REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-SEP-04 1XG8 COMPND HYPOTHETICAL PROTEIN SA0798; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS SOURCE 3 N315; SOURCE 4 ORGANISM_TAXID: 158879; SOURCE 5 STRAIN: SUBSP. AUREUS N315; SOURCE 6 GENE: GI:1123613; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR F.J.ROTELLA,R.G.ZHANG,Y.KIM,P.QUARTEY,F.COLLART, AUTHOR 2 A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) >ALA.A -8 21.92 9.18 27.03 21.67 10.39 27.91 21.80 9.78 27.47 2 0 1000.00 -999 ? >ASN.A -7 18.92 5.80 26.09 17.13 5.01 25.30 18.03 5.40 25.70 2 0 1000.00 -999 ? >LEU.A -6 14.23 7.75 28.63 13.55 9.75 29.09 13.89 8.75 28.86 3 0 1000.00 -999 ? >TYR.A -5 13.65 2.94 27.33 11.13 3.75 26.46 12.39 3.34 26.89 3 0 1000.00 -999 ? >PHE.A -4 20.63 2.83 28.24 21.34 1.98 25.66 20.99 2.40 26.95 3 0 1000.00 -999 ? >GLN.A -3 19.61 5.95 33.89 19.52 6.27 31.78 19.56 6.11 32.83 2 0 1000.00 -999 ? >SER.A -2 15.87 4.92 36.42 15.14 3.14 37.92 15.50 4.03 37.17 2 0 1000.00 -999 ? >ASN^A -1 14.43 9.02 34.49 15.10 8.06 32.71 14.76 8.54 33.60 2 0 1000.00 -999 ? >ALA^A 0 15.77 11.18 38.46 17.15 11.68 38.89 16.46 11.43 38.68 2 0 1000.00 -999 ? >VAL^A 1 12.70 13.38 38.72 10.82 12.98 37.75 11.76 13.18 38.23 3 0 1000.00 -999 ? >VAL^A 2 12.91 16.19 41.25 14.79 16.56 42.32 13.85 16.37 41.79 3 0 1000.00 -999 ? >VAL^A 3 10.45 18.80 42.47 8.24 18.65 42.55 9.35 18.72 42.51 3 0 1000.00 -999 ? >TYR^A 4 14.30 21.92 43.10 16.52 20.43 42.32 15.41 21.18 42.71 3 0 1000.00 -999 ? >GLY^A 5 9.47 23.75 46.22 10.03 23.46 46.76 9.75 23.60 46.49 1 0 1000.00 -999 ? >ALA.A 6 8.17 24.52 49.67 8.51 25.97 49.97 8.34 25.25 49.82 2 0 1000.00 -999 ? >ASP.A 7 5.35 23.16 53.32 3.61 22.13 53.92 4.48 22.65 53.62 2 0 1000.00 -999 ? >VAL.A 8 4.03 27.31 51.22 5.32 28.32 52.64 4.68 27.82 51.93 3 0 1000.00 -999 ? >ILE.A 9 1.53 29.38 47.56 0.82 28.90 47.76 1.18 29.14 47.66 3 0 1000.00 -999 ? >CYH~A 10 5.20 30.93 45.56 6.75 31.38 43.26 5.97 31.15 44.41 2 0 1000.00 -999 ? >ALA~A 11 4.22 34.62 45.40 5.10 35.74 45.91 4.66 35.18 45.65 2 0 1000.00 -999 ? >SER~A 12 4.53 34.76 41.60 6.73 35.67 41.23 5.63 35.22 41.42 2 0 1000.00 -999 ? >CYH~A 13 1.98 31.98 41.07 4.18 30.27 40.91 3.08 31.13 40.99 2 0 1000.00 -999 ? >VAL~A 14 -0.47 32.28 43.93 -1.15 34.02 45.06 -0.81 33.15 44.49 3 0 1000.00 -999 ? >ASN.A 15 -4.25 31.02 41.24 -5.10 32.87 41.86 -4.67 31.94 41.55 2 0 1000.00 -999 ? >ALA.A 16 -1.22 27.54 40.84 0.12 27.72 40.15 -0.55 27.63 40.50 2 0 1000.00 -999 ? >PRO.A 17 -1.83 23.34 40.20 -1.05 24.58 41.86 -1.44 23.96 41.03 3 0 1000.00 -999 ? >THR~A 18 1.25 23.63 45.35 1.20 22.79 47.33 1.22 23.21 46.34 2 0 1000.00 -999 ? >SER~A 19 4.66 21.91 45.27 6.38 23.59 45.62 5.52 22.75 45.44 2 0 1000.00 -999 ? >LYS~A 20 3.41 18.81 47.09 4.26 19.07 53.40 3.83 18.94 50.24 2 0 1000.00 -999 ? >ASP~A 21 -0.68 19.70 44.52 -1.77 20.42 46.19 -1.22 20.06 45.35 2 0 1000.00 -999 ? >ILE~A 22 3.43 19.73 41.34 3.03 20.01 39.98 3.23 19.87 40.66 3 0 1000.00 -999 ? >TYR~A 23 6.55 15.17 45.03 8.27 13.12 45.88 7.41 14.15 45.46 3 0 1000.00 -999 ? >ASP~A 24 0.92 13.98 45.21 1.72 13.90 47.14 1.32 13.94 46.18 2 0 1000.00 -999 ? >TRP~A 25 -1.53 15.48 38.21 1.21 17.39 36.14 -0.16 16.44 37.18 3 0 1000.00 -999 ? >LEU~A 26 4.82 14.54 39.06 6.14 15.51 37.68 5.48 15.02 38.37 3 0 1000.00 -999 ? >GLN~A 27 5.60 10.25 42.15 5.62 10.66 44.25 5.61 10.45 43.20 2 0 1000.00 -999 ? >PRO~A 28 -0.07 9.46 40.90 1.34 9.09 39.23 0.64 9.28 40.06 3 0 1000.00 -999 ? >LEU~A 29 1.25 12.17 35.63 0.91 13.57 34.03 1.08 12.87 34.83 3 0 1000.00 -999 ? >LEU~A 30 5.56 9.67 35.02 6.37 11.60 34.53 5.97 10.63 34.78 3 0 1000.00 -999 ? >LYS~A 31 3.49 5.75 35.78 -0.20 4.43 38.01 1.64 5.09 36.90 2 0 1000.00 -999 ? >ARG~A 32 -3.22 7.11 33.61 -3.59 8.92 36.07 -3.40 8.01 34.84 2 0 1000.00 -999 ? >LYS~A 33 1.72 7.50 30.37 -1.44 11.38 28.93 0.14 9.44 29.65 2 0 1000.00 -999 ? >TYR~A 34 6.07 8.17 29.69 5.45 10.46 28.20 5.76 9.32 28.95 3 0 1000.00 -999 ? >PRO.A 35 2.66 2.63 30.69 4.63 3.07 31.60 3.64 2.85 31.14 3 0 1000.00 -999 ? >ASN.A 36 8.08 0.61 29.21 6.46 -0.60 28.54 7.27 0.00 28.87 2 0 1000.00 -999 ? >ILE.A 37 10.01 5.37 31.42 10.58 6.46 30.58 10.30 5.92 31.00 3 0 1000.00 -999 ? >SER.A 38 11.45 3.90 35.47 13.73 3.01 35.40 12.59 3.46 35.43 2 0 1000.00 -999 ? >PHE^A 39 9.98 8.39 35.78 9.48 8.91 33.08 9.73 8.65 34.43 3 0 1000.00 -999 ? >LYS^A 40 12.73 7.87 40.93 18.35 6.13 40.79 15.54 7.00 40.86 2 0 1000.00 -999 ? >TYR^A 41 8.92 10.46 41.49 7.73 9.61 39.10 8.33 10.04 40.30 3 0 1000.00 -999 ? >THR^A 42 12.57 13.35 45.12 14.67 13.21 45.59 13.62 13.28 45.35 2 0 1000.00 -999 ? >TYR^A 43 9.23 17.62 48.03 8.16 