==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 20-MAY-03 1UEO . COMPND 2 MOLECULE: PENAEIDIN-3A; . SOURCE 2 ORGANISM_SCIENTIFIC: LITOPENAEUS VANNAMEI; . AUTHOR Y.YANG,J.PONCET,J.GARNIER,C.ZATYLNY,E.BACHERE,A.AUMELAS . 63 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 28.6 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 . 0 0.0 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 . 7 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 14.3 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 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 209 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 173.7 42.5 -4.1 13.3 2 2 A V - 0 0 109 1,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.340 360.0 -99.7 -73.5 158.3 43.0 -0.6 11.8 3 3 A Y - 0 0 227 2,-0.1 2,-0.8 1,-0.0 -1,-0.1 -0.682 34.7-164.1 -82.8 118.7 40.1 1.1 9.9 4 4 A K - 0 0 158 -2,-0.6 2,-1.2 1,-0.1 3,-0.4 -0.822 9.8-178.0-105.9 99.5 40.6 0.7 6.1 5 5 A G S S+ 0 0 75 -2,-0.8 6,-0.4 1,-0.2 -1,-0.1 -0.372 74.8 50.1 -91.3 58.7 38.3 3.2 4.3 6 6 A G - 0 0 33 -2,-1.2 2,-0.8 5,-0.2 -1,-0.2 0.072 64.4-175.3 174.1 56.6 39.4 2.1 0.8 7 7 A Y S S- 0 0 203 -3,-0.4 2,-3.2 1,-0.2 -2,-0.0 -0.532 81.2 -40.1 -69.3 106.5 39.3 -1.7 0.2 8 8 A A S S+ 0 0 101 -2,-0.8 -1,-0.2 1,-0.0 0, 0.0 -0.254 133.5 78.0 70.2 -58.7 40.7 -2.1 -3.3 9 9 A R S S- 0 0 167 -2,-3.2 2,-0.3 3,-0.0 -1,-0.0 -0.712 86.4-126.7 -85.9 127.4 38.9 1.0 -4.5 10 10 A P S S- 0 0 98 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.542 88.4 -4.0 -73.0 127.8 40.4 4.3 -3.5 11 11 A I S S- 0 0 142 -6,-0.4 2,-2.1 -2,-0.3 -5,-0.2 0.977 77.9-164.1 52.1 65.1 37.9 6.6 -1.7 12 12 A P - 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 -0.477 7.5-166.7 -79.7 71.9 34.9 4.2 -2.2 13 13 A R - 0 0 189 -2,-2.1 -7,-0.0 -3,-0.2 0, 0.0 -0.459 18.7-126.8 -64.5 123.3 32.2 6.8 -1.4 14 14 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.384 25.7-106.2 -70.9 148.8 28.9 5.0 -0.9 15 15 A P - 0 0 108 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.279 35.1-107.6 -72.0 160.6 25.8 6.1 -3.0 16 16 A P - 0 0 99 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.003 56.2 -56.9 -76.1-173.2 23.0 8.0 -1.4 17 17 A F - 0 0 184 1,-0.0 2,-0.4 3,-0.0 0, 0.0 -0.343 54.5-151.7 -67.2 148.7 19.5 6.6 -0.7 18 18 A V - 0 0 105 -3,-0.1 -1,-0.0 -2,-0.0 0, 0.0 -0.944 24.9-101.2-124.3 145.3 17.5 5.1 -3.6 19 19 A R - 0 0 207 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.497 42.7-145.2 -66.5 116.5 13.8 4.8 -4.2 20 20 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.077 6.8-125.4 -72.7 178.0 12.8 1.2 -3.3 21 21 A L - 0 0 157 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.862 16.7-153.6-134.4 101.9 10.0 -0.7 -5.2 22 22 A P - 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.485 8.4-172.0 -73.1 138.2 7.2 -2.3 -3.1 23 23 A G - 0 0 79 -2,-0.2 0, 0.0 3,-0.0 0, 0.0 0.892 16.8-170.8 -96.0 -61.9 5.5 -5.3 -4.6 24 24 A G - 0 0 61 2,-0.0 2,-0.1 4,-0.0 0, 0.0 -0.154 39.1 -44.3 90.3 169.2 2.5 -6.1 -2.4 25 25 A P - 0 0 121 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.338 63.3-111.8 -70.7 152.1 0.2 -9.2 -2.4 26 26 A I S S+ 0 0 166 1,-0.2 -2,-0.0 2,-0.1 -3,-0.0 -0.546 91.5 27.7 -85.4 152.6 -1.0 -10.5 -5.8 27 27 A G + 0 0 36 -2,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.998 63.1 175.3 62.0 73.0 -4.7 -10.2 -6.7 28 28 A P + 0 0 106 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 0.831 67.1 70.2 -78.3 -34.5 -5.8 -7.1 -4.7 29 29 A Y + 0 0 110 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.422 66.4 110.7 -82.7 67.8 -9.3 -7.0 -6.2 30 30 A N S S+ 0 0 135 -2,-2.0 -1,-0.2 -3,-0.2 0, 0.0 -0.137 78.5 29.0-132.4 41.2 -10.6 -10.2 -4.4 31 31 A G S S+ 0 0 67 -3,-0.1 -1,-0.1 1,-0.1 16,-0.1 0.207 100.1 69.4 171.0 47.1 -13.1 -8.8 -1.8 32 32 A a - 0 0 13 -3,-0.1 6,-0.1 15,-0.0 -1,-0.1 -0.261 56.5-164.8-176.2 78.6 -14.8 -5.6 -2.8 33 33 A P > - 0 0 55 0, 0.0 3,-1.5 0, 0.0 -3,-0.0 -0.310 30.5-120.3 -67.9 151.1 -17.4 -5.7 -5.7 34 34 A V T 3 S+ 0 0 87 1,-0.3 20,-0.2 2,-0.1 0, 0.0 0.842 112.3 63.2 -62.8 -31.2 -18.4 -2.3 -7.3 35 35 A S T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.653 100.5-136.3 -69.2 -12.4 -22.1 -3.0 -6.3 36 36 A b < + 0 0 31 -3,-1.5 3,-0.4 1,-0.2 2,-0.3 0.814 58.1 137.7 61.8 27.7 -21.0 -2.9 -2.6 37 37 A R + 0 0 189 1,-0.2 -1,-0.2 7,-0.0 -2,-0.1 -0.822 50.8 31.5-107.0 146.3 -23.2 -6.0 -2.0 38 38 A G S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.731 98.9 100.0 84.9 22.4 -22.2 -9.1 0.1 39 39 A I S S- 0 0 43 -3,-0.4 -1,-0.3 -7,-0.0 -7,-0.0 -0.971 73.5-107.8-138.9 155.0 -20.1 -7.0 2.6 40 40 A S > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.287 36.5-107.2 -74.5 165.8 -20.6 -5.5 6.1 41 41 A F H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.956 123.2 43.6 -60.0 -48.8 -21.0 -1.8 6.6 42 42 A S H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 111.2 56.2 -65.8 -33.8 -17.5 -1.4 8.1 43 43 A Q H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.952 108.1 46.5 -63.5 -46.4 -16.1 -3.7 5.3 44 44 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.899 111.3 52.7 -63.5 -37.7 -17.5 -1.4 2.6 45 45 A R H X S+ 0 0 159 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.916 106.5 53.5 -64.5 -40.9 -16.1 1.6 4.4 46 46 A S H X S+ 0 0 45 -4,-2.3 4,-1.6 1,-0.2 3,-0.2 0.921 107.7 49.5 -61.5 -44.0 -12.6 -0.0 4.5 47 47 A a H X S+ 0 0 14 -4,-1.9 4,-3.1 1,-0.2 6,-1.4 0.851 101.3 64.2 -67.0 -31.2 -12.5 -0.6 0.7 48 48 A c H X S+ 0 0 36 -4,-1.5 4,-1.2 6,-0.4 -1,-0.2 0.933 113.0 33.8 -58.7 -42.5 -13.5 3.0 0.0 49 49 A S H < S+ 0 0 115 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.738 119.2 53.5 -84.5 -22.1 -10.2 4.2 1.6 50 50 A R H < S- 0 0 188 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.862 138.5 -6.1 -81.0 -36.0 -8.2 1.2 0.4 51 51 A L H < S- 0 0 97 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.203 95.0-103.2-144.5 18.3 -9.2 1.5 -3.3 52 52 A G S < S+ 0 0 41 -4,-1.2 2,-0.4 -5,-0.5 3,-0.3 0.868 80.1 135.6 61.3 31.7 -11.8 4.3 -3.6 53 53 A R + 0 0 87 -6,-1.4 -1,-0.2 1,-0.2 -2,-0.2 -0.931 60.6 9.5-117.6 137.7 -14.5 1.6 -4.0 54 54 A b S S+ 0 0 9 -2,-0.4 3,-0.4 -20,-0.2 -6,-0.4 0.966 74.9 146.9 64.3 52.5 -17.9 1.5 -2.2 55 55 A c + 0 0 74 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.692 67.8 47.7 -92.0 -20.4 -17.5 5.1 -0.8 56 56 A H S S+ 0 0 148 3,-0.0 2,-0.4 -8,-0.0 -1,-0.2 -0.193 75.3 155.7-112.8 42.5 -21.3 5.9 -1.0 57 57 A V + 0 0 44 -3,-0.4 -21,-0.1 -16,-0.1 -12,-0.0 -0.531 55.8 23.8 -71.2 125.5 -22.6 2.8 0.7 58 58 A G + 0 0 66 -2,-0.4 2,-0.3 1,-0.1 3,-0.1 0.464 67.7 177.4 91.2 125.5 -26.1 3.5 2.2 59 59 A K + 0 0 168 2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.963 43.2 5.2-161.0 141.8 -28.4 6.3 1.1 60 60 A G S S- 0 0 67 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.155 104.6 -34.0 74.7-176.6 -32.0 7.5 1.9 61 61 A Y - 0 0 200 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.438 64.4-172.0 -76.2 152.3 -34.0 6.1 4.8 62 62 A S 0 0 95 -2,-0.1 -2,-0.0 -4,-0.0 -1,-0.0 -0.983 360.0 360.0-143.7 154.8 -33.7 2.4 5.6 63 63 A G 0 0 123 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.561 360.0 360.0 68.5 360.0 -35.4 -0.2 7.9