==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 27-MAY-03 1PFP . COMPND 2 MOLECULE: PROTEGRIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.-P.STRUB,F.HOH,J.-F.SANCHEZ,J.M.STRUB,A.BOCK,A.AUMELAS, . 87 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 56.3 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 . 26 29.9 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 . 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 . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 16.1 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 1 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 0 1 1 0 1 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 31 A A > 0 0 99 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.6 -9.5 13.8 64.2 2 32 A L H > + 0 0 98 2,-0.2 4,-2.4 1,-0.1 5,-0.1 0.887 360.0 50.7 -76.7 -43.0 -9.2 15.1 60.6 3 33 A S H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.867 108.1 56.7 -51.8 -43.2 -12.9 16.1 60.7 4 34 A Y H >> S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 3,-0.8 0.984 109.1 40.9 -55.2 -65.9 -12.0 17.8 64.0 5 35 A R H 3X S+ 0 0 130 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.880 115.4 53.6 -48.9 -44.1 -9.2 20.1 62.6 6 36 A E H 3X S+ 0 0 100 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.798 107.3 50.2 -65.6 -32.7 -11.4 20.7 59.5 7 37 A A H X S+ 0 0 131 -4,-2.1 4,-2.7 2,-0.2 3,-0.6 0.878 107.6 56.2 -69.7 -36.4 -17.6 31.6 60.2 15 45 A L H 3< S+ 0 0 18 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.898 106.2 51.6 -58.2 -40.3 -15.9 33.9 62.7 16 46 A N H 3< S+ 0 0 6 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.696 110.6 49.5 -67.7 -23.3 -14.7 35.9 59.7 17 47 A E H << S+ 0 0 142 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.954 112.2 44.5 -74.1 -58.2 -18.4 36.0 58.5 18 48 A Q S < S+ 0 0 126 -4,-2.7 -2,-0.2 2,-0.0 2,-0.2 0.466 100.2 101.5 -67.9 -1.5 -19.8 37.2 61.8 19 49 A S - 0 0 18 -4,-0.4 -3,-0.0 -5,-0.2 5,-0.0 -0.512 46.3-177.4 -84.6 152.3 -17.0 39.7 62.1 20 50 A S + 0 0 115 -2,-0.2 -1,-0.1 3,-0.0 -4,-0.1 0.205 51.1 120.3-122.9 4.7 -17.1 43.4 61.3 21 51 A E S S- 0 0 61 1,-0.1 31,-0.2 2,-0.1 -2,-0.1 -0.292 76.5-114.4 -55.7 150.7 -13.4 43.8 62.1 22 52 A A S S+ 0 0 73 29,-0.1 30,-3.4 30,-0.1 2,-0.3 0.764 88.6 47.3 -65.4 -29.4 -11.4 45.1 59.1 23 53 A N E S-A 51 0A 31 28,-0.3 2,-0.2 29,-0.1 -2,-0.1 -0.826 81.6-106.0-126.3 152.3 -9.3 41.9 58.4 24 54 A L E - 0 0 8 26,-2.4 24,-2.2 -2,-0.3 2,-0.3 -0.473 31.6-143.9 -68.7 144.0 -9.5 38.2 58.1 25 55 A Y E -A 47 0A 9 -13,-0.2 2,-0.3 22,-0.2 22,-0.2 -0.819 14.6-161.5-105.7 152.4 -8.2 36.1 61.0 26 56 A R E -A 46 0A 59 20,-2.2 20,-2.3 -2,-0.3 -17,-0.0 -0.960 32.1 -82.6-136.4 154.1 -6.5 32.8 60.5 27 57 A L E +A 45 0A 50 -2,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.253 42.2 170.6 -56.3 123.2 -5.7 29.8 62.6 28 58 A L E - 0 0 71 16,-2.7 2,-0.3 1,-0.4 17,-0.2 0.794 66.1 -5.5 -99.6 -41.6 -2.5 30.4 64.6 29 59 A E E -A 44 0A 112 15,-1.6 15,-2.6 2,-0.0 2,-0.6 -0.984 53.5-144.5-161.6 137.9 -2.6 27.4 67.0 30 60 A L E -A 43 0A 53 -2,-0.3 13,-0.2 13,-0.2 -25,-0.0 -0.950 23.9-164.8-111.9 108.4 -4.9 24.5 67.8 31 61 A D 0 0 45 11,-1.6 11,-0.3 -2,-0.6 -2,-0.0 -0.054 360.0 360.0 -82.8-169.7 -4.9 23.5 71.5 32 62 A Q 0 0 220 9,-0.1 -1,-0.1 11,-0.0 11,-0.0 -0.550 360.0 360.0-100.0 360.0 -6.3 20.2 73.0 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 69 A D 0 0 171 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.8 -17.9 10.4 71.6 35 70 A P - 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.655 360.0 -72.4 -84.7 -14.7 -21.4 9.6 70.2 36 71 A G S S+ 0 0 57 1,-0.3 43,-0.2 2,-0.1 42,-0.2 0.138 89.3 140.3 129.6 -11.2 -21.8 12.6 67.7 37 72 A T - 0 0 90 1,-0.1 -1,-0.3 40,-0.1 41,-0.2 -0.301 67.5 -77.5 -60.2 147.3 -22.3 15.2 70.4 38 73 A P - 0 0 58 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.133 50.7-126.6 -47.0 145.9 -20.5 18.5 69.8 39 74 A K E - B 0 76A 25 37,-3.0 37,-1.8 -3,-0.1 2,-0.2 -0.810 16.2-113.1-108.0 135.3 -16.7 18.6 70.5 40 75 A P E - B 0 75A 99 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.484 35.6-170.3 -64.4 130.0 -14.8 21.0 72.7 41 76 A V E + B 0 74A 7 33,-1.2 33,-1.4 -2,-0.2 2,-0.3 -0.951 15.9 177.8-121.8 138.7 -12.4 23.3 70.9 42 77 A S E + B 0 73A 27 -2,-0.4 -11,-1.6 -11,-0.3 2,-0.3 -0.953 25.3 140.5-132.2 125.2 -9.7 25.6 72.1 43 78 A F E -AB 30 72A 0 29,-2.4 29,-4.1 -2,-0.3 2,-0.3 -0.984 39.8-124.1-153.3 163.9 -7.6 27.5 69.6 44 79 A T E -AB 29 71A 14 -15,-2.6 -16,-2.7 -2,-0.3 -15,-1.6 -0.854 18.2-165.2-109.4 152.0 -5.9 30.8 68.8 45 80 A V E -AB 27 70A 2 25,-2.4 25,-3.1 -2,-0.3 2,-0.3 -0.958 4.3-155.8-130.3 153.7 -6.3 33.0 65.7 46 81 A K E -AB 26 69A 45 -20,-2.3 -20,-2.2 -2,-0.3 23,-0.2 -0.963 26.1-102.8-133.7 144.8 -4.3 35.9 64.5 47 82 A E E -A 25 0A 20 21,-2.3 17,-2.5 -2,-0.3 -22,-0.2 -0.301 37.4-155.9 -67.5 143.4 -5.1 38.9 62.3 48 83 A T E -D 63 0B 0 -24,-2.2 15,-0.2 15,-0.3 14,-0.1 -0.655 30.0-106.7-113.5 176.1 -3.8 38.8 58.7 49 84 A V E S+ 0 0 81 13,-2.2 14,-0.1 -2,-0.2 -24,-0.1 0.487 88.8 100.7 -78.8 -6.1 -3.0 41.4 56.0 50 85 A X E S- 0 0 22 12,-0.3 -26,-2.4 -26,-0.2 -2,-0.3 -0.696 77.2-121.5 -86.4 126.1 -6.2 40.5 54.0 51 86 A P E -A 23 0A 72 0, 0.0 -28,-0.3 0, 0.0 -29,-0.1 -0.352 33.0-106.9 -64.7 153.9 -9.3 42.8 54.4 52 87 A R S S+ 0 0 73 -30,-3.4 2,-1.7 1,-0.2 -29,-0.1 0.786 109.2 64.6 -63.1 -41.9 -12.3 41.0 55.7 53 88 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.633 77.5 125.1 -80.3 84.8 -14.5 40.8 52.5 54 89 A T - 0 0 53 -2,-1.7 -4,-0.0 2,-0.1 -31,-0.0 -0.934 55.4-152.2-151.3 117.4 -12.0 38.6 50.7 55 90 A R + 0 0 256 -2,-0.3 -3,-0.0 2,-0.1 -1,-0.0 0.302 66.7 110.3 -75.9 7.5 -12.7 35.2 49.0 56 91 A Q S S- 0 0 106 1,-0.1 -2,-0.1 2,-0.0 5,-0.1 -0.699 81.6-109.2 -77.9 134.6 -9.1 34.1 49.6 57 92 A P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.454 26.7-118.3 -61.1 142.7 -8.9 31.4 52.2 58 93 A P G > S+ 0 0 16 0, 0.0 3,-2.1 0, 0.0 -8,-0.1 0.794 110.2 67.2 -53.2 -34.3 -7.3 32.8 55.4 59 94 A E G 3 S+ 0 0 132 1,-0.3 -33,-0.1 3,-0.0 -3,-0.0 0.668 94.2 55.7 -69.3 -16.2 -4.5 30.3 55.1 60 95 A L G < S+ 0 0 114 -3,-2.0 2,-0.5 