REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 08-APR-03 1OZ9 COMPND HYPOTHETICAL PROTEIN AQ_1354; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; SOURCE 3 ORGANISM_TAXID: 63363; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PLIC AUTHOR V.OGANESYAN,D.BUSSO,J.BRANDSEN,S.CHEN,J.JANCARIK,R.KIM,S.H.KIM, AUTHOR 2 BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) >LYS.A 8 30.36 19.81 36.66 27.57 23.47 39.19 28.96 21.64 37.93 2 0 1000.00 -999 ? >ASN.A 9 35.04 20.06 37.47 34.44 21.87 38.34 34.74 20.97 37.91 2 0 1000.00 -999 ? >ARG^A 10 36.93 16.65 30.53 38.07 15.96 27.83 37.50 16.30 29.18 2 0 1000.00 -999 ? >VAL^A 11 38.81 15.55 36.35 39.00 15.60 38.52 38.90 15.57 37.44 3 0 1000.00 -999 ? >LEU^A 12 41.83 14.00 33.04 40.45 14.50 31.44 41.14 14.25 32.24 3 0 1000.00 -999 ? >VAL^A 13 43.24 10.99 36.41 42.77 10.41 38.44 43.00 10.70 37.42 3 0 1000.00 -999 ? >LYS^A 14 46.21 9.11 34.97 46.92 11.04 29.06 46.57 10.08 32.02 2 0 1000.00 -999 ? >LEU^A 15 47.21 5.55 37.90 45.73 6.21 39.39 46.47 5.88 38.65 3 0 1000.00 -999 ? >LYS.A 16 51.50 5.13 36.30 57.45 5.46 34.10 54.47 5.29 35.20 2 0 1000.00 -999 ? >LYS.A 17 51.62 4.07 39.98 56.61 1.96 40.73 54.11 3.02 40.35 2 0 1000.00 -999 ? >ARG.A 18 47.85 0.81 37.78 48.16 1.84 34.95 48.01 1.32 36.37 2 0 1000.00 -999 ? >LYS.A 19 48.40 1.71 44.97 52.34 -1.05 49.06 50.37 0.33 47.01 2 0 1000.00 -999 ? >VAL.A 20 45.58 4.22 45.44 45.72 6.13 46.54 45.65 5.18 45.99 3 0 1000.00 -999 ? >ARG~A 21 39.87 1.28 45.56 37.16 2.30 46.63 38.51 1.79 46.09 2 0 1000.00 -999 ? >LYS~A 22 41.59 5.79 40.57 39.81 6.49 34.48 40.70 6.14 37.52 2 0 1000.00 -999 ? >ASP~A 23 36.85 5.54 41.70 37.11 3.94 43.17 36.98 4.74 42.44 2 0 1000.00 -999 ? >LYS~A 24 39.19 7.75 45.05 39.76 3.62 49.94 39.47 5.69 47.50 2 0 1000.00 -999 ? >ILE~A 25 42.89 9.80 42.65 44.22 9.69 42.33 43.55 9.75 42.49 3 0 1000.00 -999 ? >GLU~A 26 37.70 11.27 38.92 36.67 10.11 37.46 37.18 10.69 38.19 2 0 1000.00 -999 ? >LYS~A 27 36.46 11.86 43.96 33.29 10.55 49.19 34.88 11.21 46.58 2 0 1000.00 -999 ? >TRP~A 28 39.29 12.14 48.63 42.23 9.56 48.60 40.76 10.85 48.61 3 0 1000.00 -999 ? >ALA~A 29 39.81 16.03 43.23 40.51 15.60 41.96 40.16 15.81 42.59 2 0 1000.00 -999 ? >GLU~A 30 35.48 15.02 40.45 34.11 13.57 39.75 34.80 14.29 40.10 2 0 1000.00 -999 ? >LEU~A 31 35.37 16.41 47.18 33.82 15.02 47.81 34.59 15.72 47.49 3 0 1000.00 -999 ? >ALA~A 32 38.17 19.82 46.24 39.65 19.50 46.00 38.91 19.66 46.12 2 0 1000.00 -999 ? >LEU~A 33 37.07 21.09 41.61 38.88 21.06 40.26 37.98 21.07 40.94 3 0 1000.00 -999 ? >SER~A 34 33.54 21.77 44.40 31.35 20.99 45.19 32.45 21.38 44.79 2 0 1000.00 -999 ? >ALA~A 35 34.65 23.08 47.81 35.58 22.39 48.79 35.12 22.73 48.30 2 0 1000.00 -999 ? >LEU~A 36 37.81 25.48 45.15 39.82 25.28 45.99 38.82 25.38 45.57 3 0 1000.00 -999 ? >GLY.A 37 33.29 26.73 44.01 33.93 26.41 43.64 33.61 26.57 43.83 1 0 1000.00 -999 ? >LEU.A 38 36.17 25.40 40.37 37.99 26.57 40.47 37.08 25.99 40.42 3 0 1000.00 -999 ? >ASN.A 39 31.17 25.73 37.72 30.24 25.85 39.68 30.71 25.79 38.70 2 0 1000.00 -999 ? >ASN.A 40 32.71 25.05 33.40 