==== 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 ANTI-HYPERTENSIVE, ANTI-VIRAL PROTEIN 14-NOV-88 2BDS . COMPND 2 MOLECULE: BDS-I; . SOURCE 2 ORGANISM_SCIENTIFIC: ANEMONIA SULCATA; . AUTHOR G.M.CLORE,P.C.DRISCOLL,A.M.GRONENBORN . 43 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 53.5 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 . 13 30.2 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 . 2 4.7 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 . 7 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 9.3 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 . 0 1 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 ANTIPARALLEL 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 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 A 0 0 87 0, 0.0 13,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-177.3 1.3 -1.7 -8.9 2 2 A A - 0 0 24 13,-0.2 11,-0.4 1,-0.2 2,-0.2 -0.027 360.0-134.3 -44.9 139.2 3.2 1.5 -8.0 3 3 A P + 0 0 100 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.121 56.3 152.1 -78.9 39.0 7.0 1.3 -7.4 4 4 A a E -A 13 0A 29 9,-1.2 9,-0.7 -2,-0.2 2,-0.1 -0.577 38.8-141.2 -76.4 121.2 6.1 3.5 -4.4 5 5 A F E - 0 0 137 -2,-0.5 2,-0.3 7,-0.2 8,-0.1 -0.371 17.2-146.9 -78.2 163.5 8.6 2.9 -1.6 6 6 A b E > -A 9 0A 16 3,-1.9 3,-0.7 6,-0.1 2,-0.6 -0.782 25.5 -81.1-127.9 175.3 7.4 2.8 2.0 7 7 A S T 3 S+ 0 0 90 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.597 115.3 2.6 -81.8 116.5 8.6 3.7 5.5 8 8 A G T 3 S+ 0 0 83 -2,-0.6 -1,-0.3 1,-0.0 -3,-0.0 0.215 122.3 80.6 94.7 -15.2 10.9 1.0 6.9 9 9 A K E < -A 6 0A 77 -3,-0.7 -3,-1.9 2,-0.0 -1,-0.0 -0.933 60.5-165.2-130.1 111.7 10.6 -1.0 3.7 10 10 A P E + 0 0 113 0, 0.0 2,-0.9 0, 0.0 -3,-0.0 -0.119 63.6 54.8 -74.5-175.3 12.7 -0.3 0.5 11 11 A G E S- 0 0 41 -8,-0.1 2,-0.3 -6,-0.0 32,-0.1 -0.772 104.2 -46.2 93.2-104.7 11.7 -1.8 -2.8 12 12 A R E - 0 0 66 -2,-0.9 2,-0.3 30,-0.2 -7,-0.2 -0.992 36.0-149.5-160.2 165.4 8.1 -0.9 -3.5 13 13 A G E -A 4 0A 0 -9,-0.7 -9,-1.2 -11,-0.4 2,-0.5 -0.990 33.7-108.7-138.1 149.9 4.6 -0.6 -2.4 14 14 A D E -B 40 0B 24 26,-2.3 26,-2.6 -2,-0.3 2,-0.9 -0.665 37.8-127.4 -77.2 124.5 1.3 -1.0 -4.3 15 15 A L E +B 39 0B 101 -2,-0.5 24,-0.3 24,-0.3 2,-0.2 -0.626 35.8 171.8 -84.7 111.1 -0.2 2.4 -4.5 16 16 A W E -B 38 0B 57 22,-3.7 22,-2.0 -2,-0.9 6,-0.1 -0.536 25.5-118.4-100.6 171.7 -3.7 2.4 -3.3 17 17 A I > - 0 0 96 20,-0.3 2,-3.5 -2,-0.2 3,-0.6 -0.126 55.7 -44.3-104.3-161.2 -5.9 5.6 -2.8 18 18 A L T 3 S+ 0 0 113 1,-0.2 19,-0.2 19,-0.2 -1,-0.1 -0.332 95.1 