==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 29-JAN-02 1KWI . COMPND 2 MOLECULE: PROTEGRIN-3 PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.F.SANCHEZ,F.HOH,M.P.STRUB,A.AUMELAS,C.DUMAS . 85 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 61.2 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 . 27 31.8 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 . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 17.6 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 0 1 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 0 2 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 0 105 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -63.0 16.3 30.9 3.1 2 32 A L H > + 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 360.0 48.5 -55.5 -45.3 16.3 29.6 6.7 3 33 A S H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 111.1 54.7 -63.8 -34.6 12.6 28.8 6.6 4 34 A Y H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.969 108.4 44.9 -62.0 -55.6 13.4 27.1 3.3 5 35 A R H X S+ 0 0 123 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.890 113.8 52.2 -55.7 -42.7 16.1 24.9 4.8 6 36 A E H X S+ 0 0 91 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.881 104.9 53.6 -65.2 -36.3 13.8 24.1 7.7 7 37 A A H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.849 108.3 51.8 -66.8 -32.5 11.0 23.1 5.5 8 38 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.952 109.9 47.2 -68.4 -45.7 13.3 20.6 3.8 9 39 A L H X S+ 0 0 69 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.925 112.0 52.3 -60.0 -39.6 14.4 19.1 7.1 10 40 A R H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 107.3 51.4 -63.0 -41.1 10.7 18.9 8.0 11 41 A A H X S+ 0 0 5 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.951 106.1 54.7 -60.8 -47.2 10.1 17.1 4.7 12 42 A V H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 107.6 51.1 -51.3 -46.9 12.8 14.6 5.5 13 43 A D H X S+ 0 0 72 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 111.4 47.6 -56.4 -44.7 11.0 14.0 8.8 14 44 A R H X S+ 0 0 103 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.906 108.4 53.1 -66.2 -43.0 7.7 13.4 6.9 15 45 A L H X S+ 0 0 16 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.949 112.0 46.8 -57.3 -42.5 9.3 11.1 4.4 16 46 A N H < S+ 0 0 8 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.905 111.0 52.1 -64.8 -38.4 10.6 9.1 7.4 17 47 A E H < S+ 0 0 162 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.932 116.1 39.0 -64.4 -42.3 7.2 9.2 9.0 18 48 A Q H < S+ 0 0 126 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.703 97.6 108.8 -80.1 -19.1 5.5 7.9 5.8 19 49 A S < - 0 0 24 -4,-2.0 -3,-0.1 -5,-0.3 5,-0.0 0.004 53.4-160.9 -56.2 162.3 8.3 5.4 5.1 20 50 A S + 0 0 112 3,-0.1 -1,-0.1 29,-0.0 -4,-0.1 0.241 56.3 116.0-124.0 2.9 8.1 1.6 5.4 21 51 A E S S- 0 0 49 2,-0.1 28,-0.1 1,-0.1 -2,-0.0 -0.242 74.3-118.5 -73.7 163.3 11.9 1.1 5.5 22 52 A A S S+ 0 0 71 26,-0.1 27,-3.6 27,-0.1 2,-0.3 0.838 90.2 44.3 -69.8 -35.0 13.8 -0.2 8.4 23 53 A N E S-A 48 0A 25 25,-0.3 -2,-0.1 26,-0.1 2,-0.1 -0.807 82.3-107.2-120.2 156.6 16.0 2.9 9.0 24 54 A L E - 0 0 10 23,-3.2 21,-2.2 -2,-0.3 2,-0.3 -0.448 32.5-138.7 -72.6 143.3 