REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 23-DEC-06 2ODM COMPND UPF0358 PROTEIN MW0995; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: YLAN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 196620; SOURCE 4 STRAIN: MW2; SOURCE 5 GENE: YLAN; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PETBLUE1 AUTHOR L.XU,S.E.SEDELNIKOVA,P.J.BAKER,J.ERRINGTON,A.HUNT,D.W.RICE HET MSE A 7 8 HET MSE A 49 8 HET MSE A 74 8 HET MSE B 7 8 HET MSE B 49 8 HET MSE B 74 8 >ALA~A 5 12.49 -2.04 44.21 12.30 -3.09 43.12 12.39 -2.57 43.66 2 0 1000.00 -999 ? >THR~A 6 9.94 -1.38 46.98 9.25 -2.71 48.54 9.59 -2.04 47.76 2 0 1000.00 -999 ? >MET?A 7 11.88 1.84 47.62 12.82 3.72 50.13 12.35 2.78 48.87 2 0 1000.00 -999 ? >LYS~A 8 11.49 2.77 43.94 13.86 1.33 38.78 12.67 2.05 41.36 2 0 1000.00 -999 ? >ASN~A 9 6.73 1.72 44.31 4.66 2.22 44.10 5.70 1.97 44.20 2 0 1000.00 -999 ? >ALA~A 10 7.60 4.89 47.40 8.15 4.41 48.73 7.88 4.65 48.06 2 0 1000.00 -999 ? >ALA~A 11 10.13 7.39 45.97 11.56 7.05 45.55 10.84 7.22 45.76 2 0 1000.00 -999 ? >LEU~A 12 7.82 6.68 41.77 7.34 6.89 39.63 7.58 6.79 40.70 3 0 1000.00 -999 ? >LYS~A 13 5.09 8.38 44.86 3.31 4.79 42.05 4.20 6.59 43.46 2 0 1000.00 -999 ? >GLN~A 14 7.90 12.06 49.10 6.11 12.53 50.16 7.01 12.29 49.63 2 0 1000.00 -999 ? >LEU~A 15 9.10 12.23 43.17 11.22 12.69 42.96 10.16 12.46 43.06 3 0 1000.00 -999 ? >THR~A 16 4.82 13.06 42.19 4.39 11.02 41.59 4.61 12.04 41.89 2 0 1000.00 -999 ? >LYS~A 17 2.99 14.23 45.33 0.95 14.99 50.34 1.97 14.61 47.84 2 0 1000.00 -999 ? >ASP~A 18 7.07 16.79 46.03 7.30 15.97 47.98 7.18 16.38 47.00 2 0 1000.00 -999 ? >ALA~A 19 5.25 17.98 41.97 5.61 17.10 40.76 5.43 17.54 41.37 2 0 1000.00 -999 ? >ASP~A 20 0.61 16.87 43.00 0.17 15.39 41.54 0.39 16.13 42.27 2 0 1000.00 -999 ? >GLU~A 21 1.71 19.84 47.59 2.88 19.54 49.34 2.30 19.69 48.47 2 0 1000.00 -999 ? >ILE~A 22 5.22 22.70 42.40 6.42 22.70 42.50 5.82 22.70 42.45 3 0 1000.00 -999 ? >LEU~A 23 1.07 20.75 39.43 0.29 20.26 37.46 0.68 20.50 38.45 3 0 1000.00 -999 ? >HIS~A 24 -3.06 23.22 44.06 -4.93 23.76 44.84 -3.99 23.49 44.45 3 0 1000.00 -999 ? >LEU~A 25 1.64 26.80 43.26 2.30 28.61 44.31 1.97 27.70 43.78 3 0 1000.00 -999 ? >ILE~A 26 1.60 26.06 37.85 2.66 25.69 37.06 2.13 25.87 37.46 3 0 1000.00 -999 ? >LYS~A 27 -2.82 25.87 37.91 -3.88 19.81 36.40 -3.35 