==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 16-JAN-06 2DCW . COMPND 2 MOLECULE: TACHYSTATIN-B2; . SOURCE 2 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS; . AUTHOR N.FUJITANI,K.KAWANO . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 23.8 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 . 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 . 4 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.1 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 . 0 0 1 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 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 Y 0 0 272 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.0 15.3 -7.1 7.9 2 2 A I + 0 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.657 360.0 100.5 -81.2 98.1 15.9 -7.7 4.2 3 3 A T - 0 0 117 -2,-1.2 2,-0.1 3,-0.0 3,-0.0 -0.968 65.6 -96.4-164.9 173.7 12.4 -8.2 2.8 4 4 A a - 0 0 59 -2,-0.3 2,-0.7 1,-0.1 15,-0.2 -0.424 52.6 -78.0 -96.5 174.1 9.6 -6.6 0.9 5 5 A L B -a 19 0A 41 13,-0.8 15,-2.4 -2,-0.1 2,-0.2 -0.633 54.0-169.1 -77.1 111.3 6.4 -4.9 2.1 6 6 A F - 0 0 115 -2,-0.7 3,-0.4 13,-0.2 31,-0.2 -0.511 38.6 -66.3 -97.0 167.2 3.9 -7.7 3.1 7 7 A R S S+ 0 0 159 1,-0.2 -1,-0.2 -2,-0.2 31,-0.1 -0.269 120.9 38.3 -53.8 128.3 0.2 -7.4 3.9 8 8 A G S S+ 0 0 79 29,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.721 93.5 110.5 100.0 27.7 -0.2 -5.4 7.2 9 9 A A - 0 0 30 -3,-0.4 28,-1.9 28,-0.2 -1,-0.4 -0.888 65.3-110.3-131.2 161.9 2.5 -2.8 6.6 10 10 A R E +B 36 0B 128 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.654 34.7 170.4 -93.1 148.7 2.7 0.9 6.0 11 11 A b E -B 35 0B 4 24,-1.5 24,-1.5 -2,-0.3 2,-0.2 -0.925 16.9-150.8-160.1 131.1 3.9 2.4 2.6 12 12 A R E > -B 34 0B 122 -2,-0.3 3,-1.6 22,-0.3 22,-0.2 -0.556 32.5-107.3-100.0 166.2 3.9 5.9 1.2 13 13 A V T 3 S+ 0 0 55 20,-2.3 21,-0.1 1,-0.3 -1,-0.1 0.931 122.5 38.3 -55.6 -50.9 3.7 7.0 -2.4 14 14 A Y T 3 S+ 0 0 177 19,-0.4 -1,-0.3 -3,-0.0 20,-0.1 0.035 93.6 135.1 -90.8 26.4 7.3 8.1 -2.6 15 15 A S < - 0 0 31 -3,-1.6 3,-0.1 1,-0.1 -4,-0.1 -0.005 58.8-105.0 -65.7 177.8 8.4 5.1 -0.4 16 16 A G S S+ 0 0 67 1,-0.2 -1,-0.1 2,-0.0 -5,-0.0 0.670 84.9 11.5 -75.2-122.9 11.4 2.9 -1.2 17 17 A R S S- 0 0 201 1,-0.1 -1,-0.2 -13,-0.0 3,-0.1 -0.176 86.2-107.9 -56.0 148.3 11.0 -0.6 -2.7 18 18 A S - 0 0 96 1,-0.1 -13,-0.8 -3,-0.1 -1,-0.1 -0.051 45.3 -75.9 -69.9 177.9 7.5 -1.5 -4.0 19 19 A c B -a 5 0A 18 -15,-0.2 -13,-0.2 