REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-MAY-06 2DP9 COMPND HYPOTHETICAL PROTEIN TTHA0113; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-121; COMPND 5 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 BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR Y.AGARI,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 2 (RSGI) >MET.A -2 5.40 44.92 -4.07 5.46 43.40 -1.12 5.43 44.16 -2.59 2 0 1000.00 -999 ? >ASP.A -1 5.48 47.26 -7.82 5.77 48.09 -9.74 5.62 47.68 -8.78 2 0 1000.00 -999 ? >TYR.A 0 10.33 45.90 -4.36 9.25 46.15 -1.80 9.79 46.02 -3.08 3 0 1000.00 -999 ? >MET.A 1 12.93 47.35 -9.41 14.73 50.41 -11.58 13.83 48.88 -10.49 2 0 1000.00 -999 ? >GLU.A 2 15.60 47.48 -5.31 14.22 46.21 -4.33 14.91 46.85 -4.82 2 0 1000.00 -999 ? >ARG.A 3 13.90 41.56 -8.56 10.92 41.92 -9.23 12.41 41.74 -8.90 2 0 1000.00 -999 ? >PRO.A 4 16.41 38.84 -4.11 17.66 40.64 -4.49 17.04 39.74 -4.30 3 0 1000.00 -999 ? >LYS.A 5 21.79 39.41 -4.57 23.18 44.59 -5.36 22.49 42.00 -4.96 2 0 1000.00 -999 ? >LEU.A 6 22.29 36.74 -0.77 24.38 37.18 -0.49 23.34 36.96 -0.63 3 0 1000.00 -999 ? >GLY^A 7 19.12 33.71 -1.65 19.83 33.58 -1.23 19.48 33.64 -1.44 1 0 1000.00 -999 ? >LEU^A 8 17.77 31.74 2.37 18.00 30.90 4.34 17.89 31.32 3.35 3 0 1000.00 -999 ? >ILE^A 9 18.25 26.44 0.04 18.78 25.42 -0.83 18.52 25.93 -0.39 3 0 1000.00 -999 ? >VAL.A 10 14.05 26.90 2.20 13.10 28.49 3.35 13.58 27.69 2.77 3 0 1000.00 -999 ? >ARG.A 11 14.08 21.19 1.44 13.45 18.58 -0.04 13.77 19.89 0.70 2 0 1000.00 -999 ? >GLU.A 12 7.86 23.75 -1.07 7.08 25.73 -0.95 7.47 24.74 -1.01 2 0 1000.00 -999 ? >PRO~A 13 5.19 23.08 4.95 6.42 23.59 3.17 5.80 23.33 4.06 3 0 1000.00 -999 ? >TYR~A 14 9.08 25.33 6.62 8.66 23.24 8.42 8.87 24.29 7.52 3 0 1000.00 -999 ? >ALA~A 15 9.22 28.45 1.61 9.84 27.75 0.40 9.53 28.10 1.01 2 0 1000.00 -999 ? >SER~A 16 5.65 29.12 0.49 4.98 27.57 -1.27 5.31 28.34 -0.39 2 0 1000.00 -999 ? >LEU~A 17 4.61 29.37 5.23 3.26 27.81 5.88 3.94 28.59 5.55 3 0 1000.00 -999 ? >ILE~A 18 8.72 32.56 3.82 10.08 32.69 4.36 9.40 32.62 4.09 3 0 1000.00 -999 ? >VAL~A 19 6.69 34.31 0.45 7.61 33.02 -1.06 7.15 33.66 -0.31 3 0 1000.00 -999 ? >ASP~A 20 2.11 32.89 0.87 2.24 31.88 -0.99 2.17 32.38 -0.06 2 0 1000.00 -999 ? >GLY.A 21 3.37 36.37 3.96 3.17 35.64 4.03 3.27 36.00 4.00 1 0 1000.00 -999 ? >ARG.A 22 -0.79 31.70 5.75 -1.68 28.80 5.40 -1.23 30.25 5.57 2 0 1000.00 -999 ? >LYS.A 23 5.51 33.09 8.23 9.09 29.23 9.91 7.30 31.16 9.07 2 0 1000.00 -999 ? >VAL.A 24 7.54 35.99 9.65 6.07 37.25 10.63 6.81 36.62 10.14 3 0 1000.00 -999 ? >TRP^A 25 9.82 35.96 13.87 9.80 34.77 17.62 9.81 35.36 15.75 3 0 1000.00 -999 ? >GLU^A 26 14.05 30.95 7.97 13.16 