20.03 48.97 8.70 18.83 48.50 3 0 1000.00 -999 ? >ILE^A 44 14.61 19.51 47.08 16.01 19.48 46.85 15.31 19.50 46.96 3 0 1000.00 -999 ? >ASP^A 45 11.49 21.54 51.69 10.37 23.08 52.57 10.93 22.31 52.13 2 0 1000.00 -999 ? >ILE.A 46 13.81 26.02 48.38 12.93 26.55 47.29 13.37 26.29 47.84 3 0 1000.00 -999 ? >THR.A 47 13.56 25.79 53.20 11.83 26.51 54.28 12.69 26.15 53.74 2 0 1000.00 -999 ? >LYS.A 48 14.54 22.70 55.22 9.55 18.78 54.69 12.05 20.74 54.95 2 0 1000.00 -999 ? >ASP.A 49 18.63 24.00 53.91 17.81 25.21 52.41 18.22 24.60 53.16 2 0 1000.00 -999 ? >LEU.A 53 22.14 20.30 48.52 20.18 21.16 48.79 21.16 20.73 48.66 3 0 1000.00 -999 ? >THR~A 54 24.02 18.41 44.74 22.65 17.19 43.61 23.33 17.80 44.18 2 0 1000.00 -999 ? >ASP~A 55 26.95 21.10 41.86 27.39 22.98 40.94 27.17 22.04 41.40 2 0 1000.00 -999 ? >HIS~A 56 23.00 19.81 38.52 24.11 19.59 36.76 23.56 19.70 37.64 3 0 1000.00 -999 ? >ASP~A 57 20.14 20.16 44.81 19.72 18.14 44.47 19.93 19.15 44.64 2 0 1000.00 -999 ? >LEU~A 58 23.30 23.94 45.48 23.41 26.01 46.06 23.35 24.98 45.77 3 0 1000.00 -999 ? >GLN~A 59 22.30 25.25 38.84 23.52 24.51 37.26 22.91 24.88 38.05 2 0 1000.00 -999 ? >PHE~A 60 17.68 23.51 39.23 18.09 22.37 36.72 17.89 22.94 37.98 3 0 1000.00 -999 ? >ILE~A 61 18.01 25.68 45.70 17.78 24.95 46.93 17.89 25.31 46.31 3 0 1000.00 -999 ? >GLU~A 62 22.11 28.67 44.21 23.19 29.96 45.53 22.65 29.31 44.87 2 0 1000.00 -999 ? >ARG~A 63 18.69 28.15 37.94 19.05 28.54 34.95 18.87 28.35 36.45 2 0 1000.00 -999 ? >ILE~A 64 13.93 28.82 43.41 12.93 27.75 43.54 13.43 28.28 43.47 3 0 1000.00 -999 ? >GLU~A 65 16.70 30.26 47.28 15.42 30.38 48.99 16.06 30.32 48.13 2 0 1000.00 -999 ? >ASP.A 67 12.82 36.36 42.03 12.95 37.50 40.22 12.88 36.93 41.12 2 0 1000.00 -999 ? >GLU.A 68 16.31 33.65 36.60 17.76 32.33 35.84 17.03 32.99 36.22 2 0 1000.00 -999 ? >LEU.A 69 13.36 29.22 38.39 14.31 28.45 36.62 13.84 28.84 37.51 3 0 1000.00 -999 ? >PHE.A 70 7.96 31.53 39.11 7.78 34.04 37.88 7.87 32.78 38.49 3 0 1000.00 -999 ? >TYR.A 71 8.64 27.28 44.73 7.62 28.71 46.89 8.13 27.99 45.81 3 0 1000.00 -999 ? >PRO.A 72 4.97 23.71 41.41 6.82 24.67 42.20 5.90 24.19 41.80 3 0 1000.00 -999 ? >LEU^A 73 11.57 24.15 40.14 13.21 24.58 38.78 12.39 24.36 39.46 3 0 1000.00 -999 ? >ILE^A 74 9.26 19.61 37.17 8.14 18.58 37.10 8.70 19.10 37.13 3 0 1000.00 -999 ? >THR^A 