1,-0.1 -1,-0.1 -0.122 59.1 -82.6 -69.9 172.1 5.2 -4.0 -2.2 20 20 A a > - 0 0 17 -15,-2.4 3,-1.7 1,-0.2 2,-0.2 -0.007 67.7 -59.9 -67.1 178.6 5.7 -7.8 -2.4 21 21 A F T 3 S+ 0 0 203 1,-0.3 -1,-0.2 19,-0.0 3,-0.1 -0.416 126.8 11.6 -65.0 131.6 4.5 -10.0 -5.2 22 22 A G T 3 S+ 0 0 24 1,-0.2 18,-2.7 -2,-0.2 2,-0.4 0.637 113.7 96.4 75.8 13.8 0.7 -9.7 -5.8 23 23 A Y E < -C 39 0B 46 -3,-1.7 16,-0.2 16,-0.2 2,-0.2 -0.994 49.8-176.2-140.1 130.9 0.5 -6.7 -3.4 24 24 A Y E -C 38 0B 85 14,-1.8 14,-2.2 -2,-0.4 2,-0.5 -0.553 28.4-107.8-115.2-178.8 0.5 -3.0 -4.2 25 25 A b E -C 37 0B 43 12,-0.2 2,-0.2 -2,-0.2 12,-0.2 -0.949 33.3-173.7-118.6 115.5 0.5 0.2 -2.2 26 26 A R E -C 36 0B 151 10,-2.2 10,-1.9 -2,-0.5 -15,-0.2 -0.673 22.7-112.6-104.6 160.5 -2.6 2.3 -2.1 27 27 A R E -C 35 0B 131 -2,-0.2 8,-0.2 8,-0.2 9,-0.1 -0.219 16.2-126.5 -82.6 176.7 -3.2 5.8 -0.6 28 28 A D S S- 0 0 73 6,-0.8 7,-0.1 1,-0.4 -1,-0.1 0.893 78.2 -23.3 -90.0 -50.3 -5.3 6.7 2.4 29 29 A F S > S- 0 0 122 0, 0.0 3,-1.3 0, 0.0 2,-0.7 -0.986 84.7 -65.2-159.5 160.4 -7.6 9.4 0.9 30 30 A P T 3 S+ 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.304 126.0 24.2 -53.6 98.6 -7.7 12.0 -1.9 31 31 A G T 3 S+ 0 0 70 -2,-0.7 2,-0.2 1,-0.3 0, 0.0 0.636 94.2 126.8 115.3 25.5 -4.9 14.3 -0.9 32 32 A S < - 0 0 25 -3,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.677 44.7-160.6-110.0 165.3 -2.7 12.0 1.2 33 33 A I S S+ 0 0 88 -2,-0.2 -20,-2.3 1,-0.1 -19,-0.4 0.664 75.5 51.1-113.8 -31.0 1.0 11.2 1.0 34 34 A F E +B 12 0B 77 -22,-0.2 -6,-0.8 -21,-0.1 -22,-0.3 -0.773 60.2 151.1-110.4 156.0 1.2 7.9 3.0 35 35 A G E -BC 11 27B 1 -24,-1.5 -24,-1.5 -2,-0.3 2,-0.3 -0.560 33.8 -94.8-150.1-145.3 -0.9 4.8 2.7 36 36 A T E -BC 10 26B 50 -10,-1.9 -10,-2.2 -26,-0.3 2,-0.4 -0.978 31.7 -99.3-150.1 159.6 -0.8 1.0 3.2 37 37 A c E - C 0 25B 8 -28,-1.9 -29,-0.7 -2,-0.3 2,-0.3 -0.663 40.9-177.4 -84.9 133.7 -0.1 -2.2 1.3 38 38 A S E - C 0 24B 58 -14,-2.2 -14,-1.8 -2,-0.4 2,-0.1 -0.910 31.0 -95.9-130.0 157.5 -3.1 -4.2 0.0 39 39 A R E - C 0 23B 179 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.445 44.7-110.7 -72.4 142.5 -3.7 -7.5 -1.8 40 40 A R - 0 0 151 -18,-2.7 2,-0.4 -2,-0.1 -1,-0.1 -0.131 29.5-117.8 -66.6 167.6 -4.1 -7.3 -5.6 41 41 A N 0 0 144 1,-0.1 -1,-0.1 -18,-0.0 -19,-0.0 -0.897 360.0 360.0-113.8 141.1 -7.4 -8.1 -7.3 42 42 A F 0 0 251 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.293 360.0 360.0-136.1 360.0 -8.1 -10.9 -9.8