22.84 37.15 2 0 1000.00 -999 ? >VAL~A 28 -4.37 28.28 40.44 -4.91 28.07 42.57 -4.64 28.18 41.51 3 0 1000.00 -999 ? >GLN~A 29 -0.14 31.49 39.98 -0.25 33.53 40.58 -0.19 32.51 40.28 2 0 1000.00 -999 ? >LEU~A 30 -3.32 28.80 34.61 -1.70 28.52 33.20 -2.51 28.66 33.90 3 0 1000.00 -999 ? >ASP~A 31 -7.86 28.40 37.30 -7.34 26.44 36.64 -7.60 27.42 36.97 2 0 1000.00 -999 ? >ASN.A 32 -7.27 33.26 39.02 -8.43 31.89 40.17 -7.85 32.58 39.59 2 0 1000.00 -999 ? >LEU.A 33 -7.08 37.37 36.08 -6.74 39.49 35.69 -6.91 38.43 35.89 3 0 1000.00 -999 ? >CYH.A 38 1.83 38.98 39.42 0.03 39.73 37.39 0.93 39.36 38.41 2 0 1000.00 -999 ? >PRO.A 39 3.96 41.83 42.42 3.57 40.41 40.70 3.77 41.12 41.56 3 0 1000.00 -999 ? >LEU~A 40 8.51 39.18 40.60 8.75 41.07 39.44 8.63 40.13 40.03 3 0 1000.00 -999 ? >TYR~A 41 3.18 34.43 42.28 1.90 33.13 44.40 2.54 33.78 43.34 3 0 1000.00 -999 ? >GLU~A 42 9.07 33.78 36.55 10.07 34.95 35.08 9.57 34.37 35.82 2 0 1000.00 -999 ? >GLU~A 43 11.95 35.21 43.32 12.02 36.72 44.82 11.99 35.97 44.07 2 0 1000.00 -999 ? >VAL~A 44 8.53 32.01 43.81 6.86 32.45 45.18 7.69 32.23 44.50 3 0 1000.00 -999 ? >LEU~A 45 6.93 29.40 40.06 4.76 29.17 40.09 5.85 29.29 40.07 3 0 1000.00 -999 ? >ASP~A 46 12.29 30.41 39.63 11.81 30.99 37.64 12.05 30.70 38.64 2 0 1000.00 -999 ? >THR~A 47 12.58 28.41 43.68 13.06 29.69 45.36 12.82 29.05 44.52 2 0 1000.00 -999 ? >GLN~A 48 7.83 26.98 44.71 7.29 26.18 46.59 7.56 26.58 45.65 2 0 1000.00 -999 ? >MET?A 49 11.00 24.19 40.60 8.57 23.57 38.43 9.78 23.88 39.52 2 0 1000.00 -999 ? >PHE~A 50 16.85 25.26 42.57 19.56 24.79 43.15 18.20 25.03 42.86 3 0 1000.00 -999 ? >GLY~A 51 13.66 22.42 45.04 13.53 22.19 44.27 13.60 22.30 44.66 1 0 1000.00 -999 ? >LEU~A 52 10.52 19.79 42.45 9.12 18.24 41.87 9.82 19.01 42.16 3 0 1000.00 -999 ? >GLN~A 53 16.40 20.02 38.79 15.74 18.77 37.19 16.07 19.40 37.99 2 0 1000.00 -999 ? >LYS~A 54 17.04 18.69 43.49 19.91 21.61 41.56 18.48 20.15 42.53 2 0 1000.00 -999 ? >GLU~A 55 12.90 16.89 46.56 10.81 17.02 46.88 11.86 16.96 46.72 2 0 1000.00 -999 ? >VAL~A 56 14.51 14.49 41.40 13.37 14.91 39.56 13.94 14.70 40.48 3 0 1000.00 -999 ? >ASP~A 57 19.21 15.77 40.81 18.84 17.03 39.15 19.03 16.40 39.98 2 0 1000.00 -999 ? >PHE~A 58 18.49 12.98 46.90 18.92 11.56 49.28 18.70 12.27 48.09 3 0 1000.00 -999 ? >ALA~A 59 16.41 10.21 43.57 14.90 10.35 43.44 