29.11 7.46 13.60 30.03 7.71 2 0 1000.00 -999 ? >ILE^A 27 13.21 27.86 12.96 12.99 28.47 14.22 13.10 28.16 13.59 3 0 1000.00 -999 ? >ARG^A 28 18.09 28.50 8.72 17.57 27.64 5.83 17.83 28.07 7.27 2 0 1000.00 -999 ? >ARG.A 29 21.51 23.19 12.75 19.80 20.87 13.76 20.65 22.03 13.25 2 0 1000.00 -999 ? >ARG.A 30 25.92 28.26 12.56 27.95 29.38 14.55 26.94 28.82 13.56 2 0 1000.00 -999 ? >LYS.A 31 22.40 33.71 13.66 24.12 33.75 18.10 23.26 33.73 15.88 2 0 1000.00 -999 ? >THR.A 32 23.36 35.90 10.72 22.25 36.03 8.87 22.80 35.96 9.79 2 0 1000.00 -999 ? >ARG.A 33 27.23 40.81 12.40 28.02 39.03 14.77 27.63 39.92 13.58 2 0 1000.00 -999 ? >HIS.A 34 21.93 39.04 4.65 20.83 39.60 2.95 21.38 39.32 3.80 3 0 1000.00 -999 ? >ARG.A 35 19.33 42.60 9.71 20.46 40.65 11.80 19.90 41.62 10.76 2 0 1000.00 -999 ? >GLY^A 36 17.92 43.47 3.73 17.81 42.68 4.00 17.87 43.07 3.87 1 0 1000.00 -999 ? >PRO^A 37 17.33 43.12 -0.54 16.62 42.03 1.27 16.98 42.57 0.36 3 0 1000.00 -999 ? >LEU^A 38 16.89 37.20 2.12 18.19 35.63 2.80 17.54 36.42 2.46 3 0 1000.00 -999 ? >GLY^A 39 15.59 35.53 -2.09 15.85 35.28 -1.33 15.72 35.41 -1.71 1 0 1000.00 -999 ? >ILE^A 40 12.24 32.46 -0.56 12.46 32.17 0.84 12.35 32.32 0.14 3 0 1000.00 -999 ? >VAL^A 41 14.89 29.38 -3.11 16.77 29.26 -4.19 15.83 29.32 -3.65 3 0 1000.00 -999 ? >SER^A 42 12.75 26.25 -3.08 10.79 25.32 -1.97 11.77 25.78 -2.52 2 0 1000.00 -999 ? >GLY.A 43 13.09 23.17 -5.25 13.48 23.88 -5.31 13.28 23.52 -5.28 1 0 1000.00 -999 ? >GLY.A 44 15.74 24.84 -7.39 15.04 25.19 -7.21 15.39 25.01 -7.30 1 0 1000.00 -999 ? >ARG^A 45 12.39 26.65 -10.99 11.32 23.98 -12.09 11.85 25.31 -11.54 2 0 1000.00 -999 ? >LEU^A 46 14.43 32.48 -7.44 15.14 34.25 -6.42 14.78 33.37 -6.93 3 0 1000.00 -999 ? >ILE^A 47 9.11 30.71 -5.08 9.03 29.55 -4.24 9.07 30.13 -4.66 3 0 1000.00 -999 ? >GLY^A 48 10.01 35.14 -4.04 10.74 34.76 -3.88 10.37 34.95 -3.96 1 0 1000.00 -999 ? >GLN^A 49 11.62 39.44 -2.44 12.67 41.09 -3.30 12.15 40.26 -2.87 2 0 1000.00 -999 ? >ALA^A 50 11.56 38.74 2.05 11.20 37.69 3.09 11.38 38.22 2.57 2 0 1000.00 -999 ? >ASP^A 51 13.03 42.81 4.18 12.63 43.82 2.36 12.83 43.32 3.27 2 0 1000.00 -999 ? >LEU^A 52 16.85 39.08 6.66 17.39 37.56 8.10 17.12 38.32 7.38 3 0 1000.00 -999 ? >VAL^A 53 15.33 42.75 9.43 13.24 43.33 9.15 14.28 43.04 9.29 3 0 1000.00 -999 ? >GLY^A 54 16.48 41.10 12.65 16.28 40.48 12.15 16.38 40.79 12.40 1 0 1000.00 -999 ? >VAL^A 55 17.31 37.92 14.53 18.92 36.62 13.80 18.12 37.27 14.16 3 0 1000.00 -999 ? >GLU^A 56 13.50 38.02 17.63 14.03 39.57 18.97 13.76 38.79 18.30 2 0 1000.00 -999 ? >GLY^A 57 17.17 34.12 20.11 17.49 34.85 20.28 17.33 34.48 20.20 1 0 1000.00 -999 ? >PRO^A 58 20.29 31.96 22.93 