==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PEPTIDE 06-APR-99 1CIX . COMPND 2 MOLECULE: PROTEIN (TACHYSTATIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS; . AUTHOR N.FUJITANI,S.KAWABATA,T.OSAKI,Y.KUMAKI,M.DEMURA,K.NITTA, . 44 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 38.6 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 20.5 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 . 3 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 9.1 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 . 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 Y 0 0 259 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.0 15.6 -9.8 -0.9 2 2 A S + 0 0 123 1,-0.1 2,-0.2 0, 0.0 0, 0.0 0.965 360.0 161.1 46.9 68.6 13.3 -7.8 -3.2 3 3 A R - 0 0 178 21,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.655 31.4-132.2-113.6 173.2 10.2 -8.5 -1.2 4 4 A a - 0 0 44 1,-0.2 19,-0.2 -2,-0.2 17,-0.0 -0.709 31.9 -86.9-119.0 172.9 6.8 -6.8 -1.0 5 5 A Q - 0 0 67 17,-0.4 19,-0.3 -2,-0.2 -1,-0.2 0.132 51.1-102.0 -63.7-168.3 4.6 -5.5 1.8 6 6 A L > - 0 0 114 4,-0.1 3,-0.6 17,-0.1 2,-0.2 -0.560 36.1 -88.2-112.0 179.8 2.1 -7.9 3.5 7 7 A Q T 3 S+ 0 0 85 1,-0.2 35,-0.2 -2,-0.2 3,-0.1 -0.607 108.1 22.4 -88.7 150.4 -1.6 -8.3 3.2 8 8 A G T 3 S+ 0 0 29 33,-1.3 -1,-0.2 -2,-0.2 34,-0.2 0.883 98.5 127.9 65.5 34.6 -4.0 -6.3 5.4 9 9 A F E < -A 41 0A 92 32,-1.1 32,-2.0 -3,-0.6 2,-0.2 -0.341 61.5 -91.8-107.9-166.9 -1.3 -3.7 6.0 10 10 A N E -A 40 0A 57 30,-0.3 30,-0.3 -2,-0.1 2,-0.3 -0.557 35.0-161.3-103.3 172.0 -1.2 0.1 5.5 11 11 A b E -A 39 0A 17 28,-1.5 28,-1.0 -2,-0.2 2,-0.5 -0.942 17.6-123.7-146.7 168.5 -0.2 2.1 2.4 12 12 A V - 0 0 49 -2,-0.3 3,-0.4 26,-0.2 26,-0.2 -0.932 15.4-177.0-121.8 112.8 0.8 5.7 1.5 13 13 A V S S+ 0 0 68 -2,-0.5 25,-0.1 1,-0.2 -1,-0.1 0.353 88.2 52.0 -87.8 9.3 -1.2 7.5 -1.2 14 14 A R + 0 0 143 23,-0.3 2,-1.5 2,-0.1 -1,-0.2 0.445 68.5 124.3-120.0 -6.0 1.2 10.5 -1.0 15 15 A S > - 0 0 30 -3,-0.4 3,-1.3 2,-0.1 2,-0.2 -0.329 51.6-157.7 -58.1 90.4 4.5 8.6 -1.5 16 16 A Y T 3 S+ 0 0 172 -2,-1.5 -2,-0.1 1,-0.2 4,-0.1 -0.481 75.2 21.9 -72.6 141.2 5.6 10.7 -4.5 17 17 A G T 3 S- 0 0 75 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.626 118.4 -94.1 78.8 9.5 8.2 8.9 -6.7 18 18 A L S < S+ 0 0 146 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.1 0.938 71.4 159.4 43.9 59.7 7.0 5.6 -5.3 19 19 A P + 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.863 51.4 70.9 -78.7 -40.6 9.7 5.6 -2.6 20 20 A T S S- 0 0 71 -8,-0.1 -8,-0.1 1,-0.1 -5,-0.0 -0.533 100.2-100.9 -78.3 144.2 7.9 3.1 -0.3 21 21 A I - 0 0 97 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.512 39.5-137.4 -67.6 122.6 7.8 -0.5 -1.5 22 22 A P - 0 0 84 0, 0.0 -17,-0.4 0, 0.0 3,-0.1 -0.462 32.3 -85.4 -78.8 149.8 4.3 -1.1 -2.9 23 23 A c - 0 0 16 -19,-0.2 3,-0.1 -2,-0.1 -17,-0.1 -0.017 58.1 -91.6 -47.6 161.5 2.5 -4.4 -2.0 24 24 A a > - 0 0 58 -19,-0.3 3,-1.8 1,-0.2 -1,-0.1 -0.246 61.2 -66.0 -73.1 168.2 3.3 -7.3 -4.4 25 25 A R T 3 S+ 0 0 235 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.213 124.5 41.5 -52.9 142.1 1.3 -8.0 -7.5 26 26 A G T 3 S+ 0 0 42 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.153 97.6 91.4 103.8 -20.3 -2.3 -9.0 -6.6 27 27 A L < - 0 0 24 -3,-1.8 -1,-0.3 16,-0.2 16,-0.3 -0.888 59.9-157.2-110.6 139.3 -2.6 -6.5 -3.8 28 28 A T E -B 42 0A 57 14,-1.5 14,-1.3 -2,-0.4 2,-0.5 -0.725 8.1-140.5-110.3 162.9 -4.1 -3.0 -4.4 29 29 A b E +B 41 0A 56 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.938 25.9 169.1-127.0 113.3 -3.6 0.2 -2.3 30 30 A R E -B 40 0A 158 10,-1.4 10,-2.0 -2,-0.5 2,-0.2 -0.843 30.8-117.8-119.9 158.8 -6.5 2.6 -1.7 31 31 A S E -B 39 0A 37 -2,-0.3 8,-0.3 8,-0.3 -19,-0.1 -0.620 24.6-117.5 -93.4 155.3 -6.9 5.5 0.7 32 32 A Y S S- 0 0 123 6,-1.2 7,-0.1 -2,-0.2 -1,-0.1 0.760 87.8 -41.5 -62.4 -19.9 -9.5 5.7 3.5 33 33 A F S > S- 0 0 166 5,-0.4 3,-0.8 0, 0.0 2,-0.5 -0.920 74.6 -65.8 168.6 167.7 -11.0 8.6 1.6 34 34 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.620 113.4 40.9 -77.3 120.6 -10.3 11.8 -0.3 35 35 A G T 3 S+ 0 0 89 -2,-0.5 2,-0.2 1,-0.4 -3,-0.0 0.506 98.1 87.9 118.4 11.4 -8.7 14.5 2.0 36 36 A S < - 0 0 53 -3,-0.8 -1,-0.4 2,-0.1 -5,-0.0 -0.534 67.7-135.4-124.0-167.4 -6.3 12.2 3.9 37 37 A T S S+ 0 0 67 -2,-0.2 -23,-0.3 -3,-0.1 2,-0.3 0.079 76.7 58.5-142.0 25.7 -2.7 10.9 3.5 38 38 A Y + 0 0 113 -5,-0.2 -6,-1.2 -26,-0.2 -5,-0.4 -0.890 48.9 161.0-145.5 176.4 -3.0 7.2 4.4 39 39 A G E -AB 11 31A 0 -28,-1.0 -28,-1.5 -8,-0.3 2,-0.3 -0.928 31.4 -96.8-173.3-163.5 -4.8 4.0 3.3 40 40 A R E -AB 10 30A 111 -10,-2.0 -10,-1.4 -30,-0.3 2,-0.4 -0.820 19.7-136.6-131.9 173.1 -4.7 0.2 3.5 41 41 A c E +AB 9 29A 0 -32,-2.0 -33,-1.3 -2,-0.3 -32,-1.1 -0.981 25.3 166.9-136.6 126.6 -3.5 -2.7 1.2 42 42 A Q E - B 0 28A 69 -14,-1.3 -14,-1.5 -2,-0.4 2,-0.8 -0.775 51.2 -96.0-129.4 175.9 -5.4 -5.9 0.6 43 43 A R 0 0 154 -16,-0.3 -16,-0.2 -2,-0.2 -36,-0.1 -0.135 360.0 360.0 -86.0 43.7 -5.1 -8.8 -1.9 44 44 A Y 0 0 235 -2,-0.8 -1,-0.2 -16,-0.2 -17,-0.1 -0.261 360.0 360.0 51.0 360.0 -7.7 -7.2 -4.2