -70.9 -48.0 5.3 -7.6 -0.4 16 16 A S G >>>S+ 0 0 12 1,-0.2 3,-1.5 2,-0.1 5,-1.4 0.581 98.0 87.4 -79.5 -11.0 6.0 -3.9 0.2 17 17 A A G >45S+ 0 0 37 -4,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.727 70.5 76.2 -60.7 -22.3 5.3 -4.6 3.9 18 18 A A G <45S+ 0 0 91 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.873 97.5 45.3 -57.0 -37.3 8.9 -5.5 4.3 19 19 A L G <45S- 0 0 114 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.672 124.4-107.1 -77.3 -21.0 9.7 -1.7 4.2 20 20 A G T <<5 + 0 0 37 -3,-0.6 -3,-0.2 -4,-0.6 -2,-0.1 0.593 58.5 173.5 98.4 16.7 6.8 -1.1 6.6 21 21 A a < - 0 0 7 -5,-1.4 2,-0.4 -8,-0.1 -1,-0.2 -0.269 13.5-158.2 -58.6 137.2 4.8 0.4 3.8 22 22 A T - 0 0 96 11,-0.7 10,-1.5 10,-0.5 2,-0.2 -0.977 5.4-145.9-128.6 136.8 1.2 1.2 4.8 23 23 A b B -A 31 0A 31 -2,-0.4 8,-0.2 8,-0.3 -17,-0.0 -0.505 13.3-138.4 -91.9 165.5 -1.9 1.6 2.7 24 24 A D - 0 0 95 6,-0.7 -1,-0.1 -2,-0.2 7,-0.1 0.868 37.8-158.4 -88.7 -42.7 -4.8 4.0 3.4 25 25 A D + 0 0 66 5,-0.1 4,-0.1 1,-0.1 -17,-0.1 0.828 33.2 166.8 62.2 121.7 -7.5 1.5 2.5 26 26 A R S S- 0 0 160 -19,-0.4 -1,-0.1 -18,-0.1 -17,-0.1 -0.283 86.5 -67.6-152.8 43.7 -11.0 2.5 1.5 27 27 A S S S+ 0 0 90 -19,-0.2 2,-0.2 0, 0.0 -17,-0.1 0.061 130.2 8.8 82.5 -20.7 -12.1 -0.9 0.2 28 28 A D S S+ 0 0 78 -19,-0.1 -20,-0.2 2,-0.0 2,-0.1 -0.862 80.3 118.3-179.3 146.8 -9.5 0.0 -2.4 29 29 A G - 0 0 36 -22,-0.6 2,-0.2 -2,-0.2 -21,-0.1 -0.421 61.6 -61.1-172.3-106.9 -6.9 2.7 -2.8 30 30 A L - 0 0 64 -2,-0.1 -6,-0.7 -24,-0.1 -24,-0.2 -0.782 38.6-116.0-173.7 126.0 -3.1 2.5 -3.0 31 31 A c B -A 23 0A 1 -26,-0.9 -28,-1.7 -2,-0.2 -27,-0.3 -0.431 34.3-136.7 -68.4 136.9 -0.3 1.2 -0.8 32 32 A K - 0 0 70 -10,-1.5 -10,-0.5 -30,-0.3 -27,-0.1 -0.651 10.1-131.1 -98.7 153.6 2.0 4.0 0.4 33 33 A R - 0 0 79 3,-0.3 -11,-0.7 -2,-0.2 2,-0.3 0.296 23.2-106.7 -79.1-150.5 5.8 3.8 0.6 34 34 A N S S+ 0 0 61 2,-0.2 2,-1.3 -13,-0.1 -13,-0.1 -0.979 92.4 19.3-146.5 146.9 8.2 4.8 3.5 35 35 A G S S+ 0 0 88 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.226 148.3 23.0 84.4 -44.6 10.6 7.7 4.0 36 36 A D 0 0 83 -2,-1.3 -3,-0.3 -34,-0.0 -2,-0.2 -0.396 360.0 360.0-144.2 51.0 8.5 9.3 1.3 37 37 A P 0 0 59 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 -0.188 360.0 360.0 -48.9 360.0 5.2 7.3 1.7