==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 04-JAN-10 2KSG . COMPND 2 MOLECULE: DERMCIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.JUNG,S.YANG,J.KIM . 48 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 60.4 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 35.4 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 1 0 1 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 . 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 1 A S 0 0 147 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.2 11.6 12.0 -6.1 2 2 A S + 0 0 76 1,-0.1 6,-0.1 6,-0.0 5,-0.1 -0.840 360.0 154.8-130.0 94.1 12.9 8.4 -6.3 3 3 A L + 0 0 134 -2,-0.4 2,-0.2 3,-0.0 -1,-0.1 0.899 66.1 4.3 -86.6 -46.3 14.8 7.7 -9.5 4 4 A L S > S- 0 0 126 4,-0.0 3,-2.1 1,-0.0 4,-0.3 -0.583 94.2 -73.5-127.8-171.3 17.0 4.8 -8.5 5 5 A E G > S+ 0 0 139 1,-0.3 3,-1.2 -2,-0.2 6,-0.1 0.891 133.0 48.5 -52.6 -43.7 17.7 2.4 -5.6 6 6 A K G 3 S+ 0 0 168 1,-0.3 -1,-0.3 5,-0.0 6,-0.0 0.280 94.0 78.9 -84.9 11.9 19.4 5.3 -3.7 7 7 A G G < S+ 0 0 26 -3,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.521 75.2 92.0 -92.7 -8.3 16.4 7.5 -4.5 8 8 A L < - 0 0 88 -3,-1.2 3,-0.4 -4,-0.3 4,-0.1 -0.634 69.3-146.5 -87.5 147.0 14.4 5.9 -1.7 9 9 A D S > S+ 0 0 64 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.842 96.9 57.7 -83.8 -34.3 14.5 7.4 1.7 10 10 A G G >> S+ 0 0 44 1,-0.3 4,-3.1 2,-0.2 3,-1.6 0.524 82.6 89.4 -73.8 -3.3 14.2 4.2 3.7 11 11 A A G 34 S+ 0 0 32 -3,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.770 83.8 54.1 -65.0 -25.1 17.4 3.0 1.9 12 12 A K G <4 S+ 0 0 52 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.487 118.9 34.7 -85.4 -2.2 19.4 4.6 4.7 13 13 A K T <4 S+ 0 0 125 -3,-1.6 -2,-0.2 -4,-0.1 -1,-0.1 0.752 119.4 38.6-118.0 -45.8 17.5 2.6 7.3 14 14 A A S >< S+ 0 0 79 -4,-3.1 3,-0.6 1,-0.2 -3,-0.2 0.961 118.1 37.7 -81.1 -54.1 16.6 -0.8 5.9 15 15 A V T 3 S+ 0 0 131 -5,-0.4 -1,-0.2 -4,-0.3 3,-0.1 0.483 116.3 54.1 -84.9 -1.0 19.5 -2.1 3.9 16 16 A G T 3 + 0 0 17 1,-0.1 4,-0.4 -5,-0.1 -1,-0.3 -0.321 60.5 136.8-128.7 53.1 22.1 -0.7 6.2 17 17 A G S X S+ 0 0 39 -3,-0.6 3,-0.9 1,-0.2 -1,-0.1 0.918 75.6 46.6 -65.7 -46.3 21.2 -2.1 9.6 18 18 A L T 3 S+ 0 0 171 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.778 118.1 43.9 -69.7 -26.6 24.7 -3.0 10.8 19 19 A G T 3> S+ 0 0 51 1,-0.2 2,-1.8 3,-0.0 4,-0.6 0.433 86.0 101.4 -94.6 0.4 26.0 0.4 9.6 20 20 A K T <4 + 0 0 68 -3,-0.9 -1,-0.2 -4,-0.4 2,-0.1 -0.365 51.9 98.2 -86.7 56.8 23.0 2.2 11.1 21 21 A L T 4 S- 0 0 145 -2,-1.8 -1,-0.1 -3,-0.0 -4,-0.0 -0.590 102.7 -3.5-138.8 74.9 24.8 3.4 14.2 22 22 A G T 4 S+ 0 0 64 -2,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.026 117.7 77.4 131.7 -30.9 25.9 7.0 13.6 23 23 A K S >< S+ 0 0 104 -4,-0.6 2,-0.8 2,-0.1 3,-0.6 