==== 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 2DCV . COMPND 2 MOLECULE: TACHYSTATIN-B1; . SOURCE 2 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS; . AUTHOR N.FUJITANI,T.KOHNO . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 50.0 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 . 4 9.5 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 0 245 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.8 16.5 -3.0 -1.6 2 2 A V + 0 0 123 15,-0.0 0, 0.0 2,-0.0 0, 0.0 0.675 360.0 72.1-119.0 -41.1 15.8 -6.6 -0.8 3 3 A S - 0 0 100 1,-0.1 2,-0.3 17,-0.0 14,-0.1 -0.194 66.7-148.9 -73.6 169.6 13.0 -6.6 1.7 4 4 A a - 0 0 68 12,-0.0 2,-0.3 17,-0.0 15,-0.2 -0.870 23.1 -88.7-136.4 169.3 9.4 -5.8 0.9 5 5 A L B -a 19 0A 45 13,-0.8 15,-2.8 -2,-0.3 2,-0.2 -0.630 40.6-152.6 -83.2 135.7 6.3 -4.2 2.5 6 6 A F > - 0 0 113 -2,-0.3 3,-0.9 13,-0.2 31,-0.2 -0.543 35.6 -68.3-102.5 170.2 4.0 -6.6 4.4 7 7 A R T 3 S+ 0 0 170 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.294 120.8 25.5 -58.2 135.9 0.2 -6.3 5.1 8 8 A G T 3 S+ 0 0 72 29,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.775 96.3 129.0 80.2 27.3 -0.6 -3.5 7.5 9 9 A A < - 0 0 28 -3,-0.9 28,-1.8 28,-0.3 2,-0.4 -0.760 62.2-107.1-113.7 160.7 2.4 -1.5 6.6 10 10 A R E +B 36 0B 199 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.734 41.3 167.1 -90.1 130.8 2.9 2.2 5.5 11 11 A b E -B 35 0B 2 24,-1.5 24,-1.7 -2,-0.4 2,-0.2 -0.972 17.1-156.1-147.3 128.0 3.7 2.8 1.9 12 12 A R E > -B 34 0B 122 -2,-0.3 3,-1.7 22,-0.3 22,-0.2 -0.573 32.4-108.8-100.0 164.9 3.7 6.1 -0.1 13 13 A V T 3 S+ 0 0 69 20,-2.4 21,-0.1 1,-0.3 -1,-0.1 0.915 122.2 40.6 -55.9 -48.0 3.4 6.6 -3.8 14 14 A Y T 3 S+ 0 0 189 19,-0.4 -1,-0.3 -3,-0.0 20,-0.1 0.067 94.3 126.9 -90.7 24.3 7.0 7.7 -4.2 15 15 A S < - 0 0 33 -3,-1.7 3,-0.1 1,-0.1 -4,-0.1 0.072 66.2 -93.3 -68.7-173.4 8.1 5.0 -1.8 16 16 A G S S- 0 0 71 1,-0.2 -1,-0.1 2,-0.0 -12,-0.0 0.636 82.5 -9.3 -74.4-126.3 10.8 2.4 -2.5 17 17 A R S S- 0 0 165 -14,-0.1 -1,-0.2 1,-0.1 -12,-0.1 -0.207 82.2 -94.4 -70.0 164.9 10.1 -1.0 -3.9 18 18 A S - 0 0 103 1,-0.2 -13,-0.8 -3,-0.1 -1,-0.1 -0.013 54.5 -71.7 -70.0-179.1 6.5 -2.4 -4.2 19 19 A c B -a 5 0A 14 4,-0.2 4,-0.2 -15,-0.2 3,-0.2 -0.143 63.8 -77.2 -70.0 170.4 4.8 -4.6 -1.7 20 20 A a S > S- 0 0 20 -15,-2.8 