==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 30-AUG-08 2ZRR . COMPND 2 MOLECULE: MUNDTICIN KS IMMUNITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS MUNDTII; . AUTHOR H.J.JEON,M.NODA,Y.MATOBA,T.KUMAGAI,M.SUGIYAMA . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 74.7 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 . 0 0.0 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 . 3 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 0 0 0 1 0 0 0 0 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A G 0 0 131 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.3 13.5 79.2 -9.6 2 11 A D + 0 0 98 1,-0.1 4,-0.1 2,-0.0 3,-0.1 -0.835 360.0 141.2 -99.8 110.9 10.5 76.9 -9.0 3 12 A D > + 0 0 65 -2,-0.7 4,-3.4 2,-0.1 5,-0.2 -0.204 25.0 129.0-136.1 38.2 9.5 74.8 -12.0 4 13 A R H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.844 77.0 50.6 -61.5 -36.1 8.8 71.6 -10.1 5 14 A R H > S+ 0 0 79 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.952 113.3 42.9 -68.1 -51.8 5.4 71.5 -11.8 6 15 A K H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.942 117.4 48.4 -58.8 -45.6 6.9 72.0 -15.3 7 16 A K H X S+ 0 0 97 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.937 111.9 48.2 -59.5 -50.1 9.6 69.5 -14.4 8 17 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.915 113.3 47.6 -58.3 -44.4 7.1 66.9 -13.0 9 18 A E H X S+ 0 0 35 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.910 109.4 54.0 -63.8 -42.2 4.9 67.2 -16.1 10 19 A V H X S+ 0 0 66 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.942 108.3 49.0 -57.6 -49.8 8.0 66.9 -18.5 11 20 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.897 112.7 47.7 -58.7 -41.8 9.1 63.6 -16.9 12 21 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.934 111.0 50.6 -66.8 -43.9 5.5 62.2 -17.1 13 22 A T H X S+ 0 0 64 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.957 113.4 46.1 -57.1 -50.4 5.2 63.3 -20.7 14 23 A E H X S+ 0 0 91 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.921 113.3 49.7 -56.9 -48.6 8.5 61.6 -21.5 15 24 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.899 111.5 47.3 -58.7 -45.7 7.6 58.5 -19.6 16 25 A L H X S+ 0 0 27 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.904 109.8 53.3 -63.9 -42.6 4.2 58.1 -21.3 17 26 A D H < S+ 0 0 141 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.818 115.9 41.7 -61.1 -30.2 5.8 58.6 -24.7 18 27 A D H < S+ 0 0 95 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.819 99.7 69.6 -88.2 -34.7 8.2 55.8 -23.8 19 28 A L H < S- 0 0 6 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.1 0.765 89.9-141.7 -57.5 -32.0 5.9 53.3 -22.2 20 29 A E < - 0 0 128 -4,-0.9 2,-0.7 1,-0.1 5,-0.2 0.588 24.9 -85.9 72.3 131.1 4.0 52.3 -25.4 21 30 A I S S+ 0 0 139 -4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.588 72.7 139.4 -72.4 109.9 0.3 51.6 -25.4 22 31 A D - 0 0 54 -2,-0.7 4,-0.4 1,-0.1 3,-0.3 -0.984 66.2-111.4-151.6 156.3 0.0 48.0 -24.5 23 32 A L S S+ 0 0 156 -2,-0.3 3,-0.4 1,-0.2 4,-0.3 0.765 112.9 62.9 -60.4 -24.5 -2.2 45.7 -22.4 24 33 A G S S+ 0 0 26 1,-0.2 3,-0.2 2,-0.1 40,-0.2 0.930 114.3 23.9 -68.4 -49.7 0.8 45.2 -20.0 25 34 A N S > S+ 0 0 20 -3,-0.3 4,-2.3 -5,-0.2 5,-0.2 0.006 83.3 