==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTI-HYPERTENSIVE, ANTI-VIRAL PROTEIN 14-NOV-88 1BDS . 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) . 2923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 46.5 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 . 9 20.9 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 . 6 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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 . 1 2.3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 91 0, 0.0 13,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 173.7 0.8 -1.1 -8.8 2 2 A A - 0 0 22 13,-0.2 11,-0.3 1,-0.2 14,-0.0 0.248 360.0-135.2 -60.6 162.1 3.2 1.6 -7.8 3 3 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.123 60.9 147.2 -78.7 20.7 7.0 1.2 -7.3 4 4 A a - 0 0 28 9,-1.0 8,-0.1 8,-0.2 36,-0.0 -0.368 42.9-136.1 -80.8 126.4 6.2 3.2 -4.2 5 5 A F - 0 0 131 -2,-0.2 2,-0.2 7,-0.2 8,-0.2 -0.233 12.4-140.9 -77.6 163.6 8.4 2.4 -1.2 6 6 A b - 0 0 10 3,-1.6 2,-0.8 4,-0.4 3,-0.2 -0.627 37.1 -75.7-115.8-177.8 7.2 1.9 2.4 7 7 A S S S+ 0 0 97 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 -0.630 119.4 0.9 -91.2 110.6 8.7 3.0 5.7 8 8 A G S S+ 0 0 83 -2,-0.8 -1,-0.3 1,-0.1 -3,-0.0 -0.039 117.3 94.9 101.2 -29.4 11.6 0.7 6.5 9 9 A K - 0 0 82 -3,-0.2 -3,-1.6 1,-0.0 -1,-0.1 -0.859 56.6-165.9-108.3 114.8 11.0 -1.2 3.3 10 10 A P + 0 0 104 0, 0.0 2,-1.0 0, 0.0 -4,-0.4 0.175 62.9 48.9 -67.5-161.6 13.1 -0.3 0.1 11 11 A G S S- 0 0 44 -6,-0.1 2,-0.3 2,-0.0 -6,-0.1 -0.479 103.3 -55.9 76.7-102.8 12.0 -1.5 -3.3 12 12 A R - 0 0 81 -2,-1.0 2,-0.3 -8,-0.1 -8,-0.2 -0.974 35.4-160.2-160.2 165.4 8.3 -0.9 -3.8 13 13 A G - 0 0 0 -11,-0.3 -9,-1.0 -2,-0.3 2,-0.5 -0.953 41.2 -87.8-145.8 177.8 4.8 -1.3 -2.7 14 14 A D E -A 40 0A 28 26,-1.8 26,-2.6 -2,-0.3 2,-0.9 -0.707 38.7-133.6 -78.7 124.1 1.4 -1.1 -4.4 15 15 A L E -A 39 0A 88 -2,-0.5 24,-0.3 24,-0.3 2,-0.3 -0.710 27.2-175.6 -79.1 111.5 0.0 2.5 -4.3 16 16 A W E -A 38 0A 39 22,-2.8 22,-3.1 -2,-0.9 3,-0.1 -0.685 18.0-128.6 -93.4 157.9 -3.5 2.3 -3.2 17 17 A I - 0 0 107 20,-0.3 2,-2.7 -2,-0.3 20,-0.1 0.063 63.5 -24.7 -94.8-153.5 -5.6 5.4 -3.2 18 18 A L S S+ 0 0 116 18,-0.2 2,-0.4 19,-0.2 19,-0.2 -0.274 88.0 134.0 -67.7 78.7 -7.8 7.0 -0.4 19 19 A R - 0 0 124 -2,-2.7 3,-0.1 -3,-0.1 -3,-0.1 -0.997 48.7-156.8-121.3 133.6 -8.4 3.8 1.4 20 20 A G S S+ 0 0 53 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.725 