3,-1.8 1,-0.2 2,-0.2 0.043 74.1 -56.3 -59.9 175.7 5.7 -8.2 -1.0 21 21 A F T 3 S+ 0 0 209 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.383 131.0 14.0 -59.9 122.0 4.6 -11.0 -3.4 22 22 A G T 3 S+ 0 0 32 1,-0.3 18,-1.1 -2,-0.2 2,-0.3 0.694 112.2 98.3 85.0 20.0 0.8 -10.9 -3.7 23 23 A Y E < -C 39 0B 59 -3,-1.8 -1,-0.3 16,-0.3 2,-0.3 -0.981 45.8-177.2-140.0 151.2 0.5 -7.4 -2.1 24 24 A Y E -C 38 0B 88 14,-2.7 14,-3.0 -2,-0.3 2,-0.4 -0.915 26.1-110.6-142.2 167.4 0.1 -3.9 -3.4 25 25 A b E -C 37 0B 52 -2,-0.3 2,-0.4 12,-0.3 12,-0.2 -0.854 26.9-165.0-105.8 137.2 -0.0 -0.3 -2.1 26 26 A R E -C 36 0B 157 10,-3.0 10,-2.0 -2,-0.4 -15,-0.2 -0.944 21.0-115.9-122.6 142.6 -3.2 1.8 -2.2 27 27 A R E -C 35 0B 142 -2,-0.4 8,-0.2 8,-0.2 9,-0.1 -0.244 19.7-125.9 -70.0 161.4 -3.6 5.6 -1.7 28 28 A D S S- 0 0 88 6,-1.1 7,-0.1 1,-0.3 -1,-0.1 0.962 78.9 -25.0 -72.7 -54.8 -5.6 7.1 1.2 29 29 A F S > S- 0 0 129 -3,-0.0 3,-1.2 0, 0.0 2,-0.8 -0.979 88.4 -59.9-156.1 163.0 -7.9 9.2 -0.8 30 30 A P T 3 S+ 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.240 129.3 21.0 -50.0 92.4 -8.3 11.1 -4.2 31 31 A G T 3 S+ 0 0 60 -2,-0.8 2,-0.2 1,-0.2 0, 0.0 0.678 92.9 135.6 115.5 31.8 -5.3 13.4 -3.8 32 32 A S < - 0 0 17 -3,-1.2 -1,-0.2 1,-0.1 3,-0.1 -0.689 41.8-160.6-107.8 162.2 -3.1 11.7 -1.2 33 33 A I S S+ 0 0 90 -2,-0.2 -20,-2.4 1,-0.1 -19,-0.4 0.683 76.9 46.9-110.1 -30.5 0.6 11.1 -1.1 34 34 A F E +B 12 0B 73 -22,-0.2 -6,-1.1 -21,-0.1 -22,-0.3 -0.822 62.7 153.8-114.8 154.3 0.8 8.3 1.4 35 35 A G E -BC 11 27B 1 -24,-1.7 -24,-1.5 -2,-0.3 2,-0.3 -0.652 33.6 -91.5-150.0-153.6 -1.2 5.1 1.7 36 36 A T E -BC 10 26B 58 -10,-2.0 -10,-3.0 -26,-0.2 2,-0.5 -0.909 30.7-107.4-136.1 163.1 -1.2 1.5 3.0 37 37 A c E + C 0 25B 3 -28,-1.8 -29,-1.5 -2,-0.3 2,-0.3 -0.812 39.4 175.0 -96.2 126.0 -0.3 -2.0 1.8 38 38 A S E - C 0 24B 49 -14,-3.0 -14,-2.7 -2,-0.5 2,-0.2 -0.937 38.2 -93.7-130.0 152.6 -3.2 -4.3 1.1 39 39 A R E - C 0 23B 173 -2,-0.3 2,-1.9 -16,-0.2 -16,-0.3 -0.436 30.2-134.2 -65.8 129.6 -3.5 -7.8 -0.4 40 40 A R + 0 0 142 -18,-1.1 2,-1.0 -2,-0.2 -1,-0.1 -0.359 45.4 157.7 -82.4 58.6 -4.1 -7.8 -4.1 41 41 A N 0 0 128 -2,-1.9 -2,-0.1 -19,-0.0 -1,-0.0 -0.739 360.0 360.0 -89.5 99.5 -6.9 -10.4 -3.9 42 42 A F 0 0 260 -2,-1.0 -2,-0.0 0, 0.0 -3,-0.0 -0.583 360.0 360.0 -85.8 360.0 -9.0 -10.0 -7.0