18.82 32.59 21.39 19.55 32.28 22.16 3 0 1000.00 -999 ? >PHE^A 59 13.82 31.40 20.54 12.92 33.92 19.77 13.37 32.66 20.15 3 0 1000.00 -999 ? >SER~A 60 14.68 26.59 23.47 13.19 26.85 25.39 13.93 26.72 24.43 2 0 1000.00 -999 ? >VAL~A 61 11.94 24.58 21.76 11.77 22.61 20.86 11.85 23.60 21.31 3 0 1000.00 -999 ? >GLU~A 62 10.05 23.78 26.52 11.69 22.83 25.59 10.87 23.30 26.06 2 0 1000.00 -999 ? >GLU~A 63 12.21 29.63 25.57 14.11 30.51 25.64 13.16 30.07 25.61 2 0 1000.00 -999 ? >LEU~A 64 10.16 28.10 19.37 11.68 28.89 18.05 10.92 28.49 18.71 3 0 1000.00 -999 ? >LEU~A 65 5.84 25.88 21.78 6.32 23.90 21.06 6.08 24.89 21.42 3 0 1000.00 -999 ? >ALA.A 66 4.93 30.38 22.55 5.67 31.06 23.69 5.30 30.72 23.12 2 0 1000.00 -999 ? >HIS~A 67 6.90 33.52 20.01 7.30 34.82 21.61 7.10 34.17 20.81 3 0 1000.00 -999 ? >GLN~A 68 2.04 27.23 16.50 3.66 25.88 16.26 2.85 26.56 16.38 2 0 1000.00 -999 ? >GLU~A 69 1.41 33.99 16.13 2.39 33.28 17.86 1.90 33.63 16.99 2 0 1000.00 -999 ? >LYS~A 70 5.18 33.34 13.83 5.11 37.72 16.99 5.14 35.53 15.41 2 0 1000.00 -999 ? >HIS~A 71 7.68 29.05 14.70 6.99 28.02 16.39 7.34 28.54 15.54 3 0 1000.00 -999 ? >LEU~A 72 3.59 28.11 10.61 2.13 29.68 10.30 2.86 28.90 10.45 3 0 1000.00 -999 ? >ALA.A 73 6.55 24.84 12.69 8.04 25.09 12.91 7.29 24.97 12.80 2 0 1000.00 -999 ? >GLU~A 74 3.71 20.24 12.67 2.13 20.14 14.08 2.92 20.19 13.37 2 0 1000.00 -999 ? >GLU~A 75 6.61 20.19 20.12 5.39 19.72 21.77 6.00 19.96 20.95 2 0 1000.00 -999 ? >ALA~A 76 7.62 17.26 16.51 6.69 16.29 15.80 7.16 16.78 16.16 2 0 1000.00 -999 ? >PHE~A 77 8.56 18.36 11.52 7.19 16.59 9.81 7.88 17.47 10.67 3 0 1000.00 -999 ? >LEU~A 78 10.44 22.42 16.82 10.00 24.48 16.35 10.22 23.45 16.59 3 0 1000.00 -999 ? >ARG~A 79 9.92 18.02 21.30 9.52 19.98 23.63 9.72 19.00 22.47 2 0 1000.00 -999 ? >ALA~A 80 13.80 16.58 15.94 12.94 15.84 14.93 13.37 16.21 15.44 2 0 1000.00 -999 ? >TYR~A 81 15.63 21.70 12.90 17.12 23.56 11.44 16.37 22.63 12.17 3 0 1000.00 -999 ? >ALA~A 82 17.01 21.41 17.29 16.18 22.12 18.35 16.60 21.76 17.82 2 0 1000.00 -999 ? >LYS~A 83 18.35 18.15 18.74 17.39 13.94 15.56 17.87 16.04 17.15 2 0 1000.00 -999 ? >ASP.A 84 18.80 18.37 23.08 18.78 18.71 25.17 18.79 18.54 24.13 2 0 1000.00 -999 ? >GLU.A 85 21.97 20.94 20.27 23.40 20.47 18.79 22.69 20.71 19.53 2 0 1000.00 -999 ? >PRO.A 86 21.17 26.57 22.44 19.78 25.70 20.94 20.48 26.14 21.69 3 0 1000.00 -999 ? >LEU^A 87 16.23 27.09 17.53 15.96 25.13 16.67 16.10 26.11 17.10 3 0 1000.00 -999 ? >TYR^A 88 19.72 31.72 16.78 21.87 31.41 18.55 20.80 31.56 17.67 3 0 1000.00 -999 ? >ALA^A 89 14.47 33.02 14.53 13.18 33.27 15.31 13.83 33.15 14.92 2 0 1000.00 -999 ? >TRP^A 90 17.82 33.61 11.60 19.75 