15.66 10.28 43.51 2 0 1000.00 -999 ? >VAL~A 60 17.87 9.65 40.09 17.59 10.50 38.08 17.73 10.08 39.09 3 0 1000.00 -999 ? >LYS~A 61 21.44 9.47 41.51 23.50 15.01 42.43 22.47 12.24 41.97 2 0 1000.00 -999 ? >LEU~A 62 19.74 7.13 45.36 20.52 7.98 47.19 20.13 7.55 46.28 3 0 1000.00 -999 ? >GLY.A 63 18.70 4.79 41.35 18.37 5.12 42.03 18.54 4.95 41.69 1 0 1000.00 -999 ? >LEU.A 64 15.24 6.13 44.49 15.68 5.89 46.60 15.46 6.01 45.55 3 0 1000.00 -999 ? >VAL.A 65 13.82 6.65 40.26 12.33 8.29 40.52 13.08 7.47 40.39 3 0 1000.00 -999 ? >ASP~A 66 13.76 5.46 35.53 14.26 3.41 35.45 14.01 4.43 35.49 2 0 1000.00 -999 ? >ARG~A 67 18.86 10.43 32.26 18.36 8.24 30.16 18.61 9.33 31.21 2 0 1000.00 -999 ? >GLU~A 68 12.21 8.81 29.98 13.31 10.29 28.92 12.76 9.55 29.45 2 0 1000.00 -999 ? >ASP~A 69 10.49 8.24 36.21 9.73 6.38 35.54 10.11 7.31 35.87 2 0 1000.00 -999 ? >GLY~A 70 12.39 12.23 36.69 12.11 12.13 35.91 12.25 12.18 36.30 1 0 1000.00 -999 ? >LYS~A 71 12.47 13.97 33.30 17.58 14.27 31.50 15.02 14.12 32.40 2 0 1000.00 -999 ? >GLN~A 72 8.32 11.24 31.31 7.59 12.36 29.64 7.95 11.80 30.48 2 0 1000.00 -999 ? >ILE~A 73 8.52 14.31 37.63 8.57 13.73 38.84 8.54 14.02 38.24 3 0 1000.00 -999 ? >MET?A 74 9.85 17.97 35.45 11.54 18.72 38.27 10.70 18.34 36.86 2 0 1000.00 -999 ? >LEU~A 75 8.62 17.19 30.81 8.75 17.51 28.65 8.68 17.35 29.73 3 0 1000.00 -999 ? >ARG~A 76 1.96 17.15 34.89 2.51 16.62 37.89 2.23 16.89 36.39 2 0 1000.00 -999 ? >LEU~A 77 6.08 21.14 36.61 5.45 20.53 38.57 5.77 20.83 37.59 3 0 1000.00 -999 ? >GLU~A 78 10.04 22.83 33.25 11.60 21.39 33.13 10.82 22.11 33.19 2 0 1000.00 -999 ? >LYS~A 79 4.85 22.66 30.15 1.39 21.88 25.65 3.12 22.27 27.90 2 0 1000.00 -999 ? >GLU~A 80 0.23 23.36 33.80 -0.59 22.39 32.10 -0.18 22.88 32.95 2 0 1000.00 -999 ? >LEU~A 81 6.10 26.56 34.31 7.07 27.85 35.80 6.59 27.21 35.05 3 0 1000.00 -999 ? >SER~A 82 5.18 28.02 30.08 6.78 26.51 29.07 5.98 27.26 29.57 2 0 1000.00 -999 ? >LYS~A 83 1.49 28.89 29.71 -1.53 23.38 29.21 -0.02 26.13 29.46 2 0 1000.00 -999 ? >LEU.A 84 2.40 30.76 34.07 1.37 31.28 35.93 1.89 31.02 35.00 3 0 1000.00 -999 ? >HIS.A 85 6.17 33.07 32.50 7.24 31.62 33.57 6.70 32.34 33.03 3 0 1000.00 -999 ? >GLU.A 86 1.43 32.85 28.26 1.58 33.08 26.16 1.50 32.96 27.21 2 0 1000.00 -999 ? >ALA.A 87 1.87 38.05 30.69 0.47 38.66 30.67 1.17 38.36 30.68 2 0 