==== 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 22-NOV-06 2NZ3 . COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-ACAA; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR C.LANDON,F.BARBAULT,F.VOVELLE . 40 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 57.5 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 . 4 10.0 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 . 1 2.5 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 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 15.0 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 0 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 . 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 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 A 0 0 110 0, 0.0 29,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -40.5 7.6 1.7 7.1 2 2 A T - 0 0 106 1,-0.2 28,-0.2 27,-0.1 2,-0.2 0.993 360.0 -92.2 -68.7 -62.7 4.7 4.2 7.2 3 3 A a - 0 0 21 26,-0.2 -1,-0.2 27,-0.1 31,-0.1 -0.812 26.9 -95.8-178.8-140.1 6.1 6.8 4.8 4 4 A D - 0 0 86 -2,-0.2 2,-3.0 6,-0.1 27,-0.0 -0.068 58.7 -96.5-164.7 43.6 8.1 10.0 4.8 5 5 A L - 0 0 133 5,-0.1 2,-1.9 1,-0.1 4,-0.4 -0.247 51.3-176.3 69.3 -53.8 5.6 12.8 4.8 6 6 A A - 0 0 24 -2,-3.0 2,-0.2 2,-0.1 -1,-0.1 -0.445 40.8-101.1 65.2 -82.6 5.9 13.3 1.1 7 7 A S S > S- 0 0 75 -2,-1.9 3,-0.5 27,-0.0 -2,-0.0 -0.709 84.4 -6.9 171.3-112.4 3.6 16.3 0.9 8 8 A I T 3 S+ 0 0 163 1,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 -0.199 134.9 51.3-104.3 39.5 -0.0 16.3 -0.2 9 9 A F T > + 0 0 117 -4,-0.4 3,-2.0 3,-0.0 -1,-0.2 -0.012 57.9 140.0-163.7 35.3 0.2 12.7 -1.3 10 10 A N T < + 0 0 58 -3,-0.5 -6,-0.1 1,-0.3 20,-0.1 0.750 63.3 79.5 -57.3 -24.0 1.6 11.0 1.8 11 11 A V T >> + 0 0 91 1,-0.2 2,-3.3 2,-0.1 3,-1.3 0.510 58.8 113.7 -63.5 -3.6 -0.9 8.2 1.1 12 12 A N T <4 S+ 0 0 43 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.248 73.9 49.2 -69.7 57.8 1.6 7.0 -1.6 13 13 A H T 3> S+ 0 0 39 -2,-3.3 4,-1.3 23,-0.1 -1,-0.2 0.281 103.1 52.2-159.5 -38.0 2.3 3.8 0.4 14 14 A A H <> S+ 0 0 58 -3,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.894 111.2 47.1 -77.0 -42.9 -1.1 2.4 1.2 15 15 A L H < S+ 0 0 125 -4,-1.3 4,-0.5 2,-0.2 3,-0.5 0.943 116.9 42.0 -64.5 -50.3 -2.5 2.5 -2.4 16 16 A b H >> S+ 0 0 43 -5,-0.3 3,-1.0 1,-0.2 4,-0.9 0.891 109.1 59.8 -64.3 -41.2 0.7 0.9 -4.0 17 17 A A H 3X S+ 0 0 6 -4,-1.3 4,-3.7 1,-0.2 5,-0.4 0.775 86.9 77.4 -58.4 -30.5 1.0 -1.7 -1.1 18 18 A A H 3X S+ 0 0 57 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.2 0.877 96.0 46.1 -48.3 -45.3 -2.5 -3.1 -2.0 19 19 A H H <> S+ 0 0 122 -3,-1.0 4,-0.9 -4,-0.5 -1,-0.2 0.908 118.6 41.8 -65.0 -44.7 -1.0 -4.9 -5.0 20 20 A c H ><>S+ 0 0 3 -4,-0.9 5,-2.0 2,-0.2 3,-1.0 0.960 113.5 50.0 -68.7 -53.7 1.9 -6.2 -3.0 21 21 A I H ><5S+ 0 0 81 -4,-3.7 3,-1.9 1,-0.3 -2,-0.2 0.862 104.3 61.1 -53.4 -39.8 0.1 -7.1 0.2 22 22 A A H 3<5S+ 0 0 76 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.869 99.2 55.6 -56.6 -37.8 -2.5 -9.0 -1.9 23 23 A R T <<5S- 0 0 121 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.095 131.2 -98.1 -83.9 24.6 0.3 -11.3 -3.1 24 24 A R T < 5S+ 0 0 230 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.612 84.3 136.5 68.2 16.7 1.0 -12.0 0.6 25 25 A Y S - 0 0 64 4,-2.6 3,-2.1 -2,-0.5 4,-0.3 -0.107 39.0 -78.3 -78.8-177.2 11.9 5.7 1.2 32 32 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.777 131.5 60.0 -53.4 -31.0 13.9 8.8 2.1 33 33 A K T 3 S- 0 0 170 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.205 119.4-111.2 -85.5 18.6 13.0 10.3 -1.3 34 34 A A S < S+ 0 0 24 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.892 75.2 133.7 53.8 45.6 9.3 10.1 -0.3 35 35 A V - 0 0 76 -4,-0.3 -4,-2.6 -6,-0.1 2,-0.3 -0.982 62.5-108.4-128.0 137.3 8.6 7.4 -2.9 36 36 A b E -A 30 0A 33 -2,-0.4 2,-0.6 -6,-0.3 -6,-0.2 -0.464 24.9-165.9 -66.1 125.6 6.6 4.2 -2.4 37 37 A V E -A 29 0A 50 -8,-2.1 -8,-0.7 -2,-0.3 2,-0.3 -0.684 14.0-168.9-112.4 71.9 8.9 1.1 -2.4 38 38 A c E -A 28 0A 41 -2,-0.6 2,-0.8 -10,-0.3 -10,-0.3 -0.489 16.5-137.6 -68.1 127.0 6.3 -1.6 -2.8 39 39 A R 0 0 124 -12,-3.1 -12,-0.5 -2,-0.3 -14,-0.1 -0.766 360.0 360.0 -87.3 111.5 7.7 -5.1 -2.2 40 40 A N 0 0 99 -2,-0.8 -1,-0.2 -15,-0.1 -12,-0.0 0.512 360.0 360.0-131.8 360.0 6.2 -7.3 -4.8