==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 16-MAR-13 2M5Z . COMPND 2 MOLECULE: ENTEROCIN JSA; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR C.T.LOHANS,K.M.TOWLE,M.MISKOLZIE,R.T.MCKAY,M.J.VAN BELKUM, . 44 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 56.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.3 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 2 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 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 X 0 0 283 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.0 2.1 0.1 -1.3 2 2 A G + 0 0 41 4,-0.0 0, 0.0 0, 0.0 0, 0.0 0.895 360.0 132.1 93.9 52.4 4.9 2.3 -2.4 3 3 A A S S+ 0 0 38 2,-0.1 4,-0.1 3,-0.1 3,-0.0 0.876 83.1 19.8 -96.4 -54.7 7.7 1.5 0.0 4 4 A I S >> S+ 0 0 17 1,-0.2 3,-2.4 2,-0.2 4,-1.0 0.820 115.2 68.3 -85.2 -34.8 10.8 1.0 -2.2 5 5 A A H 3> S+ 0 0 58 1,-0.3 4,-2.0 2,-0.2 5,-0.4 0.766 86.5 72.1 -55.4 -25.5 9.3 2.9 -5.2 6 6 A K H 34 S+ 0 0 97 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.780 101.9 42.4 -61.7 -26.5 9.6 6.0 -3.1 7 7 A L H <>>S+ 0 0 0 -3,-2.4 4,-2.6 3,-0.2 5,-1.1 0.711 111.9 55.8 -91.2 -24.6 13.4 5.8 -3.6 8 8 A V H <5S+ 0 0 25 -4,-1.0 -2,-0.2 3,-0.2 -3,-0.1 0.992 109.4 40.8 -70.4 -65.0 13.2 4.9 -7.3 9 9 A A T <5S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.769 124.5 44.5 -55.3 -25.7 11.1 7.8 -8.6 10 10 A K T 45S+ 0 0 120 -5,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.963 136.2 2.8 -82.4 -66.4 13.2 10.0 -6.3 11 11 A F T <5S- 0 0 55 -4,-2.6 2,-0.2 1,-0.2 -3,-0.2 0.944 111.3 -83.7 -85.2 -75.0 16.8 8.7 -6.8 12 12 A G >>< - 0 0 15 -5,-1.1 4,-1.5 1,-0.2 3,-0.7 -0.835 22.1-102.1 168.6 153.7 16.7 6.0 -9.5 13 13 A W H >> S+ 0 0 153 1,-0.3 4,-1.7 -2,-0.2 3,-0.9 0.962 124.6 40.0 -53.3 -58.1 16.1 2.3 -10.3 14 14 A P H 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.552 114.1 58.3 -69.7 -7.0 19.8 1.5 -10.5 15 15 A I H <4 S+ 0 0 69 -3,-0.7 4,-0.3 2,-0.1 -2,-0.2 0.671 108.9 41.6 -94.9 -21.9 20.3 3.8 -7.5 16 16 A V H << S+ 0 0 0 -4,-1.5 7,-0.2 -3,-0.9 3,-0.2 0.708 103.4 66.0 -95.5 -25.9 18.0 1.9 -5.2 17 17 A K S < S+ 0 0 139 -4,-1.7 3,-0.5 -5,-0.2 4,-0.2 0.764 100.7 52.7 -66.8 -25.0 19.1 -1.5 -6.2 18 18 A K S S+ 0 0 165 -4,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.796 117.3 36.1 -79.9 -30.4 22.5 -0.8 -4.8 19 19 A Y S >> S+ 0 0 42 -4,-0.3 4,-2.7 -3,-0.2 3,-1.0 0.014 84.4 108.1-110.2 25.4 21.1 0.2 -1.4 20 20 A Y T 34 S+ 0 0 69 -3,-0.5 4,-0.5 1,-0.2 5,-0.4 0.760 71.4 63.4 -72.5 -25.2 18.3 -2.3 -1.5 21 21 A K T 34 S+ 0 0 173 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.535 116.7 29.7 -76.0 -5.7 20.0 -4.3 1.3 22 22 A Q T <> S+ 0 0 76 -3,-1.0 4,-1.4 3,-0.1 -2,-0.2 0.728 118.6 48.2-115.9 -56.3 19.5 -1.3 3.5 23 23 A I H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-2.0 0.975 120.5 36.3 -51.2 -69.4 16.4 0.5 2.5 24 24 A M H 3> S+ 0 0 107 -4,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.754 115.4 59.9 -57.2 -23.9 14.1 -2.5 2.3 25 25 A Q H 34 S+ 0 0 127 -5,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.714 109.3 42.3 -77.1 -21.5 16.0 -3.8 5.3 26 26 A F H XX S+ 0 0 44 -3,-2.0 3,-3.0 -4,-1.4 4,-0.9 0.890 105.4 58.8 -89.6 -48.8 15.0 -0.7 7.3 27 27 A I H 3< S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.794 91.1 74.8 -51.5 -29.4 11.3 -0.5 6.3 28 28 A G T 3< S+ 0 0 69 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.1 0.728 104.2 37.6 -57.3 -21.3 11.0 -4.0 7.7 29 29 A E T <4 S- 0 0 166 -3,-3.0 -2,-0.2 -4,-0.1 -1,-0.1 0.896 128.0 -74.7 -93.1 -74.8 11.1 -2.4 11.1 30 30 A G < + 0 0 60 -4,-0.9 -3,-0.2 2,-0.1 -2,-0.1 0.185 65.0 159.6 173.9 44.4 9.3 0.9 11.1 31 31 A W - 0 0 91 -5,-0.5 2,-0.2 1,-0.1 -4,-0.0 -0.018 32.5-119.0 -69.5-180.0 11.2 3.7 9.3 32 32 A A > - 0 0 44 1,-0.0 4,-0.9 0, 0.0 3,-0.5 -0.496 19.4-109.3-113.6-175.8 9.7 6.9 7.9 33 33 A I T 4 S+ 0 0 92 1,-0.2 4,-0.4 -2,-0.2 -2,-0.0 0.670 116.9 52.8 -88.4 -19.8 9.3 8.5 4.5 34 34 A N T 4 S+ 0 0 105 3,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.077 105.9 58.0-101.8 22.0 11.8 11.3 5.4 35 35 A K T > S+ 0 0 121 -3,-0.5 4,-2.4 3,-0.1 5,-0.2 0.757 99.1 46.2-112.1 -64.4 14.5 8.8 6.5 36 36 A I H X S+ 0 0 7 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.836 115.2 53.5 -50.9 -35.3 15.4 6.4 3.7 37 37 A I H > S+ 0 0 32 -4,-0.4 4,-2.0 2,-0.2 5,-0.3 0.993 112.5 38.2 -64.3 -64.2 15.5 9.5 1.4 38 38 A D H > S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.736 116.2 59.3 -59.9 -22.0 17.9 11.6 3.4 39 39 A W H X S+ 0 0 44 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.970 107.1 40.9 -71.5 -56.4 19.7 8.3 4.2 40 40 A I H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.7 0.968 116.6 48.1 -56.2 -58.4 20.5 7.3 0.6 41 41 A K H 3< S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.9 54.2 -52.1 -35.0 21.5 10.8 -0.5 42 42 A K H 3< S+ 0 0 169 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.861 112.3 43.4 -68.6 -36.3 23.6 11.1 2.6 43 43 A H H << 0 0 107 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.1 0.985 360.0 360.0 -72.5 -62.5 25.5 7.9 1.6 44 44 A I < 0 0 112 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.1 0.386 360.0 360.0 -52.1 360.0 26.0 8.4 -2.1