1000.00 -999 ? >GLN~B 4 19.26 -2.36 50.64 18.90 -2.75 48.58 19.08 -2.55 49.61 2 0 1000.00 -999 ? >ALA~B 5 21.33 -1.16 54.70 22.21 -2.19 55.41 21.77 -1.67 55.05 2 0 1000.00 -999 ? >THR~B 6 23.19 -0.10 51.55 23.67 -1.90 50.44 23.43 -1.00 50.99 2 0 1000.00 -999 ? >MET?B 7 20.38 2.24 50.42 19.14 3.75 47.72 19.76 2.99 49.07 2 0 1000.00 -999 ? >LYS~B 8 20.10 4.01 53.78 17.25 3.93 58.76 18.68 3.97 56.27 2 0 1000.00 -999 ? >ASN~B 9 24.88 3.31 53.96 26.82 3.93 54.62 25.85 3.62 54.29 2 0 1000.00 -999 ? >ALA~B 10 24.23 5.76 50.29 23.96 4.93 49.05 24.09 5.35 49.67 2 0 1000.00 -999 ? >ALA~B 11 21.40 8.29 50.87 19.97 7.90 51.23 20.68 8.09 51.05 2 0 1000.00 -999 ? >LEU~B 12 23.34 9.04 55.28 23.74 10.11 57.18 23.54 9.58 56.23 3 0 1000.00 -999 ? >LYS~B 13 26.25 9.87 51.95 29.54 6.68 53.73 27.90 8.27 52.84 2 0 1000.00 -999 ? >GLN~B 14 23.28 11.85 46.77 24.98 12.18 45.53 24.13 12.02 46.15 2 0 1000.00 -999 ? >LEU~B 15 22.02 13.70 52.33 19.89 14.11 52.29 20.95 13.90 52.31 3 0 1000.00 -999 ? >THR~B 16 26.25 15.01 53.11 26.95 13.28 54.21 26.60 14.15 53.66 2 0 1000.00 -999 ? >LYS~B 17 28.07 15.26 49.77 30.60 13.14 44.44 29.33 14.20 47.11 2 0 1000.00 -999 ? >ASP~B 18 23.92 17.45 48.35 23.59 16.06 46.77 23.75 16.76 47.56 2 0 1000.00 -999 ? >ALA~B 19 25.74 19.58 51.92 25.42 18.96 53.28 25.58 19.27 52.60 2 0 1000.00 -999 ? >ASP~B 20 30.43 18.34 51.35 30.69 17.17 53.10 30.56 17.75 52.23 2 0 1000.00 -999 ? >GLU~B 21 29.35 19.34 46.52 28.44 18.36 44.87 28.90 18.85 45.69 2 0 1000.00 -999 ? >ILE~B 22 25.61 23.93 49.92 24.24 24.00 49.75 24.92 23.97 49.83 3 0 1000.00 -999 ? >LEU~B 23 29.56 23.42 53.62 30.21 23.62 55.69 29.88 23.52 54.65 3 0 1000.00 -999 ? >HIS~B 24 34.05 24.14 48.64 35.95 24.60 47.90 35.00 24.37 48.27 3 0 1000.00 -999 ? >LEU~B 25 29.16 27.62 47.92 28.41 27.96 45.93 28.78 27.79 46.92 3 0 1000.00 -999 ? >ILE~B 26 28.93 28.84 53.10 27.82 28.71 53.90 28.38 28.77 53.50 3 0 1000.00 -999 ? >LYS~B 27 33.43 29.06 53.13 34.61 24.61 57.41 34.02 26.83 55.27 2 0 1000.00 -999 ? >VAL~B 28 34.76 30.53 49.85 35.14 29.83 47.80 34.95 30.18 48.83 3 0 1000.00 -999 ? >GLN~B 29 30.21 33.30 49.26 30.39 34.97 47.96 30.30 34.13 48.61 2 0 1000.00 -999 ? >LEU~B 30 33.45 32.79 55.19 31.92 32.64 56.75 32.69 32.72 55.97 3 0 1000.00 -999 ? >ASP~B 31 38.05 32.38 52.67 37.99 30.88 54.19 38.02 31.63 