87.7 22.3 -77.4 -21.1 -8.1 3.6 5.2 21 21 A T S S- 0 0 99 -3,-0.1 -1,-0.2 17,-0.0 3,-0.1 -0.987 83.0-115.8-142.4 155.2 -7.6 -0.1 4.8 22 22 A c - 0 0 20 -2,-0.3 9,-0.0 1,-0.1 17,-0.0 -0.556 48.4 -84.1 -87.2 154.6 -6.5 -2.5 2.1 23 23 A P >> - 0 0 32 0, 0.0 4,-0.6 0, 0.0 3,-0.6 -0.257 31.1-144.6 -56.9 141.4 -8.8 -5.1 0.5 24 24 A G T 34 S+ 0 0 85 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.608 93.9 60.9 -85.8 -10.5 -8.9 -8.3 2.6 25 25 A G T 34 S+ 0 0 81 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.527 90.7 69.8 -93.8 -5.5 -9.2 -10.5 -0.4 26 26 A Y T <4 S- 0 0 163 -3,-0.6 -2,-0.1 2,-0.0 -1,-0.1 0.966 106.1-108.1 -82.1 -54.5 -6.0 -9.5 -2.1 27 27 A G < + 0 0 56 -4,-0.6 -3,-0.1 1,-0.1 -2,-0.1 0.334 69.2 132.1 140.6 1.1 -3.4 -11.0 0.3 28 28 A Y + 0 0 33 -5,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.108 13.7 153.8 -65.2 171.9 -1.9 -8.1 2.1 29 29 A T + 0 0 118 12,-1.3 2,-0.5 1,-0.4 -1,-0.2 0.065 65.6 62.8-160.5 -38.2 -1.4 -7.8 5.8 30 30 A S + 0 0 34 11,-0.2 11,-1.8 10,-0.0 -1,-0.4 -0.831 66.7 152.4 -95.1 127.1 1.5 -5.4 6.0 31 31 A N E -B 40 0A 50 -2,-0.5 2,-0.4 9,-0.3 9,-0.2 -0.997 35.6-139.0-150.4 158.8 0.9 -1.9 4.7 32 32 A b E -B 39 0A 14 7,-2.0 7,-1.9 -2,-0.3 2,-0.4 -0.976 23.6-142.8-125.0 147.8 1.9 1.7 5.1 33 33 A Y E +B 38 0A 94 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.846 25.1 168.6-126.9 128.3 -0.6 4.4 5.0 34 34 A K E > -B 37 0A 93 3,-1.1 3,-1.3 -2,-0.4 4,-0.1 -0.560 41.7-113.6-142.5 69.5 -0.4 7.9 3.5 35 35 A W T 3 S+ 0 0 202 1,-0.4 3,-0.1 -2,-0.2 -17,-0.0 -0.006 100.9 33.3 -51.9 157.2 -3.7 9.6 3.4 36 36 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.730 139.3 16.2 -78.7 39.1 -5.6 10.6 1.3 37 37 A N E < - B 0 34A 49 -3,-1.3 -3,-1.1 -19,-0.2 -20,-0.3 -0.759 66.3-149.0-140.3-163.1 -4.0 7.4 -0.2 38 38 A I E -AB 16 33A 0 -22,-3.1 -22,-2.8 -2,-0.2 2,-0.4 -0.949 9.5-145.0-159.6 151.5 -2.0 4.4 0.8 39 39 A a E -AB 15 32A 1 -7,-1.9 -7,-2.0 -24,-0.3 2,-0.3 -0.983 30.2-144.1-117.9 152.6 0.6 2.0 -0.5 40 40 A c E -AB 14 31A 0 -26,-2.6 -26,-1.8 -2,-0.4 -9,-0.3 -0.820 14.5-108.5-126.2 142.4 0.3 -1.6 0.6 41 41 A Y + 0 0 9 -11,-1.8 -12,-1.3 -2,-0.3 -11,-0.2 -0.734 69.9 62.1-117.7 166.4 2.6 -4.5 1.5 42 42 A P 0 0 71 0, 0.0 -28,-0.1 0, 0.0 -2,-0.1 0.447 360.0 360.0 -77.8 160.9 3.9 -7.1 1.3 43 43 A H 0 0 117 -2,-0.2 -2,-0.0 -31,-0.1 -31,-0.0 -0.976 360.0 360.0-120.3 360.0 5.9 -6.5 -1.8