==== 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 2E3E . COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-BBB; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR C.LANDON,F.BARBAULT,F.VOVELLE . 45 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 57.8 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 15.6 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 . 1 2.2 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 . 6 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 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 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 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 0 147 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 39.4 0.1 -13.5 -13.9 2 2 A T - 0 0 114 1,-0.1 2,-0.6 2,-0.1 3,-0.1 -0.478 360.0-130.1 -72.8 140.5 1.3 -11.3 -11.0 3 3 A a S S+ 0 0 49 1,-0.2 29,-0.8 -2,-0.2 -1,-0.1 -0.081 76.5 115.6 -82.0 38.2 -0.9 -8.2 -10.3 4 4 A D S S+ 0 0 60 -2,-0.6 -1,-0.2 27,-0.2 2,-0.2 -0.089 70.7 53.1 -97.1 33.6 2.3 -6.1 -10.4 5 5 A L + 0 0 119 27,-0.2 3,-0.2 1,-0.1 27,-0.1 -0.555 53.7 90.1-140.7-155.7 1.0 -4.2 -13.4 6 6 A A + 0 0 27 1,-0.2 2,-2.6 -2,-0.2 14,-0.4 0.882 50.0 177.2 58.1 40.3 -2.1 -2.3 -14.6 7 7 A S > - 0 0 20 -3,-0.1 3,-0.9 23,-0.1 -1,-0.2 -0.404 52.1 -91.1 -75.4 65.2 -0.5 0.9 -13.2 8 8 A F T 3 S- 0 0 65 -2,-2.6 6,-0.6 10,-0.5 3,-0.4 -0.408 98.8 -11.7 63.4-129.8 -3.4 3.1 -14.5 9 9 A S T 3 S+ 0 0 66 1,-0.2 -1,-0.2 4,-0.2 4,-0.1 -0.029 107.5 104.9 -92.9 31.8 -2.7 4.5 -18.0 10 10 A S S < S- 0 0 75 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.966 111.3 -13.9 -73.6 -53.9 0.9 3.4 -17.9 11 11 A Q S S+ 0 0 170 -3,-0.4 2,-0.3 1,-0.0 -2,-0.1 0.060 131.7 70.0-135.3 19.7 0.5 0.4 -20.2 12 12 A W S S- 0 0 165 -4,-0.3 2,-1.0 -5,-0.1 -1,-0.0 -0.993 81.1-122.5-142.2 146.9 -3.3 0.2 -20.1 13 13 A V + 0 0 139 -2,-0.3 -4,-0.2 -4,-0.1 -5,-0.0 -0.111 53.3 164.1 -79.1 39.3 -6.2 2.3 -21.4 14 14 A T - 0 0 13 -2,-1.0 -2,-0.1 -6,-0.6 -5,-0.1 -0.414 27.6-161.0 -63.8 127.0 -7.4 2.6 -17.8 15 15 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.897 67.7 -54.2 -77.8 -44.3 -9.9 5.5 -17.4 16 16 A N S S+ 0 0 115 1,-0.1 6,-0.2 -8,-0.1 -2,-0.1 0.284 95.0 121.4-167.5 -35.1 -9.7 6.0 -13.6 17 17 A D - 0 0 100 1,-0.1 3,-0.2 5,-0.1 5,-0.2 -0.219 52.5-147.3 -49.6 124.6 -10.4 2.7 -11.9 18 18 A S + 0 0 13 1,-0.2 2,-2.5 3,-0.2 -10,-0.5 0.994 35.7 156.5 -59.2 -72.8 -7.4 2.0 -9.8 19 19 A L S S- 0 0 82 1,-0.2 20,-2.6 2,-0.1 -1,-0.2 -0.141 96.5 -8.3 71.1 -42.9 -7.2 -1.8 -9.8 20 20 A b S S+ 0 0 4 -2,-2.5 -1,-0.2 -14,-0.4 -2,-0.1 -0.064 141.6 38.8-174.1 45.2 -3.5 -1.4 -9.1 21 21 A A S >> S+ 0 0 0 -14,-0.2 4,-3.3 18,-0.1 3,-0.7 0.033 93.2 54.2-156.2 -92.3 -2.8 2.3 -9.3 22 22 A A H 3> S+ 0 0 32 1,-0.3 4,-1.2 2,-0.2 -5,-0.1 0.778 113.9 45.7 -30.6 -55.4 -5.1 5.3 -8.3 23 23 A H H >> S+ 0 0 126 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.941 119.7 40.7 -59.3 -48.4 -5.5 4.0 -4.7 24 24 A c H X>>S+ 0 0 15 -3,-0.7 4,-3.3 1,-0.2 5,-2.3 0.855 105.7 65.7 -66.8 -38.4 -1.7 3.3 -4.3 25 25 A L H 3<5S+ 0 0 70 -4,-3.3 -1,-0.2 3,-0.3 -2,-0.2 0.800 90.0 67.1 -55.9 -31.8 -0.8 6.5 -6.2 26 26 A V H <<5S+ 0 0 124 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.947 114.8 27.4 -55.1 -50.5 -2.2 8.5 -3.3 27 27 A K H <<5S- 0 0 170 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.875 125.5-100.7 -78.1 -39.6 0.5 7.2 -1.0 28 28 A G T <5S+ 0 0 8 -4,-3.3 17,-2.9 1,-0.2 2,-0.3 0.673 73.7 134.2 120.7 39.4 3.0 6.7 -3.9 29 29 A Y B < -A 44 0A 76 -5,-2.3 15,-0.2 15,-0.3 -1,-0.2 -0.807 29.5-176.7-114.3 155.6 2.9 3.0 -4.7 30 30 A R + 0 0 105 13,-1.9 2,-0.2 1,-0.3 14,-0.1 -0.039 62.7 24.8-145.2 39.0 2.7 1.3 -8.1 31 31 A G + 0 0 0 12,-0.3 11,-2.4 -10,-0.1 12,-0.5 -0.686 56.9 137.8 165.2 139.4 2.5 -2.5 -7.6 32 32 A G E -B 41 0B 2 -29,-0.8 9,-0.3 9,-0.4 -27,-0.2 -0.964 54.6 -59.4 179.2 166.9 1.5 -5.1 -5.1 33 33 A Y E -B 40 0B 139 7,-0.7 7,-3.3 -2,-0.3 2,-0.2 -0.409 56.8-130.2 -64.0 127.8 -0.2 -8.5 -4.4 34 34 A a E -B 39 0B 54 5,-0.3 2,-0.4 -2,-0.2 5,-0.3 -0.516 17.4-162.8 -83.5 151.2 -3.8 -8.4 -5.4 35 35 A K E > S-B 38 0B 116 3,-2.8 2,-2.9 -2,-0.2 3,-1.0 -0.984 71.6 -30.3-136.5 119.2 -6.8 -9.5 -3.3 36 36 A N T 3 S- 0 0 166 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.380 130.8 -36.8 71.9 -63.1 -10.2 -10.2 -4.8 37 37 A K T 3 S+ 0 0 157 -2,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.336 122.2 80.5-156.1 -41.6 -9.5 -7.6 -7.6 38 38 A I E < S-B 35 0B 58 -3,-1.0 -3,-2.8 -4,-0.1 2,-0.4 -0.636 74.0-129.9 -83.0 135.2 -7.6 -4.7 -6.2 39 39 A b E -B 34 0B 2 -20,-2.6 2,-1.2 -2,-0.3 -5,-0.3 -0.680 9.7-139.3 -85.4 134.8 -3.9 -5.0 -5.8 40 40 A H E -B 33 0B 97 -7,-3.3 -7,-0.7 -2,-0.4 -1,-0.1 -0.772 28.3-134.8 -96.4 90.9 -2.5 -4.1 -2.4 41 41 A c E +B 32 0B 22 -2,-1.2 -9,-0.4 -9,-0.3 3,-0.1 -0.110 28.2 179.5 -48.9 137.2 0.7 -2.3 -3.4 42 42 A R + 0 0 106 -11,-2.4 2,-0.3 1,-0.1 -10,-0.2 -0.097 61.9 67.4-132.7 32.7 3.8 -3.2 -1.5 43 43 A D - 0 0 87 -12,-0.5 -13,-1.9 2,-0.0 2,-0.3 -0.865 63.1-155.2-158.6 118.4 6.3 -1.0 -3.2 44 44 A K B A 29 0A 138 -2,-0.3 -15,-0.3 -15,-0.2 -16,-0.1 -0.694 360.0 360.0 -95.6 147.2 6.5 2.8 -3.2 45 45 A F 0 0 169 -17,-2.9 -1,-0.0 -2,-0.3 -2,-0.0 -0.509 360.0 360.0 -96.3 360.0 8.1 4.8 -6.0