53.43 2 0 1000.00 -999 ? >ASN.B 32 36.90 37.63 50.87 35.37 38.43 52.13 36.14 38.03 51.50 2 0 1000.00 -999 ? >CYH.B 38 26.51 40.71 45.58 27.92 41.17 47.96 27.22 40.94 46.77 2 0 1000.00 -999 ? >PRO~B 39 22.92 43.16 46.45 23.53 41.00 46.55 23.23 42.08 46.50 3 0 1000.00 -999 ? >LEU~B 40 23.00 38.30 42.64 23.24 37.02 40.88 23.12 37.66 41.76 3 0 1000.00 -999 ? >TYR~B 41 27.39 34.80 45.45 28.69 32.35 45.13 28.04 33.57 45.29 3 0 1000.00 -999 ? >GLU~B 42 22.56 36.85 51.16 21.06 38.13 51.90 21.81 37.49 51.53 2 0 1000.00 -999 ? >GLU~B 43 17.98 36.51 46.86 16.39 37.03 45.57 17.18 36.77 46.22 2 0 1000.00 -999 ? >VAL~B 44 21.78 32.08 45.42 23.31 32.03 43.85 22.54 32.05 44.64 3 0 1000.00 -999 ? >LEU~B 45 23.81 31.29 49.79 26.02 31.07 49.73 24.91 31.18 49.76 3 0 1000.00 -999 ? >ASP~B 46 18.36 32.11 50.14 18.98 33.42 51.71 18.67 32.76 50.93 2 0 1000.00 -999 ? >THR~B 47 18.06 28.90 46.97 17.51 29.55 44.96 17.79 29.23 45.97 2 0 1000.00 -999 ? >GLN~B 48 23.27 25.93 46.82 23.53 26.79 44.91 23.40 26.36 45.86 2 0 1000.00 -999 ? >MET?B 49 19.76 25.87 51.16 22.26 26.14 53.42 21.01 26.00 52.29 2 0 1000.00 -999 ? >PHE~B 50 13.86 26.16 49.02 11.19 25.44 48.53 12.52 25.80 48.78 3 0 1000.00 -999 ? >GLY~B 51 17.13 22.80 47.60 17.30 22.84 48.39 17.22 22.82 47.99 1 0 1000.00 -999 ? >LEU~B 52 20.40 21.41 50.91 21.89 20.13 51.90 21.14 20.77 51.41 3 0 1000.00 -999 ? >GLN~B 53 14.56 22.28 54.22 15.38 21.73 56.11 14.97 22.01 55.16 2 0 1000.00 -999 ? >LYS~B 54 13.95 19.59 50.00 10.81 22.28 51.79 12.38 20.94 50.89 2 0 1000.00 -999 ? >GLU~B 55 18.01 17.24 47.71 20.08 17.21 47.24 19.05 17.23 47.48 2 0 1000.00 -999 ? >VAL~B 56 16.56 16.17 53.30 17.67 17.08 54.97 17.12 16.63 54.14 3 0 1000.00 -999 ? >ASP~B 57 11.79 17.26 53.66 12.29 19.01 54.71 12.04 18.14 54.18 2 0 1000.00 -999 ? >PHE~B 58 12.62 13.04 48.49 12.19 11.02 46.61 12.41 12.03 47.55 3 0 1000.00 -999 ? >ALA~B 59 14.84 11.30 52.35 16.35 11.49 52.38 15.60 11.40 52.37 2 0 1000.00 -999 ? >VAL~B 60 13.44 11.63 55.90 13.77 13.05 57.57 13.61 12.34 56.74 3 0 1000.00 -999 ? >LYS~B 61 9.86 10.98 54.71 7.22 16.27 52.44 8.54 13.63 53.58 2 0 1000.00 -999 ? >LEU~B 62 11.69 7.85 51.53 10.86 8.33 49.59 11.28 8.09 50.56 3 0 1000.00 -999 ? >GLY.B 63 12.74 6.51 56.01 13.12 6.71 55.31 12.93 6.61 55.66 1 0 1000.00 -999 ? >LEU.B 64 16.30 7.00 52.77 