==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 05-JUN-02 1LXE . 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 . 92 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 45.7 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 . 17 18.5 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 . 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 15.2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 98 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.9 16.9 31.4 3.4 2 32 A L H > + 0 0 101 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 360.0 48.0 -71.1 -49.0 16.9 29.9 6.9 3 33 A S H > S+ 0 0 85 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.761 106.6 59.8 -64.3 -26.2 13.3 28.7 6.7 4 34 A Y H >> S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 3,-1.1 0.991 111.1 38.6 -62.5 -59.3 14.0 27.2 3.3 5 35 A R H 3X S+ 0 0 127 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.868 114.3 56.3 -57.9 -38.1 16.7 24.9 4.8 6 36 A E H 3X S+ 0 0 116 -4,-2.7 4,-1.3 1,-0.2 -1,-0.3 0.745 105.1 52.4 -68.8 -20.7 14.5 24.4 7.8 7 37 A A H - 0 0 60 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.489 25.8-130.6 -67.0 129.0 -5.8 53.2 -37.8 63 93 A P G > S+ 0 0 103 0, 0.0 3,-2.2 0, 0.0 -8,-0.1 0.845 104.0 69.9 -53.7 -25.3 -6.4 55.1 -34.7 64 94 A E G 3 S+ 0 0 179 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.688 93.8 55.1 -69.0 -9.0 -2.8 56.3 -34.8 65 95 A L G < S+ 0 0 115 -3,-2.8 2,-0.5 2,-0.1 -1,-0.3 0.309 92.4 96.2 -99.1 8.3 -3.6 58.5 -37.8 66 96 A a S < S- 0 0 14 -3,-2.2 0, 0.0 -4,-0.2 0, 0.0 -0.873 74.7-126.5-106.9 125.1 -6.4 60.2 -35.9 67 97 A D - 0 0 122 -2,-0.5 -13,-2.1 1,-0.1 -12,-0.3 -0.231 28.8-106.6 -64.4 152.2 -5.9 63.5 -34.1 68 98 A F B -C 53 0B 135 -15,-0.3 -15,-0.3 -14,-0.1 2,-0.2 -0.550 36.9-112.4 -77.6 146.6 -6.8 63.8 -30.4 69 99 A K > - 0 0 80 -17,-2.7 3,-1.6 -2,-0.2 -17,-0.1 -0.553 28.1-113.4 -78.5 144.5 -10.0 65.8 -29.7 70 100 A E T 3 S+ 0 0 161 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.933 109.5 7.1 -38.8 -82.2 -9.4 69.1 -27.9 71 101 A N T 3 S+ 0 0 127 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.459 98.5 156.6-103.3 57.5 -11.1 68.3 -24.7 72 102 A G < - 0 0 10 -3,-1.6 2,-0.2 -2,-0.6 -18,-0.0 -0.437 49.0 -85.6 -81.5 159.0 -11.6 64.7 -25.5 73 103 A R - 0 0 133 -2,-0.1 -21,-1.8 -20,-0.1 2,-0.4 -0.401 35.1-150.4 -71.4 136.7 -12.1 62.0 -22.8 74 104 A V E -A 51 0A 57 -23,-0.2 18,-2.1 -2,-0.2 2,-0.3 -0.902 13.8-169.6-106.3 132.3 -9.0 60.3 -21.2 75 105 A K E -AB 50 91A 94 -25,-2.9 -25,-2.1 -2,-0.4 2,-0.5 -0.932 15.4-144.1-122.6 147.6 -9.3 56.7 -20.0 76 106 A Q E -AB 49 90A 65 14,-2.7 14,-2.7 -2,-0.3 2,-0.4 -0.947 21.2-163.5-111.2 125.2 -6.9 54.6 -17.9 77 107 A b E +AB 48 89A 2 -29,-3.2 -29,-1.9 -2,-0.5 2,-0.4 -0.931 12.3 175.0-116.7 135.6 -6.8 51.0 -18.8 78 108 A V E +AB 47 88A 70 10,-2.3 10,-2.1 -2,-0.4 2,-0.3 -0.986 30.0 90.6-135.5 144.5 -5.4 48.1 -16.8 79 109 A G E -AB 46 87A 23 -33,-1.5 -33,-2.2 -2,-0.4 2,-0.3 -0.953 62.7 -69.8 169.4-148.9 -5.5 44.4 -17.6 80 110 A T E -A 45 0A 55 6,-2.1 2,-0.4 -2,-0.3 -2,-0.0 -0.966 23.9-159.3-140.9 156.6 -3.5 41.7 -19.3 81 111 A V E -A 44 0A 61 -37,-2.5 -37,-2.8 -2,-0.3 2,-0.8 -0.991 17.8-135.8-134.0 140.7 -2.4 40.6 -22.8 82 112 A T - 0 0 82 -2,-0.4 -40,-0.1 -39,-0.2 -41,-0.0 -0.862 8.8-162.8-100.1 107.9 -1.2 37.2 -24.0 83 113 A L 0 0 134 -2,-0.8 -1,-0.2 -41,-0.3 -41,-0.1 0.819 360.0 360.0 -56.2 -32.6 1.8 37.6 -26.2 84 114 A D 0 0 155 -43,-0.3 -1,-0.3 -3,-0.1 -43,-0.0 -0.580 360.0 360.0 -98.2 360.0 1.3 34.1 -27.5 85 ! 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 86 121 A D 0 0 170 0, 0.0 -6,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 30.1 -9.3 41.2 -20.7 87 122 A I E -B 79 0A 59 -8,-0.2 2,-0.4 2,-0.0 -8,-0.2 -0.997 360.0-162.7-146.0 142.9 -8.9 44.8 -20.1 88 123 A T E -B 78 0A 89 -10,-2.1 -10,-2.3 -2,-0.3 2,-0.4 -0.991 6.9-160.3-129.6 139.5 -11.0 47.5 -18.4 89 124 A b E -B 77 0A 44 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.934 3.3-166.2-119.9 142.0 -10.7 51.2 -18.8 90 125 A N E -B 76 0A 108 -14,-2.7 -14,-2.7 -2,-0.4 2,-0.1 -0.989 32.1-101.6-131.2 138.4 -12.0 53.9 -16.5 91 126 A E E -B 75 0A 97 -2,-0.4 -16,-0.3 -16,-0.2 -18,-0.0 -0.344 39.7-132.6 -59.4 128.9 -12.3 57.6 -17.1 92 127 A V 0 0 66 -18,-2.1 -18,-0.1 -2,-0.1 -1,-0.1 -0.078 360.0 360.0 -74.1 178.2 -9.6 59.6 -15.4 93 128 A Q 0 0 207 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.907 360.0 360.0-130.6 360.0 -10.1 62.8 -13.3