==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 20-JUN-07 2JR3 . COMPND 2 MOLECULE: PELOVATERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PELODISCUS SINENSIS; . AUTHOR S.VIVEKANANDAN,R.LAKSHMINARAYANAN,S.D.S.JOIS,R.PERUMAL SAMY, . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 45.2 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 . 7 16.7 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 . 1 2.4 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 7.1 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 . 2 4.8 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 . 2 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 ANTIPARALLEL 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 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 D 0 0 177 0, 0.0 25,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.3 3.1 0.3 0.8 2 2 A D - 0 0 160 2,-0.0 24,-0.1 1,-0.0 0, 0.0 0.998 360.0-138.7 62.0 69.8 3.5 3.8 -0.8 3 3 A T - 0 0 55 24,-0.2 24,-0.0 1,-0.1 25,-0.0 -0.048 21.7 -99.4 -54.3 159.6 7.3 3.8 -1.3 4 4 A P - 0 0 97 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 0.088 55.3 -67.1 -69.8-172.8 9.3 6.9 -0.6 5 5 A S S S+ 0 0 133 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.407 88.7 133.9 -79.4 65.1 10.5 9.5 -3.1 6 6 A S - 0 0 36 -2,-2.3 2,-0.3 5,-0.0 -3,-0.0 -0.198 35.4-162.4-100.2-166.5 13.0 7.1 -4.7 7 7 A R >> - 0 0 125 -2,-0.1 3,-1.9 24,-0.1 4,-0.5 -0.909 35.3 -80.5-177.0 149.6 13.7 6.3 -8.4 8 8 A a T 34 S+ 0 0 8 22,-2.8 6,-0.2 1,-0.3 21,-0.0 -0.415 118.6 5.2 -61.5 118.0 15.4 3.7 -10.6 9 9 A G T 34 S+ 0 0 56 4,-1.7 -1,-0.3 5,-0.4 5,-0.1 0.788 106.8 99.7 77.8 28.2 19.1 4.3 -10.5 10 10 A S T <4 S- 0 0 82 -3,-1.9 -2,-0.2 3,-0.2 4,-0.1 0.515 101.2 -22.5-117.9 -15.4 18.8 7.1 -7.9 11 11 A G S < S- 0 0 73 -4,-0.5 -3,-0.1 2,-0.4 -5,-0.0 0.040 126.3 -14.5-154.3 -90.1 19.8 5.1 -4.8 12 12 A G S S+ 0 0 14 -5,-0.1 29,-2.0 29,-0.1 30,-1.2 0.491 104.7 97.4-109.8 -7.9 19.5 1.4 -4.3 13 13 A W B S-A 40 0A 22 -6,-0.4 -4,-1.7 27,-0.2 -2,-0.4 -0.664 73.8-121.9 -86.0 135.5 17.4 0.6 -7.3 14 14 A G - 0 0 11 25,-0.9 -5,-0.4 -2,-0.3 -4,-0.2 0.229 35.2 -88.5 -59.3-169.8 19.1 -0.6 -10.5 15 15 A P S S- 0 0 112 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 0.962 92.8 -37.1 -69.7 -54.8 18.8 1.2 -13.9 16 16 A b - 0 0 61 16,-0.1 22,-0.2 2,-0.0 21,-0.1 -0.747 56.0-170.3-176.9 125.5 15.7 -0.6 -15.2 17 17 A L E -B 37 0B 62 20,-3.1 20,-2.1 -2,-0.2 2,-0.3 -0.967 30.7-110.5-126.8 140.4 14.3 -4.1 -15.0 18 18 A P E >> -B 36 0B 47 