REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-JUL-04 1WNA COMPND THE HYPOTHETICAL PROTEIN (TT1805); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11 AUTHOR A.A.PIOSZAK,S.KISHISHITA,M.SHIROUZU,S.KURAMITSU,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 6 8 HET MSE A 99 8 HET MSE A 115 8 >MET?A 1 18.01 21.72 29.55 21.86 21.82 31.41 19.94 21.77 30.48 2 0 1000.00 -999 ? >VAL^A 2 16.02 20.31 32.46 14.22 19.08 32.40 15.12 19.70 32.43 3 0 1000.00 -999 ? >ARG^A 3 19.19 22.93 38.23 21.08 24.17 40.32 20.14 23.55 39.28 2 0 1000.00 -999 ? >VAL.A 4 16.09 17.83 38.63 15.64 16.17 37.27 15.86 17.00 37.95 3 0 1000.00 -999 ? >GLY.A 5 17.24 16.86 42.09 17.01 17.64 41.89 17.12 17.25 41.99 1 0 1000.00 -999 ? >MET?A 6 18.69 19.07 44.81 15.24 19.64 47.20 16.97 19.35 46.01 2 0 1000.00 -999 ? >ARG.A 7 24.48 22.86 47.24 24.01 23.74 44.33 24.25 23.30 45.78 2 0 1000.00 -999 ? >ALA.A 8 23.24 17.57 49.01 23.50 18.51 50.18 23.37 18.04 49.60 2 0 1000.00 -999 ? >ALA~A 9 20.19 15.32 48.59 18.87 16.05 48.32 19.53 15.68 48.46 2 0 1000.00 -999 ? >PRO~A 10 23.04 12.19 49.03 21.35 12.56 47.63 22.19 12.38 48.33 3 0 1000.00 -999 ? >ARG~A 11 18.33 7.79 50.94 18.04 8.72 53.85 18.19 8.26 52.40 2 0 1000.00 -999 ? >VAL~A 12 15.86 12.35 46.46 14.70 13.94 47.41 15.28 13.14 46.94 3 0 1000.00 -999 ? >SER~A 13 18.01 13.34 43.49 19.30 15.25 44.26 18.65 14.29 43.87 2 0 1000.00 -999 ? >LEU~A 14 19.17 8.60 43.22 19.91 6.76 42.39 19.54 7.68 42.81 3 0 1000.00 -999 ? >GLU~A 15 12.41 8.96 43.29 11.19 8.58 44.97 11.80 8.77 44.13 2 0 1000.00 -999 ? >ALA~A 16 14.20 12.40 40.47 14.57 13.83 40.93 14.38 13.12 40.70 2 0 1000.00 -999 ? >LEU~A 17 18.26 11.00 38.14 19.67 10.71 36.52 18.96 10.86 37.33 3 0 1000.00 -999 ? >LYS~A 18 15.13 7.91 37.56 16.53 3.65 42.10 15.83 5.78 39.83 2 0 1000.00 -999 ? >ALA~A 19 11.76 9.57 37.01 11.03 10.44 38.04 11.39 10.01 37.52 2 0 1000.00 -999 ? >ALA~A 20 13.03 11.91 34.30 13.99 13.09 34.50 13.51 12.50 34.40 2 0 1000.00 -999 ? >LEU~A 21 16.28 8.52 33.20 17.97 7.69 32.14 17.12 8.11 32.67 3 0 1000.00 -999 ? >GLY~A 22 12.41 6.47 32.45 13.25 6.43 32.33 12.83 6.45 32.39 1 0 1000.00 -999 ? >GLY.A 23 13.29 3.78 29.94 13.40 4.54 29.72 13.34 4.16 29.83 1 0 1000.00 -999 ? >LEU.A 24 15.65 7.52 27.99 16.31 9.03 26.59 15.98 8.27 27.29 3 0 1000.00 -999 ? >LYS.A 25 18.28 4.20 26.10 16.22 -0.70 22.62 17.25 1.75 24.36 2 0 1000.00 -999 ? >LEU.A 26 22.01 6.34 27.89 20.86 7.56 29.25 21.43 6.95 28.57 3 0 1000.00 -999 ? >SER.A 27 23.99 4.09 24.12 22.70 3.69 22.10 23.34 3.89 23.11 2 0 1000.00 -999 ? >GLU.A 28 25.06 7.20 19.86 25.02 5.08 19.81 25.04 6.14 19.83 2 0 1000.00 -999 ? >ALA.A 29 24.96 9.56 25.50 24.02 9.35 26.68 24.49 9.45 26.09 2 0 1000.00 -999 ? >LYS^A 30 27.87 