32.71 8.30 18.79 33.16 9.95 3 0 1000.00 -999 ? >VAL^A 91 12.72 37.96 11.43 12.16 39.18 13.13 12.44 38.57 12.28 3 0 1000.00 -999 ? >LEU^A 92 11.00 37.39 7.13 12.42 35.81 6.73 11.71 36.60 6.93 3 0 1000.00 -999 ? >GLU^A 93 10.14 43.35 7.35 9.96 45.17 8.43 10.05 44.26 7.89 2 0 1000.00 -999 ? >ASN^A 94 8.67 43.72 2.88 8.52 45.40 4.20 8.59 44.56 3.54 2 0 1000.00 -999 ? >ALA^A 95 7.64 39.06 1.80 7.60 37.79 2.63 7.62 38.43 2.22 2 0 1000.00 -999 ? >PHE^A 96 6.93 40.25 -3.07 9.08 41.41 -4.45 8.00 40.83 -3.76 3 0 1000.00 -999 ? >ARG^A 97 3.66 32.64 -5.17 4.49 30.12 -3.63 4.08 31.38 -4.40 2 0 1000.00 -999 ? >TYR^A 98 9.67 36.64 -7.51 11.85 37.65 -6.10 10.76 37.15 -6.81 3 0 1000.00 -999 ? >GLU^A 99 5.91 38.07 -11.97 7.02 39.00 -10.39 6.46 38.53 -11.18 2 0 1000.00 -999 ? >LYS^A 100 6.74 33.73 -12.12 4.09 34.50 -16.77 5.42 34.12 -14.44 2 0 1000.00 -999 ? >PRO^A 101 7.91 29.73 -10.87 8.68 31.80 -10.64 8.29 30.76 -10.75 3 0 1000.00 -999 ? >LEU^A 102 13.61 33.40 -11.31 12.17 34.95 -11.75 12.89 34.17 -11.53 3 0 1000.00 -999 ? >HIS^A 103 16.45 27.64 -13.88 17.62 25.90 -13.81 17.03 26.77 -13.84 3 0 1000.00 -999 ? >VAL.A 104 18.36 29.05 -10.27 18.47 29.49 -8.14 18.42 29.27 -9.21 3 0 1000.00 -999 ? >PRO.A 105 22.57 29.32 -10.61 21.04 27.91 -11.41 21.81 28.61 -11.01 3 0 1000.00 -999 ? >ARG.A 106 18.58 22.67 -11.23 18.45 19.70 -12.03 18.52 21.19 -11.63 2 0 1000.00 -999 ? >ARG.A 107 23.38 20.39 -5.55 24.07 22.09 -3.09 23.72 21.24 -4.32 2 0 1000.00 -999 ? >PRO.A 108 28.56 20.38 -10.50 26.80 21.42 -9.62 27.68 20.90 -10.06 3 0 1000.00 -999 ? >GLY.A 109 27.70 24.87 -11.12 27.25 24.77 -10.44 27.48 24.82 -10.78 1 0 1000.00 -999 ? >ARG.A 110 22.64 26.26 -6.06 20.03 24.68 -6.21 21.33 25.47 -6.13 2 0 1000.00 -999 ? >VAL.A 111 27.53 29.33 -6.82 28.79 30.95 -7.52 28.16 30.14 -7.17 3 0 1000.00 -999 ? >MET.A 112 27.09 29.31 -3.04 24.18 27.66 -2.88 25.63 28.48 -2.96 2 0 1000.00 -999 ? >PHE.A 113 28.87 33.74 -2.19 29.54 34.74 -4.72 29.20 34.24 -3.46 3 0 1000.00 -999 ? >VAL.A 114 29.61 31.15 3.02 31.17 29.92 3.90 30.39 30.54 3.46 3 0 1000.00 -999 ? >ASP.A 115 26.65 33.39 6.13 26.07 35.02 7.36 26.36 34.21 6.74 2 0 1000.00 -999 ? >LEU.A 116 32.18 35.65 6.56 33.47 34.40 5.36 32.82 35.03 5.96 3 0 1000.00 -999 ? >SER.A 117 28.79 37.69 9.23 26.45 36.99 9.20 27.62 37.34 9.21 2 0 1000.00 -999 ? >GLU.A 118 26.77 35.04 12.84 26.26 36.39 14.38 26.51 35.71 13.61 2 0 1000.00 -999 ? >VAL.A 119 32.94 35.06 12.25 34.40 34.62 10.67 33.67 34.84 11.46 3 0 1000.00 -999 ? >ARG.A 120 33.30 35.07 18.10 33.61 36.44 20.82 33.45 35.75 19.46 2 0 1000.00 -999 ? >TRP.A 121 34.79 39.67 12.02 36.39 38.13 8.78 35.59 38.90 10.40 3 0 1000.00 -999 ?