15.6 6.7 9.2 25 55 A Y E -A 44 0A 10 19,-0.2 2,-0.3 -13,-0.2 19,-0.2 -0.764 16.2-154.2-100.4 157.8 17.1 8.6 6.2 26 56 A R E -A 43 0A 64 17,-2.3 17,-2.8 -2,-0.3 -17,-0.0 -0.968 29.2 -89.5-133.5 146.9 19.0 11.8 6.8 27 57 A L E +A 42 0A 50 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.303 43.5 171.7 -56.4 127.6 19.6 14.9 4.6 28 58 A L E - 0 0 75 13,-3.1 2,-0.3 1,-0.3 14,-0.2 0.797 64.0 -2.4-106.0 -46.0 22.8 14.3 2.5 29 59 A E E -A 41 0A 113 12,-1.6 12,-2.6 2,-0.0 2,-0.7 -0.965 55.7-149.4-153.7 130.3 22.9 17.3 0.1 30 60 A L E A 40 0A 58 -2,-0.3 10,-0.2 10,-0.2 -25,-0.0 -0.902 360.0 360.0-103.4 111.8 20.5 20.2 -0.4 31 61 A D 0 0 89 8,-2.2 8,-0.3 -2,-0.7 9,-0.0 -0.074 360.0 360.0 -89.9 360.0 20.6 21.2 -4.1 32 ! 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 33 71 A G 0 0 87 0, 0.0 43,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -49.4 3.5 32.1 -0.1 34 72 A T - 0 0 96 1,-0.1 41,-0.2 40,-0.1 39,-0.1 -0.536 360.0 -91.7 -73.6 137.0 3.5 29.9 -3.2 35 73 A P - 0 0 64 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.165 43.3-133.6 -50.9 138.7 5.2 26.4 -2.7 36 74 A K E - B 0 73A 68 37,-2.8 37,-1.9 -3,-0.1 2,-0.0 -0.796 15.8-112.4-102.9 138.5 8.9 26.5 -3.5 37 75 A P E - B 0 72A 98 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.328 36.3-169.5 -63.4 144.8 10.7 23.8 -5.7 38 76 A V E + B 0 71A 9 33,-2.3 33,-1.5 2,-0.0 2,-0.3 -0.977 17.3 179.2-140.3 150.6 13.2 21.6 -3.8 39 77 A S E + B 0 70A 42 -2,-0.3 -8,-2.2 -8,-0.3 2,-0.3 -0.859 23.7 139.2-153.5 112.9 15.8 19.1 -4.8 40 78 A F E -AB 30 69A 0 29,-1.6 29,-3.2 -2,-0.3 2,-0.3 -0.988 40.4-123.5-152.7 160.2 17.9 17.2 -2.3 41 79 A T E -AB 29 68A 13 -12,-2.6 -13,-3.1 -2,-0.3 -12,-1.6 -0.818 19.6-162.8-109.0 146.0 19.4 13.8 -1.6 42 80 A V E -AB 27 67A 5 25,-2.2 25,-2.9 -2,-0.3 2,-0.4 -0.905 6.0-152.4-122.7 153.0 18.9 11.8 1.5 43 81 A K E -AB 26 66A 28 -17,-2.8 -17,-2.3 -2,-0.3 23,-0.2 -0.986 23.4-103.4-133.9 144.3 20.9 8.8 2.8 44 82 A E E -A 25 0A 29 21,-2.7 17,-3.1 -2,-0.4 -19,-0.2 -0.317 39.4-159.5 -60.0 137.9 20.1 5.8 4.9 45 83 A T E -D 60 0B 0 -21,-2.2 15,-0.3 15,-0.3 14,-0.1 -0.604 31.9-105.7-114.1 178.0 21.4 6.0 8.5 46 84 A V E S+ 0 0 84 13,-2.6 14,-0.1 -2,-0.2 -21,-0.1 0.489 88.7 102.2 -81.7 -1.9 22.1 3.4 11.3 47 85 A a E S- 0 0 19 12,-0.3 -23,-3.2 -23,-0.3 -2,-0.3 -0.745 74.3-126.9 -89.9 123.1 19.0 4.4 13.2 48 86 A P E -A 23 0A 66 0, 0.0 -25,-0.3 0, 0.0 -26,-0.1 -0.367 30.6-108.6 -66.2 139.7 15.9 2.1 12.9 49 87 A R S S+ 0 0 82 -27,-3.6 2,-2.0 1,-0.2 -26,-0.1 0.741 110.0 65.5 -40.3 -45.7 12.8 3.9 11.8 50 88 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.605 78.2 120.2 -83.4 83.0 10.9 3.8 15.1 51 89 A T - 0 0 47 -2,-2.0 2,-1.0 -4,-0.1 -4,-0.0 -0.952 59.8-146.8-147.6 123.6 13.4 6.1 16.8 52 90 A R + 0 0 268 -2,-0.3 -3,-0.1 2,-0.0 0, 0.0 -0.194 65.7 114.8 -85.3 46.6 12.6 9.4 18.4 53 91 A Q S S- 0 0 89 -2,-1.0 -2,-0.1 2,-0.0 5,-0.1 -0.968 76.9-111.7-118.0 126.7 16.1 10.7 17.5 54 92 A P > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.296 30.8-122.0 -52.5 139.7 16.4 13.5 15.0 55 93 A P G > S+ 0 0 17 0, 0.0 3,-1.9 0, 0.0 -8,-0.1 0.798 108.1 69.5 -58.3 -26.0 18.0 12.0 11.9 56 94 A E G 3 S+ 0 0 126 1,-0.3 -30,-0.1 -30,-0.0 -3,-0.0 0.597 93.8 55.3 -72.2 -5.1 20.8 14.4 12.1 57 95 A L G < S+ 0 0 109 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.425 93.8 90.2 -99.0 0.9 22.1 12.7 15.2 58 96 A a S < S- 0 0 1 -3,-1.9 3,-0.1 -4,-0.2 -1,-0.0 -0.859 78.7-129.2-102.0 119.6 22.1 9.4 13.3 59 97 A D - 0 0 111 -2,-0.6 -13,-2.6 1,-0.1 -12,-0.3 -0.317 32.5-102.8 -63.7 146.3 25.3 8.4 11.4 60 98 A F B -D 45 0B 62 -15,-0.3 2,-0.4 -14,-0.1 -15,-0.3 -0.334 33.1-115.5 -66.2 150.4 24.9 7.5 7.7 61 99 A K > - 0 0 93 -17,-3.1 3,-1.7 4,-0.1 2,-0.3 -0.746 32.9-118.9 -85.8 132.2 25.0 3.8 7.0 62 100 A E T 3 S+ 0 0 132 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.592 102.6 12.1 -75.2 136.5 28.1 3.2 4.9 63 101 A N T 3 S+ 0 0 156 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.801 101.4 153.9 67.4 23.8 27.0 1.7 1.6 64 102 A G < - 0 0 7 -3,-1.7 -1,-0.3 -20,-0.2 -18,-0.0 -0.594 54.4 -85.4 -83.2 151.8 23.6 2.8 2.8 65 103 A R - 0 0 106 -2,-0.2 -21,-2.7 -3,-0.1 2,-0.4 -0.255 40.9-153.5 -60.4 138.6 21.0 3.6 0.1 66 104 A V E -B 43 0A 43 -23,-0.2 20,-2.8 20,-0.2 2,-0.3 -0.951 11.9-167.8-114.2 134.7 21.0 7.1 -1.3 67 105 A K E -BC 42 85A 39 -25,-2.9 -25,-2.2 -2,-0.4 2,-0.5 -0.937 18.5-139.3-126.5 151.4 17.9 8.8 -2.7 68 106 A Q E -BC 41 84A 62 16,-2.5 16,-2.4 -2,-0.3 2,-0.4 -0.923 23.8-166.0-105.5 123.4 17.1 11.9 -4.8 69 107 A b E +BC 40 83A 0 -29,-3.2 -29,-1.6 -2,-0.5 2,-0.3 -0.862 10.0 173.6-110.9 145.8 14.0 13.7 -3.6 70 108 A V E +BC 39 82A 62 12,-2.0 12,-2.0 -2,-0.4 2,-0.3 -0.979 27.6 77.5-147.5 158.4 12.1 16.3 -5.6 71 109 A G E -BC 38 81A 28 -33,-1.5 -33,-2.3 -2,-0.3 2,-0.3 -0.998 69.1 -56.3 147.4-137.2 9.0 18.3 -5.3 72 110 A T E -BC 37 80A 46 8,-2.6 8,-0.7 -2,-0.3 2,-0.3 -0.932 27.8-156.7-143.3 165.6 7.9 21.3 -3.3 73 111 A V E -B 36 0A 13 -37,-1.9 -37,-2.8 -2,-0.3 2,-0.5 -0.989 17.3-133.0-141.5 149.4 7.6 22.8 0.2 74 112 A T - 0 0 51 -2,-0.3 -40,-0.1 2,-0.2 -2,-0.0 -0.909 17.6-134.8-104.7 126.9 5.4 25.5 1.8 75 113 A L 0 0 53 -2,-0.5 -1,-0.1 -41,-0.2 -41,-0.1 0.453 360.0 360.0 -58.7 -0.0 7.3 28.0 4.0 76 114 A D 0 0 147 -43,-0.1 -2,-0.2 -69,-0.0 0, 0.0 -0.674 360.0 360.0-133.1 360.0 4.4 27.6 6.5 77 ! 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 78 119 A P 0 0 123 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 153.3 0.8 18.2 2.6 79 120 A L + 0 0 45 1,-0.1 -6,-0.1 -6,-0.1 2,-0.1 -0.526 360.0 177.7 -70.9 131.7 4.0 16.4 1.6 80 121 A D E +C 72 0A 80 -8,-0.7 -8,-2.6 -2,-0.3 2,-0.3 -0.484 41.0 100.8-136.9 66.1 4.8 16.9 -2.1 81 122 A I E -C 71 0A 10 -10,-0.2 2,-0.4 -2,-0.1 -10,-0.2 -0.991 44.4-166.8-147.6 141.1 8.1 15.1 -2.6 82 123 A T E -C 70 0A 89 -12,-2.0 -12,-2.0 -2,-0.3 2,-0.4 -0.992 10.3-155.9-131.4 138.9 8.9 11.8 -4.0 83 124 A b E -C 69 0A 30 -2,-0.4 2,-0.4 -14,-0.3 -14,-0.3 -0.949 5.8-167.8-117.8 137.4 12.3 10.2 -3.6 84 125 A N E -C 68 0A 108 -16,-2.4 -16,-2.5 -2,-0.4 3,-0.1 -0.989 33.3-102.8-125.8 133.6 13.8 7.6 -6.0 85 126 A E E -C 67 0A 85 -2,-0.4 2,-0.6 -18,-0.2 -18,-0.3 -0.194 46.3-101.0 -50.5 142.8 16.9 5.6 -5.2 86 127 A V 0 0 79 -20,-2.8 -20,-0.2 1,-0.0 -1,-0.1 -0.622 360.0 360.0 -76.1 119.3 19.9 6.9 -7.1 87 128 A Q 0 0 211 -2,-0.6 -3,-0.0 -3,-0.1 -1,-0.0 -0.801 360.0 360.0-100.2 360.0 20.6 4.7 -10.2