11.31 27.16 31.09 13.52 22.19 29.48 12.41 24.67 2 0 1000.00 -999 ? >VAL^A 31 27.73 11.33 30.95 26.95 9.67 32.13 27.34 10.50 31.54 3 0 1000.00 -999 ? >TYR^A 32 29.88 15.64 30.62 30.36 15.64 27.88 30.12 15.64 29.25 3 0 1000.00 -999 ? >LEU^A 33 30.89 12.65 37.00 29.64 10.93 37.45 30.27 11.79 37.22 3 0 1000.00 -999 ? >ILE^A 34 30.26 18.53 37.46 29.79 19.61 36.68 30.02 19.07 37.07 3 0 1000.00 -999 ? >THR^A 35 33.31 17.25 40.89 34.85 15.84 41.47 34.08 16.55 41.18 2 0 1000.00 -999 ? >ASP^A 36 34.47 20.19 44.44 34.10 18.70 45.94 34.29 19.44 45.19 2 0 1000.00 -999 ? >TRP.A 37 41.85 19.05 44.01 44.39 22.02 43.57 43.12 20.53 43.79 3 0 1000.00 -999 ? >GLN.A 38 36.80 17.92 47.76 36.68 19.55 49.14 36.74 18.74 48.45 2 0 1000.00 -999 ? >ASP.A 39 42.73 16.13 50.16 44.54 15.08 50.51 43.63 15.61 50.34 2 0 1000.00 -999 ? >LYS.A 40 40.49 12.58 48.61 43.43 9.98 53.60 41.96 11.28 51.10 2 0 1000.00 -999 ? >ARG.A 41 37.78 10.33 43.50 37.57 11.09 40.52 37.68 10.71 42.01 2 0 1000.00 -999 ? >ASP.A 42 36.72 9.44 51.22 38.44 10.41 51.95 37.58 9.92 51.58 2 0 1000.00 -999 ? >GLN.A 43 37.53 14.87 50.41 39.10 15.68 51.61 38.32 15.27 51.01 2 0 1000.00 -999 ? >ALA.A 44 34.24 14.44 46.91 34.82 13.63 45.76 34.53 14.03 46.33 2 0 1000.00 -999 ? >ARG.A 45 30.02 19.33 46.42 28.90 20.15 49.16 29.46 19.74 47.79 2 0 1000.00 -999 ? >TYR^A 46 30.85 13.10 42.01 33.29 11.90 42.61 32.07 12.50 42.31 3 0 1000.00 -999 ? >ALA^A 47 26.84 16.89 40.01 26.92 18.38 39.70 26.88 17.63 39.85 2 0 1000.00 -999 ? >LEU^A 48 24.65 14.03 37.02 24.14 12.47 35.57 24.39 13.25 36.30 3 0 1000.00 -999 ? >LEU^A 49 26.19 17.70 32.75 25.53 19.25 31.36 25.86 18.47 32.05 3 0 1000.00 -999 ? >LEU^A 50 22.50 13.08 31.61 22.01 11.07 30.94 22.26 12.08 31.27 3 0 1000.00 -999 ? >HIS^A 51 25.36 15.84 25.50 25.28 16.76 23.62 25.32 16.30 24.56 3 0 1000.00 -999 ? >THR.A 52 21.96 12.25 25.36 19.89 12.45 25.93 20.93 12.35 25.64 2 0 1000.00 -999 ? >GLY.A 53 22.52 13.87 21.99 21.78 14.05 22.39 22.15 13.96 22.19 1 0 1000.00 -999 ? >LYS.A 54 18.88 14.85 21.65 16.97 9.68 18.48 17.92 12.26 20.06 2 0 1000.00 -999 ? >LYS.A 55 18.35 16.46 25.07 13.74 12.51 27.01 16.05 14.48 26.04 2 0 1000.00 -999 ? >ASP^A 56 21.28 18.50 28.14 22.44 18.45 26.38 21.86 18.47 27.26 2 0 1000.00 -999 ? >LEU^A 57 18.89 15.68 32.27 18.42 14.68 34.14 18.65 15.18 33.20 3 0 1000.00 -999 ? >LEU^A 58 21.66 19.94 34.90 23.25 21.04 35.90 22.46 20.49 35.40 3 0 1000.00 -999 ? >VAL^A 59 21.39 17.24 38.56 20.77 15.26 39.19 21.08 16.25 38.88 3 0 1000.00 -999 ? >PRO^A 60 21.14 19.73 42.16 22.70 19.10 40.72 21.92 19.41 41.44 3 0 1000.00 -999 ? >ASP^A 61 27.13 19.28 43.96 26.46 21.11 44.85 26.79 20.20 44.40 2 0 1000.00 -999 ? >ALA^A 62 24.00 15.69 45.32 22.56 15.55 44.79 23.28 