113.9-109.0 29.9 1.3 48.8 -18.8 26 35 A E H > S+ 0 0 58 -3,-0.4 4,-2.4 -4,-0.4 -1,-0.2 0.914 78.2 53.1 -65.5 -40.9 -2.2 50.3 -19.3 27 36 A S H > S+ 0 0 21 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.897 111.6 45.7 -60.4 -41.5 -2.7 50.8 -15.6 28 37 A L H > S+ 0 0 0 32,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 112.7 48.6 -68.1 -45.9 0.6 52.6 -15.2 29 38 A R H X S+ 0 0 43 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.862 109.8 56.2 -61.6 -34.6 -0.0 54.9 -18.2 30 39 A K H X S+ 0 0 135 -4,-2.4 4,-3.4 -5,-0.2 -2,-0.2 0.970 110.5 41.3 -60.5 -56.2 -3.4 55.5 -16.7 31 40 A V H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.936 117.7 48.4 -56.5 -50.3 -2.0 56.8 -13.4 32 41 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.926 114.7 45.4 -56.5 -47.9 0.7 58.7 -15.2 33 42 A G H X S+ 0 0 28 -4,-3.2 4,-1.6 -5,-0.2 -2,-0.2 0.898 112.4 52.1 -64.2 -40.8 -1.9 60.2 -17.6 34 43 A S H X S+ 0 0 30 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.918 111.4 45.2 -62.9 -44.9 -4.2 61.0 -14.8 35 44 A Y H X S+ 0 0 9 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.789 104.2 63.1 -73.1 -24.3 -1.6 62.8 -12.7 36 45 A L H X S+ 0 0 27 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.941 108.5 42.1 -64.2 -44.0 -0.4 64.8 -15.7 37 46 A K H X S+ 0 0 96 -4,-1.6 4,-2.9 1,-0.2 5,-0.4 0.896 111.7 54.7 -69.8 -36.8 -3.8 66.4 -16.0 38 47 A K H X S+ 0 0 42 -4,-1.8 4,-2.0 1,-0.2 6,-0.2 0.893 106.9 53.2 -60.6 -38.3 -4.0 66.8 -12.2 39 48 A L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.5 38.4 -63.3 -42.2 -0.7 68.7 -12.4 40 49 A K H < S+ 0 0 112 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.843 129.3 27.7 -79.9 -33.3 -1.9 71.1 -15.0 41 50 A N H < S+ 0 0 130 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.814 96.6 87.3-100.8 -34.8 -5.5 71.6 -13.8 42 51 A E < - 0 0 74 -4,-2.0 7,-0.1 -5,-0.4 0, 0.0 -0.418 67.0-139.2 -71.6 140.8 -5.7 71.1 -10.0 43 52 A G + 0 0 91 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.1 0.394 68.8 115.9 -79.9 7.4 -5.0 74.1 -7.7 44 53 A T S S- 0 0 35 -6,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.207 71.9 -99.9 -73.2 165.1 -3.0 71.7 -5.5 45 54 A S > - 0 0 59 1,-0.1 4,-2.0 -40,-0.0 5,-0.2 -0.456 29.0-115.0 -81.9 157.0 0.7 71.9 -4.7 46 55 A V H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.934 113.8 52.2 -59.9 -47.9 3.2 69.6 -6.4 47 56 A P H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 110.2 49.0 -57.9 -37.6 4.2 67.7 -3.2 48 57 A L H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.943 114.5 43.5 -65.8 -48.7 0.5 66.9 -2.4 49 58 A V H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.905 117.4 45.6 -63.1 -45.8 -0.3 65.6 -5.9 50 59 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.794 107.7 56.2 -70.4 -32.2 2.9 63.6 -6.2 51 60 A S H X S+ 0 0 59 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.893 111.6 44.9 -66.1 -37.6 2.7 62.1 -2.7 52 61 A R H X S+ 0 0 142 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.833 115.2 48.2 -72.5 -33.7 -0.8 60.8 -3.7 53 62 A M H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.891 101.5 62.9 -73.1 -41.8 0.5 59.6 -7.1 54 63 A N H < S+ 0 0 73 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.892 