0.720 71.5 98.8 -79.2 -21.3 24.7 7.4 10.0 24 24 A D T 3 + 0 0 76 1,-0.2 -2,-0.0 -5,-0.1 -11,-0.0 -0.562 47.4 97.9 -71.0 106.6 21.2 7.8 11.4 25 25 A A T 3> S+ 0 0 55 -2,-0.8 4,-1.4 3,-0.0 -1,-0.2 0.292 74.6 50.7-155.8 -50.5 20.6 11.6 11.5 26 26 A V H <> S+ 0 0 76 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.880 107.3 59.5 -67.0 -36.4 18.7 12.7 8.4 27 27 A E H > S+ 0 0 35 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 102.2 54.0 -57.9 -42.1 16.2 10.1 9.2 28 28 A D H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.943 116.3 34.2 -60.2 -52.3 15.5 11.6 12.6 29 29 A L H X S+ 0 0 99 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.774 118.9 51.0 -81.3 -26.5 14.7 15.1 11.4 30 30 A E H X S+ 0 0 81 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.799 102.0 61.6 -79.6 -28.4 13.0 14.1 8.1 31 31 A S H < S+ 0 0 25 -4,-2.0 8,-0.2 -5,-0.3 -2,-0.2 0.890 102.7 52.1 -63.1 -38.0 10.8 11.7 9.9 32 32 A V H >X S+ 0 0 93 -4,-1.0 3,-1.5 1,-0.2 4,-1.0 0.947 111.8 44.4 -62.5 -49.3 9.3 14.6 11.9 33 33 A G H 3< S+ 0 0 71 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.3 52.8 -65.5 -33.0 8.6 16.6 8.7 34 34 A K T 3< S- 0 0 123 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.225 139.1 -75.3 -87.0 14.1 7.2 13.5 7.0 35 35 A G T X> - 0 0 30 -3,-1.5 4,-1.2 -5,-0.1 3,-1.0 0.909 40.5-157.6 91.5 81.3 4.9 13.0 10.0 36 36 A A H 3X S+ 0 0 41 -4,-1.0 4,-2.0 1,-0.3 5,-0.3 0.745 92.0 70.2 -58.7 -24.2 6.6 11.6 13.1 37 37 A V H 3> S+ 0 0 117 -5,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.937 99.4 45.4 -56.9 -48.2 3.1 10.4 14.1 38 38 A H H <> S+ 0 0 122 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.859 108.6 58.1 -66.1 -36.4 3.1 7.8 11.4 39 39 A D H X S+ 0 0 86 -4,-1.2 4,-1.8 -8,-0.2 -2,-0.2 0.973 115.1 33.0 -60.1 -56.9 6.7 6.7 12.2 40 40 A V H X S+ 0 0 80 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.890 119.7 54.0 -67.5 -38.0 6.0 5.8 15.8 41 41 A K H X S+ 0 0 135 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.923 109.9 45.7 -62.2 -45.9 2.4 4.6 15.0 42 42 A D H X S+ 0 0 76 -4,-3.0 4,-3.7 1,-0.2 3,-0.4 0.866 111.4 51.8 -69.8 -37.1 3.5 2.2 12.3 43 43 A V H < S+ 0 0 84 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.877 107.7 52.6 -66.7 -36.5 6.3 0.7 14.4 44 44 A L H < S+ 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.672 117.6 39.4 -73.2 -16.4 3.9 0.1 17.2 45 45 A D H < S+ 0 0 126 -4,-0.7 2,-1.4 -3,-0.4 -2,-0.2 0.862 117.0 46.6 -94.3 -52.7 1.7 -1.7 14.8 46 46 A S S < S- 0 0 63 -4,-3.7 2,-0.3 -5,-0.1 -1,-0.2 -0.639 82.3-178.5 -92.4 77.6 4.3 -3.5 12.7 47 47 A V 0 0 107 -2,-1.4 -3,-0.1 -3,-0.2 -4,-0.0 -0.623 360.0 360.0 -82.3 134.1 6.4 -4.9 15.5 48 48 A L 0 0 215 -2,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 -0.755 360.0 360.0 -94.1 360.0 9.4 -6.9 14.7