==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 22-NOV-06 2E3G . COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-DAA; . 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) . 2962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 60.0 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 . 5 12.5 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 2.5 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 . 5 12.5 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 . 2 5.0 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 1 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 . 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 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 54 0, 0.0 3,-1.4 0, 0.0 2,-1.2 0.000 360.0 360.0 360.0 65.3 1.5 9.3 -11.4 2 2 A T T 3 + 0 0 78 28,-1.0 32,-0.4 1,-0.2 7,-0.0 -0.446 360.0 64.5 -63.5 94.1 -0.4 12.0 -9.6 3 3 A a T 3 S- 0 0 51 -2,-1.2 -1,-0.2 31,-0.1 6,-0.1 0.103 126.8 -47.4-177.8 -40.7 2.3 13.3 -7.3 4 4 A D < - 0 0 101 -3,-1.4 -2,-0.1 6,-0.1 4,-0.1 0.078 54.7-145.5-176.8 -45.6 5.0 14.9 -9.5 5 5 A L + 0 0 107 5,-0.2 3,-0.3 -4,-0.2 4,-0.1 0.900 44.2 147.1 61.6 45.5 5.8 12.5 -12.4 6 6 A A S S- 0 0 56 1,-0.3 2,-0.2 0, 0.0 -1,-0.0 0.908 82.9 -0.9 -74.8 -42.3 9.5 13.5 -12.5 7 7 A S S S- 0 0 78 0, 0.0 2,-2.7 0, 0.0 -1,-0.3 -0.694 130.7 -51.3-152.5 87.3 10.6 10.0 -13.6 8 8 A K S S- 0 0 157 -3,-0.3 2,-0.1 -2,-0.2 -4,-0.1 -0.302 135.2 -3.3 74.5 -52.2 7.7 7.5 -13.8 9 9 A W S S- 0 0 44 -2,-2.7 4,-0.4 2,-0.1 -7,-0.1 -0.591 74.7-148.6-171.0 100.5 6.7 8.6 -10.3 10 10 A N S S+ 0 0 72 -9,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.194 80.9 12.3 -65.4 162.2 8.6 11.1 -8.2 11 11 A W S > S+ 0 0 62 1,-0.1 3,-2.1 -7,-0.1 2,-0.5 -0.568 93.5 104.8 68.4-114.5 8.5 10.7 -4.5 12 12 A N G > >S+ 0 0 2 -2,-0.5 5,-3.1 1,-0.3 3,-1.2 -0.252 88.5 32.8 49.6 -99.8 6.9 7.2 -4.3 13 13 A H G 3 5S+ 0 0 91 -2,-0.5 -1,-0.3 -4,-0.4 5,-0.2 0.671 97.3 94.2 -57.3 -22.4 10.0 5.0 -3.4 14 14 A T G < 5S- 0 0 94 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.1 0.851 120.9 -55.5 -40.4 -48.5 11.3 8.0 -1.4 15 15 A L T <>5S+ 0 0 116 -3,-1.2 4,-1.0 0, 0.0 -2,-0.1 0.269 131.3 70.2-166.5 -36.2 9.7 6.7 1.8 16 16 A b H >>5S+ 0 0 28 -4,-0.4 3,-0.8 1,-0.2 4,-0.7 0.951 107.8 39.6 -62.1 -50.4 6.0 6.1 1.3 17 17 A A H 3> S+ 0 0 44 -6,-0.5 4,-2.2 1,-0.3 -1,-0.2 0.838 91.4 57.1 -52.4 -35.3 9.5 2.0 1.2 19 19 A H H S+ 0 0 1 -4,-0.7 4,-2.7 -3,-0.5 5,-1.6 0.849 109.6 57.4 -67.9 -34.4 5.2 -1.4 1.1 21 21 A I H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 105.2 50.0 -62.1 -44.1 8.7 -2.7 -0.0 22 22 A A H <5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.0 51.8 -62.4 -33.8 9.4 -3.8 3.5 23 23 A R H <5S- 0 0 168 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.987 127.9 -93.8 -65.6 -59.9 6.0 -5.6 3.4 24 24 A R T <5S+ 0 0 185 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.142 88.4 109.9 164.0 -17.5 6.7 -7.5 0.1 25 25 A Y S - 0 0 41 4,-1.8 3,-2.1 -2,-1.1 5,-0.0 -0.373 26.6-113.6 -71.4 154.8 -2.6 8.0 -5.8 32 32 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.883 121.8 52.5 -55.6 -38.5 -4.5 11.2 -6.6 33 33 A K T 3 S- 0 0 161 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.043 127.5-102.2 -86.9 26.7 -4.7 11.9 -2.9 34 34 A A S < S+ 0 0 60 -3,-2.1 2,-0.4 -32,-0.4 -2,-0.2 0.888 74.6 146.5 54.1 46.8 -0.9 11.4 -2.6 35 35 A V - 0 0 64 -6,-0.0 -4,-1.8 2,-0.0 2,-1.4 -0.944 48.8-139.2-116.6 132.8 -1.2 7.9 -1.2 36 36 A b E -A 30 0A 20 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.649 22.2-160.7 -90.4 82.7 1.2 5.1 -1.9 37 37 A V E -A 29 0A 50 -2,-1.4 -8,-0.8 -8,-0.8 -10,-0.1 -0.521 29.5-108.9 -67.2 117.0 -1.1 2.2 -2.3 38 38 A c E +A 28 0A 42 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.3 -0.234 60.5 145.2 -50.9 121.6 1.0 -1.0 -1.8 39 39 A R E A 27 0A 94 -12,-2.4 -12,-2.2 -22,-0.1 -15,-0.1 -0.981 360.0 360.0-160.1 150.5 1.4 -2.7 -5.2 40 40 A N 0 0 137 -2,-0.3 -15,-0.0 -14,-0.2 -2,-0.0 -0.861 360.0 360.0-102.8 360.0 3.9 -4.7 -7.1