114.3 -68.0 70.9 -7.7 7.4 0.0 19 19 A R T 3 - 0 0 138 -2,-3.5 -1,-0.2 2,-0.0 18,-0.1 0.502 61.8-153.4-116.0 -13.0 -9.0 4.2 1.3 20 20 A G S < S+ 0 0 29 -3,-0.6 2,-0.3 1,-0.1 -2,-0.1 0.554 75.9 64.5 48.3 4.7 -7.2 4.1 4.6 21 21 A T S S- 0 0 92 -4,-0.2 -4,-0.1 17,-0.0 -1,-0.1 -0.993 71.6-140.0-151.9 154.9 -7.6 0.3 4.1 22 22 A c - 0 0 20 -2,-0.3 2,-0.5 7,-0.1 9,-0.0 -0.873 43.7 -86.4-116.1 151.2 -6.5 -2.5 1.8 23 23 A P > > - 0 0 27 0, 0.0 2,-1.6 0, 0.0 3,-1.5 -0.370 41.9-144.8 -56.7 106.1 -8.6 -5.5 0.5 24 24 A G T 3 5S+ 0 0 81 -2,-0.5 5,-0.1 1,-0.2 -3,-0.0 -0.569 86.9 36.1 -77.3 90.0 -8.2 -8.0 3.3 25 25 A G T 3 5S+ 0 0 70 -2,-1.6 -1,-0.2 3,-0.1 4,-0.0 0.243 87.3 89.7 151.4 -11.1 -8.2 -11.2 1.3 26 26 A Y T < 5S- 0 0 200 -3,-1.5 -2,-0.1 2,-0.0 0, 0.0 0.700 117.5 -77.2 -82.6 -18.8 -6.4 -10.3 -1.9 27 27 A G T 5S+ 0 0 54 -4,-0.4 -3,-0.1 1,-0.3 2,-0.0 0.173 95.1 117.6 143.6 -16.9 -3.1 -11.3 -0.4 28 28 A Y < + 0 0 36 -5,-0.5 -1,-0.3 1,-0.2 -3,-0.1 -0.259 10.4 143.1 -77.3 167.7 -2.1 -8.3 1.8 29 29 A T + 0 0 116 12,-0.7 2,-0.5 1,-0.4 -1,-0.2 0.083 68.7 59.9-162.6 -46.1 -1.6 -8.3 5.5 30 30 A S + 0 0 37 11,-0.1 11,-1.2 10,-0.0 -1,-0.4 -0.848 67.0 157.5 -98.7 124.4 1.2 -5.8 5.8 31 31 A N E -C 40 0B 44 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.994 32.4-140.3-148.4 156.1 0.7 -2.3 4.5 32 32 A b E -C 39 0B 16 7,-1.8 7,-1.5 -2,-0.3 2,-0.4 -0.917 19.5-150.9-114.4 147.2 1.9 1.2 4.9 33 33 A Y E +C 38 0B 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.946 22.9 167.3-127.9 131.3 -0.4 4.2 4.9 34 34 A K E > -C 37 0B 84 3,-1.2 3,-1.0 -2,-0.4 -2,-0.0 -0.642 45.8-108.2-140.1 77.7 0.2 7.8 3.8 35 35 A W T 3 S+ 0 0 197 1,-0.3 3,-0.1 -2,-0.2 -17,-0.1 0.049 101.4 39.5 -44.8 158.9 -3.1 9.7 3.6 36 36 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.788 135.6 11.2 -78.9 35.3 -4.9 10.7 1.6 37 37 A N E < - C 0 34B 50 -3,-1.0 -3,-1.2 -19,-0.2 2,-0.3 -0.819 68.1-137.1-147.7-166.5 -3.8 7.5 -0.0 38 38 A I E -BC 16 33B 1 -22,-2.0 -22,-3.7 -2,-0.2 2,-0.4 -0.992 6.1-147.4-156.6 147.8 -1.9 4.3 0.8 39 39 A a E -BC 15 32B 6 -7,-1.5 -7,-1.8 -2,-0.3 2,-0.4 -0.994 29.0-142.3-117.4 136.3 0.7 1.9 -0.6 40 40 A c E -BC 14 31B 0 -26,-2.6 -26,-2.3 -2,-0.4 -9,-0.2 -0.753 20.2-136.1-107.1 140.0 0.2 -1.8 0.4 41 41 A Y + 0 0 10 -11,-1.2 -12,-0.7 -2,-0.4 2,-0.1 -0.566 67.7 70.3-107.8 176.7 2.7 -4.5 1.2 42 42 A P 0 0 60 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.764 360.0 360.0 -59.0 -53.9 4.1 -7.3 1.3 43 43 A H 0 0 111 -2,-0.1 -31,-0.1 -32,-0.1 -2,-0.0 0.536 360.0 360.0 66.0 360.0 5.1 -6.8 -2.2