75 13.72 18.70 36.73 15.15 19.59 38.11 14.43 19.15 37.42 2 0 1000.00 -999 ? >MET^A 76 14.45 15.30 35.19 12.45 12.63 32.66 13.45 13.96 33.92 2 0 1000.00 -999 ? >ASN.A 77 18.15 13.33 33.94 17.43 11.32 34.09 17.79 12.32 34.01 2 0 1000.00 -999 ? >ASP.A 78 20.53 17.41 36.61 21.02 16.73 38.54 20.78 17.07 37.57 2 0 1000.00 -999 ? >GLU^A 79 18.58 17.53 31.64 18.25 16.41 29.87 18.42 16.97 30.76 2 0 1000.00 -999 ? >TYR^A 80 14.05 24.34 33.18 11.68 25.82 33.02 12.87 25.08 33.10 3 0 1000.00 -999 ? >VAL^A 81 11.53 20.91 32.63 10.88 18.84 32.67 11.21 19.87 32.65 3 0 1000.00 -999 ? >ALA^A 82 8.95 23.27 34.19 7.59 22.59 33.98 8.27 22.93 34.08 2 0 1000.00 -999 ? >ASP^A 83 9.86 26.73 37.12 9.93 28.40 35.79 9.90 27.56 36.45 2 0 1000.00 -999 ? >GLY.A 84 5.64 27.61 38.66 5.57 26.92 38.23 5.61 27.27 38.45 1 0 1000.00 -999 ? >TYR.A 85 1.29 29.52 36.49 0.05 31.47 38.09 0.67 30.49 37.29 3 0 1000.00 -999 ? >ILE.A 86 3.66 22.82 35.93 4.73 22.16 36.46 4.19 22.49 36.19 3 0 1000.00 -999 ? >GLN~A 87 0.12 24.12 30.70 -0.16 24.94 28.75 -0.02 24.53 29.73 2 0 1000.00 -999 ? >THR~A 88 0.85 18.48 31.52 -0.84 17.26 32.01 0.01 17.87 31.76 2 0 1000.00 -999 ? >LYS~A 89 2.04 18.88 27.92 -2.07 18.44 24.56 -0.01 18.66 26.24 2 0 1000.00 -999 ? >GLN~A 90 4.78 22.80 29.90 5.35 24.31 31.27 5.06 23.56 30.59 2 0 1000.00 -999 ? >ILE~A 91 5.20 16.67 32.25 6.06 16.98 33.32 5.63 16.83 32.78 3 0 1000.00 -999 ? >THR~A 92 4.93 14.89 28.27 2.76 14.87 28.16 3.84 14.88 28.22 2 0 1000.00 -999 ? >ARG~A 93 4.33 19.52 23.70 2.09 21.06 22.26 3.21 20.29 22.98 2 0 1000.00 -999 ? >PHE~A 94 11.45 17.41 29.11 14.16 17.42 29.89 12.81 17.42 29.50 3 0 1000.00 -999 ? >ILE~A 95 8.95 12.26 28.61 8.79 11.38 29.74 8.87 11.82 29.18 3 0 1000.00 -999 ? >ASP~A 96 6.93 12.90 23.73 5.26 12.08 24.69 6.09 12.49 24.21 2 0 1000.00 -999 ? >GLN~A 97 12.28 16.56 22.11 14.21 15.67 22.27 13.25 16.11 22.19 2 0 1000.00 -999 ? >LYS~A 98 13.54 12.23 24.17 16.34 14.90 27.83 14.94 13.57 26.00 2 0 1000.00 -999 ? >LEU~A 99 10.37 8.62 23.53 9.75 7.85 25.44 10.06 8.24 24.49 3 0 1000.00 -999 ? >VAL~A 100 11.52 10.16 19.60 10.06 11.33 18.45 10.79 10.74 19.03 3 0 1000.00 -999 ? >ASN~A 101 15.29 12.99 19.30 13.83 14.07 18.19 14.56 13.53 18.74 2 0 1000.00 -999 ? >GLU~A 102 16.76 10.52 24.17 17.63 11.04 26.04 17.20 10.78 25.11 2 0 1000.00 -999 ?