106.1 47.0 -49.8 -43.0 3.5 57.9 -5.5 55 64 A I H >X S+ 0 0 104 -4,-1.1 3,-1.4 1,-0.2 4,-1.1 0.952 111.0 51.5 -65.0 -49.2 1.1 55.6 -3.8 56 65 A E H 3X S+ 0 0 68 -4,-1.6 4,-0.7 1,-0.3 -2,-0.2 0.894 103.1 56.3 -54.6 -48.4 -0.9 55.0 -6.9 57 66 A I H 3X S+ 0 0 12 -4,-2.9 4,-1.5 1,-0.2 -1,-0.3 0.657 102.0 64.3 -61.3 -13.8 2.1 54.0 -9.1 58 67 A S H <> S+ 0 0 50 -3,-1.4 4,-1.4 -4,-0.5 -2,-0.2 0.992 104.1 37.6 -72.8 -64.7 2.7 51.4 -6.4 59 68 A N H < S+ 0 0 117 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.463 121.0 50.1 -68.6 -1.4 -0.3 49.1 -6.7 60 69 A A H >X S+ 0 0 8 -4,-0.7 4,-0.7 2,-0.1 3,-0.6 0.756 102.9 56.3-102.5 -39.0 -0.2 49.6 -10.5 61 70 A I H 3<>S+ 0 0 40 -4,-1.5 5,-0.9 1,-0.2 -2,-0.2 0.835 118.1 35.7 -62.9 -33.3 3.4 48.8 -11.1 62 71 A K T 3<5S+ 0 0 156 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.1 0.367 98.5 87.7-101.5 2.5 2.9 45.4 -9.4 63 72 A K T <45S+ 0 0 140 -3,-0.6 -2,-0.1 1,-0.2 -3,-0.1 0.982 114.9 5.8 -61.2 -81.9 -0.7 44.9 -10.8 64 73 A D T <5S- 0 0 109 -4,-0.7 -1,-0.2 -40,-0.2 -2,-0.1 0.429 115.7-106.9 -81.0 1.8 0.1 43.3 -14.1 65 74 A G T 5 - 0 0 43 -5,-0.3 -3,-0.2 1,-0.1 -4,-0.1 0.934 38.9-146.9 72.4 47.6 3.7 43.3 -12.8 66 75 A V < - 0 0 21 -5,-0.9 2,-1.0 -6,-0.5 -1,-0.1 -0.222 3.7-145.3 -48.6 123.7 4.9 46.0 -15.1 67 76 A S - 0 0 121 -3,-0.1 2,-0.3 -5,-0.0 -1,-0.1 -0.793 18.8-167.0 -99.5 93.7 8.5 45.2 -15.9 68 77 A L - 0 0 33 -2,-1.0 2,-0.1 -7,-0.1 -49,-0.0 -0.623 16.5-127.5 -82.8 136.7 10.2 48.6 -16.2 69 78 A N >> - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 3,-1.2 -0.370 35.1 -95.7 -76.7 161.8 13.6 48.8 -17.7 70 79 A E H 3> S+ 0 0 140 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.880 124.6 53.0 -42.6 -51.6 16.4 50.6 -15.8 71 80 A N H 3> S+ 0 0 108 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.803 110.6 46.5 -57.7 -34.4 15.8 53.9 -17.7 72 81 A Q H <> S+ 0 0 24 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.7 48.9 -78.6 -42.2 12.1 54.0 -16.9 73 82 A S H X S+ 0 0 32 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.844 111.6 52.1 -65.1 -32.4 12.3 53.2 -13.2 74 83 A K H X S+ 0 0 104 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.847 107.8 51.2 -71.1 -33.9 15.0 55.9 -12.9 75 84 A K H X S+ 0 0 55 -4,-1.0 4,-0.9 -5,-0.2 -2,-0.2 0.895 112.8 46.7 -68.1 -39.5 12.7 58.3 -14.6 76 85 A L H >X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 3,-0.7 0.949 112.9 47.1 -65.5 -51.3 10.0 57.3 -12.1 77 86 A K H 3X S+ 0 0 141 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.861 109.9 54.7 -58.3 -37.4 12.3 57.6 -9.1 78 87 A E H 3< S+ 0 0 83 -4,-2.0 4,-0.3 2,-0.2 -1,-0.3 0.785 107.1 52.6 -67.1 -26.8 13.5 61.0 -10.5 79 88 A L H XX S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.7 4,-0.6 0.963 110.4 44.2 -73.1 -52.3 9.8 61.9 -10.5 80 89 A M H >< S+ 0 0 36 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.856 104.0 67.2 -59.4 -35.9 9.2 61.0 -6.9 81 90 A S T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.667 86.8 67.8 -59.6 -18.5 12.5 62.8 -6.0 82 91 A I T <4 0 0 30 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.897 360.0 360.0 -68.4 -37.1 10.8 66.1 -7.0 83 92 A S << 0 0 52 -3,-1.3 -1,-0.1 -4,-0.6 -3,-0.1 -0.473 360.0 360.0 157.1 360.0 8.6 65.6 -3.9