2,-0.1 -1,-0.3 0.456 94.0 90.9 -84.6 -1.4 -3.2 32.0 51.9 61 96 A X S < S- 0 0 2 -3,-2.1 3,-0.1 -4,-0.2 -35,-0.0 -0.844 79.1-123.3-105.4 123.6 -3.0 35.4 53.9 62 97 A D - 0 0 117 -2,-0.5 -13,-2.2 1,-0.1 -12,-0.3 -0.254 33.1-102.8 -55.3 142.9 0.2 36.4 55.7 63 98 A F B -D 48 0B 69 -15,-0.2 2,-0.4 -14,-0.1 -15,-0.3 -0.438 39.0-114.0 -60.6 139.2 -0.1 37.1 59.4 64 99 A K > - 0 0 78 -17,-2.5 3,-1.6 4,-0.1 2,-0.3 -0.667 27.1-115.0 -77.2 128.4 -0.2 40.8 60.1 65 100 A E T 3 S+ 0 0 150 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.522 106.8 10.2 -56.6 126.1 2.9 42.1 62.1 66 101 A N T 3 S+ 0 0 136 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.874 97.4 162.4 65.8 32.5 1.4 43.3 65.4 67 102 A G < - 0 0 8 -3,-1.6 -1,-0.2 -20,-0.2 -18,-0.0 -0.663 45.9 -98.5 -84.8 142.7 -1.8 41.7 64.5 68 103 A R - 0 0 105 -2,-0.3 -21,-2.3 -3,-0.1 2,-0.4 -0.338 35.1-148.6 -57.3 140.9 -4.3 41.0 67.2 69 104 A V E -B 46 0A 33 19,-0.4 19,-2.4 -23,-0.2 2,-0.3 -0.926 11.6-165.7-112.9 135.8 -4.4 37.5 68.6 70 105 A K E -BC 45 87A 29 -25,-3.1 -25,-2.4 -2,-0.4 2,-0.5 -0.965 16.2-143.7-123.5 144.9 -7.5 35.8 70.0 71 106 A Q E -BC 44 86A 62 15,-2.6 15,-2.0 -2,-0.3 2,-0.4 -0.933 26.3-160.1-102.1 120.3 -8.0 32.7 72.1 72 107 A X E +BC 43 85A 0 -29,-4.1 -29,-2.4 -2,-0.5 2,-0.3 -0.925 14.1 172.7-113.5 134.8 -11.3 31.0 71.0 73 108 A V E +BC 42 84A 61 11,-2.4 11,-2.3 -2,-0.4 2,-0.3 -0.981 30.4 72.7-142.3 148.5 -13.3 28.4 73.0 74 109 A G E S-BC 41 83A 32 -33,-1.4 -33,-1.2 -2,-0.3 2,-0.3 -0.933 72.6 -54.5 155.6-124.6 -16.7 26.5 72.7 75 110 A T E -B 40 0A 42 7,-2.0 7,-0.4 -2,-0.3 2,-0.3 -0.992 26.3-155.8-149.9 163.8 -17.7 23.6 70.3 76 111 A V E -B 39 0A 10 -37,-1.8 -37,-3.0 -2,-0.3 2,-0.5 -0.973 18.1-135.2-128.5 148.7 -18.0 22.1 66.8 77 112 A T - 0 0 75 -2,-0.3 -40,-0.1 -39,-0.2 -2,-0.0 -0.878 13.8-142.8 -94.2 134.4 -20.2 19.4 65.2 78 113 A L 0 0 61 -2,-0.5 -1,-0.1 -42,-0.2 -41,-0.1 0.809 360.0 360.0 -66.8 -28.0 -18.2 17.1 62.9 79 114 A D 0 0 174 -43,-0.2 -2,-0.1 -3,-0.0 -1,-0.1 -0.602 360.0 360.0 -69.3 360.0 -21.2 16.9 60.6 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 120 A L 0 0 71 0, 0.0 -5,-0.1 0, 0.0 -70,-0.0 0.000 360.0 360.0 360.0 151.1 -21.8 28.9 65.7 82 121 A D + 0 0 99 -7,-0.4 -7,-2.0 2,-0.0 2,-0.4 -0.336 360.0 112.5-154.2 64.1 -20.7 28.6 69.3 83 122 A I E -C 74 0A 11 -9,-0.2 2,-0.4 -72,-0.1 -9,-0.2 -0.978 41.3-161.8-126.4 140.6 -17.2 30.0 69.9 84 123 A T E -C 73 0A 87 -11,-2.3 -11,-2.4 -2,-0.4 2,-0.4 -0.998 9.1-163.5-119.3 135.9 -16.3 33.1 71.8 85 124 A X E -C 72 0A 30 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.2 -0.894 4.2-171.0-111.9 143.1 -12.9 34.6 71.2 86 125 A N E -C 71 0A 110 -15,-2.0 -15,-2.6 -2,-0.4 2,-0.1 -0.991 32.7 -98.6-132.9 143.7 -11.2 37.0 73.5 87 126 A E E -C 70 0A 84 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.3 -0.318 31.3-125.0 -63.1 135.8 -8.1 39.0 72.8 88 127 A V 0 0 72 -19,-2.4 -19,-0.4 1,-0.1 -1,-0.1 -0.687 360.0 360.0 -77.3 132.6 -4.7 37.8 74.2 89 128 A Q 0 0 200 -2,-0.3 -1,-0.1 0, 0.0 -20,-0.0 0.240 360.0 360.0 -93.0 360.0 -2.9 40.4 76.3