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.500 16.8-140.1 -69.8 125.8 11.4 -5.8 -16.9 19 19 A I G >4 S+ 0 0 74 16,-1.3 3,-0.6 -2,-0.3 17,-0.1 0.721 96.4 81.2 -57.3 -20.3 8.4 -6.5 -14.6 20 20 A V G 34 S+ 0 0 137 15,-0.3 -1,-0.3 1,-0.3 16,-0.1 0.745 104.8 30.5 -58.1 -23.0 8.2 -9.7 -16.6 21 21 A D G <4 S+ 0 0 117 -3,-2.4 -1,-0.3 0, 0.0 -2,-0.2 0.397 93.0 133.2-114.0 -3.2 10.9 -11.1 -14.3 22 22 A L << + 0 0 38 -3,-0.6 -3,-0.0 -4,-0.5 3,-0.0 0.011 28.5 178.3 -46.1 155.8 10.0 -9.0 -11.3 23 23 A L + 0 0 158 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.433 56.5 70.0-137.9 -16.4 9.9 -10.9 -7.9 24 24 A c - 0 0 41 1,-0.1 15,-0.0 2,-0.0 -2,-0.0 -0.446 54.8-159.2-100.7 176.2 9.0 -8.1 -5.4 25 25 A I S S+ 0 0 158 -2,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 0.615 90.0 51.5-124.4 -35.7 5.9 -6.1 -4.9 26 26 A V S S+ 0 0 85 -25,-0.1 -23,-0.0 -24,-0.1 -2,-0.0 0.210 85.4 127.8 -89.9 15.1 7.0 -3.0 -3.0 27 27 A H - 0 0 29 1,-0.1 2,-0.4 -24,-0.0 12,-0.2 0.212 61.8-101.5 -57.0-172.1 9.6 -2.4 -5.7 28 28 A V B +C 38 0C 3 10,-3.2 10,-3.1 2,-0.1 -1,-0.1 -0.945 28.9 179.5-122.9 142.3 10.0 0.9 -7.5 29 29 A T + 0 0 78 -2,-0.4 2,-0.4 8,-0.2 7,-0.1 -0.229 41.6 123.2-133.0 44.4 8.8 2.0 -10.9 30 30 A V S S+ 0 0 75 1,-0.2 -22,-2.8 8,-0.1 3,-0.1 -0.889 73.5 12.2-111.3 138.7 9.9 5.6 -11.2 31 31 A G S S+ 0 0 55 -2,-0.4 -1,-0.2 1,-0.3 2,-0.1 0.368 106.9 104.2 82.3 -6.4 12.2 7.0 -13.8 32 32 A b S S- 0 0 28 4,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.359 79.1 -83.5 -98.5-179.2 11.8 3.8 -15.8 33 33 A S > - 0 0 83 -2,-0.1 3,-2.5 1,-0.1 2,-1.4 -0.454 56.0 -82.9 -84.3 158.6 9.8 3.0 -19.0 34 34 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.427 123.3 23.1 -63.7 92.7 6.1 2.1 -18.9 35 35 A G T 3 S+ 0 0 43 -2,-1.4 -16,-1.3 1,-0.3 2,-0.4 0.355 105.2 90.0 130.7 -0.1 6.3 -1.6 -18.1 36 36 A F E < +B 18 0B 93 -3,-2.5 -1,-0.3 -18,-0.2 2,-0.2 -0.991 46.9 171.8-130.7 129.9 9.7 -1.8 -16.4 37 37 A G E -B 17 0B 0 -20,-2.1 -20,-3.1 -2,-0.4 2,-0.3 -0.507 20.6-129.0-121.4-169.3 10.5 -1.5 -12.7 38 38 A a B -C 28 0C 2 -10,-3.1 -10,-3.2 -22,-0.2 2,-0.2 -0.997 11.7-156.9-148.5 142.9 13.4 -1.9 -10.3 39 39 A c - 0 0 30 -2,-0.3 -25,-0.9 -12,-0.2 2,-0.6 -0.736 45.1 -72.3-116.4 165.9 14.0 -3.7 -7.0 40 40 A R B +A 13 0A 161 -2,-0.2 -27,-0.2 1,-0.2 -1,-0.0 -0.408 55.1 164.8 -60.0 106.1 16.4 -3.2 -4.1 41 41 A I 0 0 128 -29,-2.0 -1,-0.2 -2,-0.6 -28,-0.1 0.902 360.0 360.0 -89.9 -51.9 19.7 -4.4 -5.6 42 42 A G 0 0 85 -30,-1.2 -1,-0.3 -31,-0.0 -31,-0.0 -0.908 360.0 360.0-145.3 360.0 22.2 -3.1 -3.1