15.62 45.05 2 0 1000.00 -999 ? >PHE^A 63 24.77 11.98 43.01 22.21 12.21 41.87 23.49 12.09 42.44 3 0 1000.00 -999 ? >GLY.A 64 29.40 11.29 46.45 28.79 11.28 46.97 29.10 11.28 46.71 1 0 1000.00 -999 ? >PRO.A 65 33.00 10.43 48.57 30.86 10.60 49.12 31.93 10.51 48.85 3 0 1000.00 -999 ? >ALA.A 66 30.62 14.17 50.82 30.63 15.37 49.85 30.62 14.77 50.33 2 0 1000.00 -999 ? >PHE.A 67 26.31 14.90 49.91 26.96 17.15 48.37 26.64 16.03 49.14 3 0 1000.00 -999 ? >PRO.A 68 24.20 12.40 54.94 25.72 11.30 53.71 24.96 11.85 54.32 3 0 1000.00 -999 ? >GLY~A 69 24.26 7.93 51.67 24.84 8.50 51.46 24.55 8.21 51.57 1 0 1000.00 -999 ? >GLY~A 70 26.01 9.75 48.83 26.25 9.06 49.09 26.13 9.40 48.96 1 0 1000.00 -999 ? >GLU~A 71 30.76 5.72 48.48 32.09 4.96 49.95 31.43 5.34 49.21 2 0 1000.00 -999 ? >GLU~A 72 24.08 2.91 48.16 22.82 2.09 49.64 23.45 2.50 48.90 2 0 1000.00 -999 ? >ALA~A 73 23.82 6.89 45.60 23.21 8.22 46.08 23.51 7.55 45.84 2 0 1000.00 -999 ? >LEU~A 74 28.11 8.20 43.67 29.61 9.02 42.34 28.86 8.61 43.01 3 0 1000.00 -999 ? >SER~A 75 27.36 3.95 42.66 28.07 1.67 43.16 27.71 2.81 42.91 2 0 1000.00 -999 ? >GLU~A 76 22.76 2.42 44.21 21.36 2.54 45.80 22.06 2.48 45.01 2 0 1000.00 -999 ? >LEU~A 77 23.88 7.81 40.10 23.69 9.53 38.82 23.79 8.67 39.46 3 0 1000.00 -999 ? >VAL~A 78 26.35 5.12 37.59 28.52 5.28 37.62 27.43 5.20 37.61 3 0 1000.00 -999 ? >GLY~A 79 24.66 1.72 37.72 24.37 2.46 37.46 24.51 2.09 37.59 1 0 1000.00 -999 ? >LEU~A 80 20.56 4.27 37.24 18.58 5.05 36.86 19.57 4.66 37.05 3 0 1000.00 -999 ? >LEU~A 81 24.00 6.07 33.63 23.41 8.10 34.11 23.70 7.08 33.87 3 0 1000.00 -999 ? >LEU~A 82 25.95 0.99 33.50 28.07 1.37 33.73 27.01 1.18 33.62 3 0 1000.00 -999 ? >ALA~A 83 21.73 -0.29 32.88 20.83 -0.34 34.12 21.28 -0.31 33.50 2 0 1000.00 -999 ? >GLN~A 84 18.79 3.61 31.82 16.92 2.62 31.59 17.86 3.11 31.70 2 0 1000.00 -999 ? >GLY.A 85 23.11 1.53 27.92 23.23 2.06 28.44 23.17 1.80 28.18 1 0 1000.00 -999 ? >ALA.A 86 25.44 4.42 28.72 25.33 5.42 29.88 25.39 4.92 29.30 2 0 1000.00 -999 ? >ARG.A 87 28.65 0.70 26.81 30.13 -1.92 26.23 29.39 -0.61 26.52 2 0 1000.00 -999 ? >ARG^A 88 31.07 7.91 23.82 29.37 9.43 21.79 30.22 8.67 22.81 2 0 1000.00 -999 ? >PHE^A 89 30.61 7.05 32.39 28.34 5.44 32.71 29.48 6.25 32.55 3 0 1000.00 -999 ? >TYR^A 90 33.35 12.52 29.16 33.08 11.54 26.56 33.21 12.03 27.86 3 0 1000.00 -999 ? >GLU^A 91 35.63 13.98 37.04 36.55 12.84 38.56 36.09 13.41 37.80 2 0 1000.00 -999 ? >ALA^A 92 35.14 17.77 34.96 34.08 18.66 34.32 34.61 18.22 34.64 2 0 1000.00 -999 ? >VAL^A 93 36.94 19.23 37.99 38.58 18.18 38.99 37.76 18.70 38.49 3 0 1000.00 -999 ? >VAL^A 94 36.10 22.68 39.35 33.99 22.77 38.77 35.05 22.73 39.06 3 0 1000.00 -999 ? >SER~A 95 37.06 24.64 42.47 36.68 26.97 41.96 36.87 25.81 