==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 20-JUL-11 2LG4 . COMPND 2 MOLECULE: AURELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AURELIA AURITA; . AUTHOR Z.SHENKAREV,D.ALTUKHOV . 40 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 52.5 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 . 2 5.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.5 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 1 0 0 0 1 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 . 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 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 A 0 0 142 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.5 -1.2 4.9 3.2 2 2 A A - 0 0 75 1,-0.1 2,-0.5 38,-0.0 32,-0.1 -0.285 360.0-119.0 -73.2 161.2 -1.6 2.5 0.3 3 3 A a + 0 0 41 37,-0.1 2,-0.3 31,-0.0 -1,-0.1 -0.891 56.3 103.0-107.6 131.2 -4.6 0.2 -0.1 4 4 A S - 0 0 51 -2,-0.5 30,-1.0 35,-0.0 31,-0.5 -0.974 67.1 -68.9 179.8-177.3 -4.2 -3.6 -0.1 5 5 A D B +A 33 0A 69 -2,-0.3 28,-0.2 28,-0.2 27,-0.1 -0.837 37.9 163.4-100.6 130.6 -4.5 -6.9 1.9 6 6 A R + 0 0 123 26,-2.4 27,-0.2 -2,-0.5 -1,-0.1 0.610 45.7 103.0-114.6 -24.7 -2.1 -7.5 4.8 7 7 A A S S- 0 0 21 25,-2.8 -2,-0.0 22,-0.1 22,-0.0 0.102 98.4 -84.3 -52.2 173.3 -4.0 -10.3 6.6 8 8 A H - 0 0 186 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.773 64.9-116.9 -53.9 -26.2 -2.9 -13.9 6.2 9 9 A G S > S+ 0 0 36 23,-0.1 4,-1.1 0, 0.0 3,-0.3 -0.383 105.8 64.8 120.9 -55.0 -4.9 -14.0 3.0 10 10 A H H > S+ 0 0 160 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.483 92.6 69.8 -79.5 -2.6 -7.6 -16.5 3.7 11 11 A I H > S+ 0 0 75 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.878 97.7 46.0 -81.0 -41.1 -9.0 -14.2 6.4 12 12 A b H 4 S+ 0 0 2 -3,-0.3 6,-0.2 2,-0.2 -2,-0.2 0.931 119.0 41.0 -67.1 -47.1 -10.3 -11.5 4.1 13 13 A E H >< S+ 0 0 155 -4,-1.1 3,-1.8 1,-0.2 4,-0.3 0.948 114.3 50.8 -66.4 -50.4 -12.0 -14.0 1.7 14 14 A S H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 125.1 31.5 -58.9 -25.6 -13.3 -16.2 4.5 15 15 A F T 3< S+ 0 0 65 -4,-1.1 3,-0.3 1,-0.1 -1,-0.3 -0.173 82.1 120.4-125.3 38.6 -14.7 -13.0 6.1 16 16 A K S X S+ 0 0 115 -3,-1.8 3,-1.3 1,-0.2 4,-0.2 0.918 80.2 45.8 -68.2 -44.6 -15.4 -11.0 2.9 17 17 A S T 3 S+ 0 0 89 -4,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.516 105.3 65.3 -76.3 -4.3 -19.1 -10.7 3.7 18 18 A F T > S+ 0 0 96 -3,-0.3 3,-2.2 -6,-0.2 -1,-0.3 0.470 71.5 93.2 -94.8 -4.5 -18.1 -9.8 7.2 19 19 A c T < S+ 0 0 13 -3,-1.3 -1,-0.2 1,-0.3 11,-0.1 0.755 83.5 56.0 -59.3 -24.0 -16.4 -6.6 6.1 20 20 A K T 3 S+ 0 0 166 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.3 0.111 81.4 129.6 -95.3 20.8 -19.8 -4.9 6.8 21 21 A D < - 0 0 56 -3,-2.2 8,-0.1 1,-0.1 6,-0.1 -0.613 53.1-151.9 -80.1 132.2 -19.8 -6.2 10.4 22 22 A S S S+ 0 0 128 -2,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.462 75.4 79.9 -80.7 -1.1 -20.4 -3.6 13.1 23 23 A G S >> S- 0 0 28 1,-0.0 4,-1.7 4,-0.0 3,-0.8 -0.295 105.7 -84.4 -97.0-175.8 -18.3 -5.7 15.5 24 24 A R H 3> S+ 0 0 207 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.884 124.8 64.2 -55.6 -41.0 -14.6 -6.1 16.0 25 25 A N H 3> S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.876 104.9 46.1 -50.9 -41.2 -14.6 -8.7 13.2 26 26 A G H <> S+ 0 0 1 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.929 110.9 50.3 -69.2 -46.5 -15.6 -6.0 10.8 27 27 A V H X S+ 0 0 98 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.922 111.9 47.8 -57.8 -46.8 -13.0 -3.4 12.0 28 28 A K H X S+ 0 0 137 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.805 109.7 55.7 -64.8 -29.4 -10.2 -5.9 11.8 29 29 A L H X S+ 0 0 6 -4,-1.2 4,-1.6 -5,-0.3 8,-0.2 0.925 106.8 46.9 -69.2 -46.1 -11.4 -6.8 8.3 30 30 A R H < S+ 0 0 140 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.678 119.5 44.0 -69.5 -17.0 -11.2 -3.3 7.0 31 31 A A H >< S+ 0 0 45 -4,-1.0 3,-0.7 -5,-0.2 -2,-0.2 0.899 121.1 33.9 -91.7 -53.6 -7.8 -3.0 8.6 32 32 A N H 3< S+ 0 0 65 -4,-3.3 -25,-2.8 1,-0.3 -26,-2.4 0.620 133.6 34.4 -77.6 -12.9 -6.2 -6.3 7.6 33 33 A b B 3X +A 5 0A 0 -4,-1.6 4,-2.1 -5,-0.3 5,-0.3 -0.426 63.1 155.9-140.1 61.5 -8.1 -6.2 4.3 34 34 A K T <4>S+ 0 0 52 -30,-1.0 5,-1.7 -3,-0.7 4,-0.4 0.714 85.8 40.8 -60.2 -19.4 -8.4 -2.5 3.3 35 35 A K T 45S+ 0 0 118 -31,-0.5 3,-0.3 3,-0.2 -1,-0.2 0.900 109.7 52.1 -92.9 -56.4 -8.8 -3.9 -0.3 36 36 A T T 45S+ 0 0 25 1,-0.3 -2,-0.2 -7,-0.1 -17,-0.1 0.800 118.3 42.5 -51.1 -30.3 -11.0 -6.9 0.2 37 37 A c T <5S- 0 0 31 -4,-2.1 -1,-0.3 -8,-0.2 -2,-0.2 0.772 119.4-113.5 -87.3 -29.9 -13.4 -4.5 2.1 38 38 A G T 5 + 0 0 54 -4,-0.4 -3,-0.2 -5,-0.3 -2,-0.1 0.883 65.6 137.4 93.6 79.5 -12.9 -1.7 -0.4 39 39 A L < 0 0 85 -5,-1.7 -4,-0.2 1,-0.0 -5,-0.1 0.247 360.0 360.0-133.8 6.7 -11.2 1.3 1.1 40 40 A a 0 0 121 -6,-0.3 -37,-0.1 -5,-0.2 -5,-0.1 0.146 360.0 360.0 -69.5 360.0 -8.8 2.2 -1.8