==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 23-MAR-11 2LB7 . COMPND 2 MOLECULE: ANTIMICROBIAL PEPTIDE 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM KIHARAE; . AUTHOR T.A.BALASHOVA,A.A.VASSILEVSKI,T.I.ODINTSOVA,E.V.GRISHIN,T.A. . 44 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 72.7 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 . 13 29.5 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 . 1 2.3 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-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 . 5 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.3 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 118 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 124.5 -4.9 4.8 6.6 2 2 A Q E -A 25 0A 83 23,-2.1 23,-2.9 0, 0.0 2,-0.3 -0.984 360.0-129.3-137.1 147.4 -6.1 3.9 3.2 3 3 A R E +A 24 0A 137 -2,-0.3 21,-0.3 21,-0.2 2,-0.2 -0.735 32.0 165.5 -97.4 144.1 -6.9 0.6 1.4 4 4 A b > + 0 0 0 19,-0.8 3,-1.3 -2,-0.3 8,-0.2 -0.763 36.9 34.7-141.1-174.0 -5.6 -0.4 -2.0 5 5 A G B > >S-D 11 0B 17 6,-2.2 5,-2.8 1,-0.3 3,-2.7 -0.254 124.7 -15.2 62.5-149.3 -5.1 -3.3 -4.3 6 6 A D G > 5S+ 0 0 146 1,-0.3 3,-0.9 3,-0.2 -1,-0.3 0.728 136.2 65.3 -58.7 -21.1 -7.8 -6.0 -4.3 7 7 A Q G < 5S+ 0 0 102 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.456 109.4 37.7 -80.9 -0.7 -9.0 -4.5 -1.1 8 8 A A G X 5S- 0 0 27 -3,-2.7 3,-0.6 3,-0.1 -1,-0.2 -0.081 125.1 -91.5-140.0 35.1 -9.9 -1.3 -3.1 9 9 A R T < 5S- 0 0 247 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.808 91.7 -50.2 58.1 30.1 -11.2 -2.7 -6.3 10 10 A G T 3 - 0 0 82 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.054 47.4 -75.9 -69.8-175.5 -0.3 8.2 -4.4 15 15 A N T 3 S+ 0 0 140 1,-0.2 28,-0.1 28,-0.1 3,-0.1 -0.247 110.3 42.0 -79.5 171.5 3.4 8.8 -4.0 16 16 A c T 3 S+ 0 0 67 26,-0.4 28,-1.4 1,-0.2 2,-0.3 0.634 104.0 94.0 65.9 12.5 5.3 9.1 -0.7 17 17 A L < - 0 0 21 -3,-0.5 25,-0.6 26,-0.3 2,-0.4 -0.912 67.4-135.7-133.3 160.3 3.2 6.1 0.4 18 18 A d E -B 26 0A 3 8,-2.2 8,-2.5 -2,-0.3 2,-0.7 -0.958 9.3-145.2-121.1 135.6 3.4 2.3 0.5 19 19 A a E -BC 25 39A 1 20,-2.9 19,-2.1 -2,-0.4 20,-1.9 -0.861 19.7-138.0-102.3 109.1 0.8 -0.2 -0.4 20 20 A G E >> -BC 24 37A 2 4,-3.0 4,-1.4 -2,-0.7 3,-0.9 -0.388 20.0-119.7 -66.3 137.9 0.8 -3.3 1.7 21 21 A K T 34 S+ 0 0 141 15,-2.5 2,-0.5 1,-0.3 -1,-0.1 0.792 113.6 68.8 -45.5 -30.5 0.3 -6.6 -0.1 22 22 A Y T 34 S- 0 0 185 14,-0.3 -1,-0.3 2,-0.2 -2,-0.1 -0.095 127.0 -98.9 -83.2 37.9 -2.7 -7.0 2.1 23 23 A G T <4 S+ 0 0 3 -3,-0.9 -19,-0.8 -2,-0.5 2,-0.5 0.873 86.3 132.1 47.0 43.4 -4.4 -4.1 0.2 24 24 A F E < -AB 3 20A 63 -4,-1.4 -4,-3.0 -21,-0.3 2,-0.5 -0.909 42.3-160.7-130.7 105.3 -3.4 -1.7 3.0 25 25 A b E +AB 2 19A 0 -23,-2.9 -23,-2.1 -2,-0.5 -6,-0.3 -0.734 34.1 129.4 -87.7 123.5 -1.7 1.6 2.1 26 26 A G E - B 0 18A 8 -8,-2.5 -8,-2.2 -2,-0.5 2,-0.2 -0.684 43.8-107.7-148.2-158.5 0.2 3.2 5.0 27 27 A S + 0 0 69 -2,-0.2 4,-0.5 -10,-0.2 5,-0.1 -0.700 60.5 60.7-133.8-174.6 3.5 4.8 6.0 28 28 A G S >> S- 0 0 36 16,-0.6 4,-2.4 -2,-0.2 3,-1.6 0.220 92.8 -76.4 73.5 158.9 6.5 4.0 8.2 29 29 A D H 3> S+ 0 0 139 1,-0.3 4,-2.0 3,-0.2 -1,-0.2 0.689 123.1 78.3 -63.5 -17.5 9.0 1.2 7.8 30 30 A A H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.824 117.0 12.4 -60.8 -32.0 6.3 -1.0 9.3 31 31 A Y H <4 S+ 0 0 99 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.532 131.1 53.8-119.0 -17.7 4.5 -1.1 6.0 32 32 A d H < S+ 0 0 30 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.716 87.9 99.3 -89.7 -24.8 7.3 0.4 3.8 33 33 A G S >< S- 0 0 23 -4,-2.0 3,-1.0 -5,-0.3 2,-0.7 -0.070 91.1 -87.8 -58.9 163.7 9.9 -2.1 4.9 34 34 A A T 3 S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.660 108.1 55.9 -79.5 111.9 10.7 -5.2 2.7 35 35 A G T 3 S+ 0 0 82 -2,-0.7 -1,-0.2 -4,-0.1 -2,-0.1 0.144 111.4 32.2 156.0 -23.8 8.4 -8.0 3.7 36 36 A S S < S+ 0 0 42 -3,-1.0 -15,-2.5 -5,-0.1 2,-0.4 0.188 86.6 116.6-140.0 11.9 4.9 -6.7 3.2 37 37 A e E +C 20 0A 35 -4,-0.3 -17,-0.2 -17,-0.2 3,-0.1 -0.710 18.9 147.7 -89.9 135.4 5.3 -4.2 0.3 38 38 A Q E + 0 0 106 -19,-2.1 2,-0.3 1,-0.5 3,-0.2 0.599 63.8 22.3-129.3 -51.2 3.5 -4.9 -3.0 39 39 A S E S+C 19 0A 34 -20,-1.9 -20,-2.9 1,-0.2 -1,-0.5 -0.874 116.3 20.2-124.6 157.4 2.6 -1.6 -4.6 40 40 A Q > + 0 0 54 -2,-0.3 2,-2.1 -22,-0.2 3,-0.6 0.915 67.9 177.2 53.0 47.4 3.9 1.9 -4.4 41 41 A e T 3 + 0 0 75 1,-0.2 -1,-0.2 -3,-0.2 -23,-0.1 -0.425 60.6 70.7 -81.3 65.1 7.2 0.7 -2.9 42 42 A R T 3 + 0 0 217 -2,-2.1 -26,-0.4 -25,-0.6 -1,-0.2 0.126 63.6 139.7-165.6 25.8 8.8 4.1 -2.8 43 43 A G < 0 0 23 -3,-0.6 -26,-0.3 -27,-0.2 -27,-0.1 -0.021 360.0 360.0 -70.0 179.9 7.0 6.0 -0.0 44 44 A c 0 0 105 -28,-1.4 -16,-0.6 -29,-0.1 -1,-0.1 -0.389 360.0 360.0 -95.7 360.0 8.6 8.3 2.5