42.22 2 0 1000.00 -999 ? >PRO~A 96 36.74 23.09 46.52 35.41 24.19 45.10 36.07 23.64 45.81 3 0 1000.00 -999 ? >GLY~A 97 33.93 27.82 45.67 33.94 27.42 45.01 33.94 27.62 45.34 1 0 1000.00 -999 ? >GLU~A 98 34.81 29.27 41.25 33.80 31.11 41.53 34.31 30.19 41.39 2 0 1000.00 -999 ? >MET?A 99 30.70 24.73 41.76 29.65 21.43 41.03 30.17 23.08 41.40 2 0 1000.00 -999 ? >THR~A 100 27.37 26.44 42.42 26.16 26.92 44.13 26.76 26.68 43.27 2 0 1000.00 -999 ? >ALA~A 101 28.19 29.33 40.08 29.39 30.27 40.20 28.79 29.80 40.14 2 0 1000.00 -999 ? >LEU~A 102 30.13 25.70 37.52 30.97 24.46 35.96 30.55 25.08 36.74 3 0 1000.00 -999 ? >LEU~A 103 25.45 24.08 38.95 26.32 22.15 39.42 25.88 23.11 39.18 3 0 1000.00 -999 ? >ASP~A 104 23.85 29.26 38.48 23.21 28.55 40.37 23.53 28.90 39.42 2 0 1000.00 -999 ? >LEU.A 105 26.72 28.53 33.49 28.67 29.39 33.79 27.69 28.96 33.64 3 0 1000.00 -999 ? >PRO~A 106 23.52 31.45 30.91 23.50 29.32 31.53 23.51 30.39 31.22 3 0 1000.00 -999 ? >PRO~A 107 20.15 26.10 29.77 22.35 26.35 29.77 21.25 26.22 29.77 3 0 1000.00 -999 ? >GLU~A 108 23.03 27.17 24.54 22.61 28.73 23.17 22.82 27.95 23.85 2 0 1000.00 -999 ? >GLU~A 109 27.41 30.43 28.45 27.51 32.17 29.65 27.46 31.30 29.05 2 0 1000.00 -999 ? >LEU~A 110 26.23 24.62 31.84 26.37 23.37 33.60 26.30 23.99 32.72 3 0 1000.00 -999 ? >LEU~A 111 26.60 22.12 27.28 26.35 20.23 26.26 26.47 21.18 26.77 3 0 1000.00 -999 ? >LYS~A 112 30.47 24.19 26.54 32.79 29.34 23.67 31.63 26.77 25.10 2 0 1000.00 -999 ? >ARG~A 113 33.86 26.44 31.98 36.31 27.57 33.41 35.08 27.00 32.69 2 0 1000.00 -999 ? >VAL~A 114 32.04 21.17 30.94 30.53 20.13 32.13 31.29 20.65 31.53 3 0 1000.00 -999 ? >MET?A 115 32.98 19.58 27.63 30.05 19.01 24.59 31.52 19.30 26.11 2 0 1000.00 -999 ? >ALA~A 116 35.98 21.89 27.39 35.92 23.41 27.46 35.95 22.65 27.43 2 0 1000.00 -999 ? >ILE~A 117 37.40 21.64 31.94 36.72 22.64 32.74 37.06 22.14 32.34 3 0 1000.00 -999 ? >ALA~A 118 36.28 17.19 31.01 34.83 16.74 30.76 35.55 16.97 30.89 2 0 1000.00 -999 ? >ASN^A 119 39.69 13.93 31.51 41.29 15.23 30.99 40.49 14.58 31.25 2 0 1000.00 -999 ? >PRO^A 120 38.07 11.07 27.51 37.58 11.29 29.66 37.82 11.18 28.59 3 0 1000.00 -999 ? >THR.A 121 36.87 8.63 32.85 35.64 9.20 34.57 36.26 8.92 33.71 2 0 1000.00 -999 ? >ASP~A 122 37.57 4.05 34.14 37.01 2.03 34.37 37.29 3.04 34.26 2 0 1000.00 -999 ? >PRO~A 123 32.40 3.29 33.48 33.53 4.62 34.89 32.96 3.96 34.18 3 0 1000.00 -999 ? >GLY~A 124 34.42 1.99 37.70 34.56 2.78 37.72 34.49 2.38 37.71 1 0 1000.00 -999 ? >ILE~A 125 37.05 5.84 39.25 37.49 6.77 38.25 37.27 6.31 38.75 3 0 1000.00 -999 ? >TYR~A 126 32.44 7.59 39.41 33.72 9.55 37.88 33.08 8.57 38.64 3 0 1000.00 -999 ? >LEU~A 127 31.78 1.16 41.47 30.60 1.10 39.66 31.19 1.13 40.57 3 0 1000.00 -999 ?