15.96 6.01 50.87 16.13 6.50 51.82 3 0 1000.00 -999 ? >VAL.B 65 17.60 9.04 56.56 18.94 10.61 55.71 18.27 9.83 56.14 3 0 1000.00 -999 ? >ASP~B 66 17.65 9.08 61.40 18.29 7.08 61.05 17.97 8.08 61.23 2 0 1000.00 -999 ? >ARG~B 67 11.87 14.42 62.64 10.20 16.85 61.77 11.04 15.64 62.20 2 0 1000.00 -999 ? >GLU~B 68 17.52 14.36 65.95 15.42 14.51 65.66 16.47 14.43 65.81 2 0 1000.00 -999 ? >ASP~B 69 20.79 11.76 60.13 21.81 10.33 61.32 21.30 11.05 60.72 2 0 1000.00 -999 ? >GLY~B 70 18.81 15.53 58.49 19.06 15.65 59.27 18.93 15.59 58.88 1 0 1000.00 -999 ? >LYS~B 71 18.65 18.19 61.22 13.44 19.01 64.76 16.04 18.60 62.99 2 0 1000.00 -999 ? >GLN~B 72 23.20 16.61 63.97 24.95 17.63 64.66 24.08 17.12 64.31 2 0 1000.00 -999 ? >ILE~B 73 22.53 17.39 57.06 22.53 16.49 56.07 22.53 16.94 56.57 3 0 1000.00 -999 ? >MET?B 74 21.09 21.49 57.99 19.29 21.26 55.18 20.19 21.37 56.59 2 0 1000.00 -999 ? >LEU~B 75 22.37 22.18 62.63 22.90 22.97 64.62 22.63 22.57 63.62 3 0 1000.00 -999 ? >ARG~B 76 28.92 20.09 58.86 29.44 18.87 56.07 29.18 19.48 57.47 2 0 1000.00 -999 ? >LEU~B 77 24.70 24.22 55.86 25.45 22.84 54.34 25.08 23.53 55.10 3 0 1000.00 -999 ? >GLU~B 78 20.59 26.32 58.82 19.06 25.23 59.82 19.82 25.78 59.32 2 0 1000.00 -999 ? >LYS~B 79 25.80 27.86 61.48 30.78 26.13 64.24 28.29 27.00 62.86 2 0 1000.00 -999 ? >GLU~B 80 30.28 27.97 57.39 31.57 27.96 59.09 30.93 27.96 58.24 2 0 1000.00 -999 ? >LEU~B 81 24.32 30.17 56.12 23.21 30.78 54.34 23.77 30.48 55.23 3 0 1000.00 -999 ? >SER~B 82 24.80 32.78 59.92 23.02 31.72 61.19 23.91 32.25 60.55 2 0 1000.00 -999 ? >LYS~B 83 28.53 33.64 60.15 33.38 29.93 61.70 30.95 31.79 60.93 2 0 1000.00 -999 ? >LEU~B 84 28.17 33.88 55.32 28.83 34.27 53.27 28.50 34.08 54.30 3 0 1000.00 -999 ? >HIS~B 85 23.19 35.55 56.48 22.26 34.55 54.89 22.73 35.05 55.68 3 0 1000.00 -999 ? >GLU~B 86 27.92 38.65 62.47 28.43 37.55 64.20 28.17 38.10 63.33 2 0 1000.00 -999 ? >ALA~B 87 30.03 39.12 58.02 30.89 38.04 57.38 30.46 38.58 57.70 2 0 1000.00 -999 ? >PHE~B 88 26.91 39.10 53.52 27.34 37.24 51.47 27.13 38.17 52.50 3 0 1000.00 -999 ? >THR~B 89 26.57 43.29 57.76 25.04 43.16 59.33 25.80 43.22 58.54 2 0 1000.00 -999 ? >LEU~B 90 31.05 43.69 59.38 30.64 43.12 61.43 30.84 43.40 60.41 3 0 1000.00 -999 ? >VAL~B 91 31.64 44.65 54.94 31.85 43.30 53.18 31.74 43.97 54.06 3 0 1000.00 -999 ?