31.52 24.40 31.85 32.11 24.72 32.63 2 0 1000.00 -999 ? >VAL^A 41 37.10 23.54 34.57 37.53 24.51 36.50 37.31 24.03 35.53 3 0 1000.00 -999 ? >GLU^A 42 40.54 19.20 31.84 41.16 19.15 29.82 40.85 19.18 30.83 2 0 1000.00 -999 ? >LEU^A 43 41.58 19.30 37.46 42.88 19.30 39.19 42.23 19.30 38.32 3 0 1000.00 -999 ? >SER^A 44 44.50 16.53 35.29 44.51 16.63 32.87 44.50 16.58 34.08 2 0 1000.00 -999 ? >VAL^A 45 45.99 14.47 38.12 45.11 14.48 40.10 45.55 14.47 39.11 3 0 1000.00 -999 ? >TYR^A 46 50.92 11.64 35.75 52.57 9.79 34.46 51.75 10.71 35.11 3 0 1000.00 -999 ? >ILE^A 47 49.46 8.71 40.79 49.34 9.37 42.07 49.40 9.04 41.43 3 0 1000.00 -999 ? >THR^A 48 53.82 8.66 38.94 55.16 9.91 37.69 54.49 9.29 38.31 2 0 1000.00 -999 ? >ASP~A 49 57.88 6.41 39.82 58.80 6.69 37.86 58.34 6.55 38.84 2 0 1000.00 -999 ? >ASP~A 50 61.30 8.90 42.75 60.64 9.56 44.69 60.97 9.23 43.72 2 0 1000.00 -999 ? >GLN~A 51 63.90 7.20 38.31 64.52 5.25 37.66 64.21 6.23 37.99 2 0 1000.00 -999 ? >GLU~A 52 57.43 11.38 35.10 55.95 10.54 33.86 56.69 10.96 34.48 2 0 1000.00 -999 ? >ILE~A 53 58.20 13.53 40.24 57.73 13.95 41.42 57.97 13.74 40.83 3 0 1000.00 -999 ? >ARG~A 54 66.18 12.63 39.48 69.14 12.28 40.07 67.66 12.46 39.78 2 0 1000.00 -999 ? >GLU~A 55 63.19 12.66 33.90 62.28 11.40 32.45 62.74 12.03 33.18 2 0 1000.00 -999 ? >LEU~A 56 58.51 16.85 36.16 56.94 16.06 34.86 57.73 16.46 35.51 3 0 1000.00 -999 ? >ASN~A 57 61.91 18.32 39.92 61.80 19.52 41.70 61.85 18.92 40.81 2 0 1000.00 -999 ? >LYS~A 58 64.71 19.42 36.64 70.10 17.08 34.10 67.40 18.25 35.37 2 0 1000.00 -999 ? >THR~A 59 63.04 20.62 33.47 62.28 19.64 31.66 62.66 20.13 32.56 2 0 1000.00 -999 ? >TYR~A 60 58.51 21.93 33.85 57.59 21.02 31.38 58.05 21.48 32.62 3 0 1000.00 -999 ? >ARG~A 61 59.16 23.69 40.85 56.56 23.19 42.40 57.86 23.44 41.62 2 0 1000.00 -999 ? >LYS~A 62 65.71 23.56 37.68 67.19 28.43 34.00 66.45 25.99 35.84 2 0 1000.00 -999 ? >LYS.A 63 65.89 21.25 40.70 62.93 25.03 44.91 64.41 23.14 42.80 2 0 1000.00 -999 ? >ASP.A 64 68.88 17.78 39.26 69.19 15.86 38.34 69.03 16.82 38.80 2 0 1000.00 -999 ? >LYS.A 65 65.80 15.78 42.54 66.84 20.40 46.64 66.32 18.09 44.59 2 0 1000.00 -999 ? >PRO.A 66 63.99 12.17 43.79 63.22 14.19 43.19 63.60 13.18 43.49 3 0 1000.00 -999 ? >THR.A 67 59.72 15.74 45.15 58.83 17.67 44.64 59.28 16.70 44.90 2 0 1000.00 -999 ? >ASP.A 68 55.66 15.20 47.78 55.80 17.27 48.44 55.73 16.24 48.11 2 0 1000.00 -999 ? >VAL^A 69 54.01 17.13 44.13 52.24 18.22 45.01 53.12 17.68 44.57 3 0 1000.00 -999 ? >LEU^A 70 55.43 19.32 40.23 57.60 19.55 40.53 56.51 19.43 40.38 3 0 1000.00 -999 ? >SER^A 71 51.62 21.74 39.73 51.50 23.82 40.84 51.56 22.78 40.28 2 0 1000.00 -999 ? >PHE^A 72 53.26 21.16 35.55 55.42 19.66 36.47 54.34 20.41 36.01 3 0 1000.00 -999 ? >PRO^A 73 50.89 27.32 35.77 49.74 25.43 35.39 50.32 26.37 35.58 3 0 1000.00 -999 ? >MET.A 74 47.77 25.80 31.61 49.23 23.25 30.02 48.50 24.53 30.81 2 0 1000.00 -999 ? >GLY.A 75 44.81 28.16 31.53 44.83 27.71 30.90 44.82 27.94 31.22 1 0 1000.00 -999 ? >GLU.A 76 43.49 27.43 25.48 44.52 26.51 23.87 44.00 26.97 24.68 2 0 1000.00 -999 ? >GLU^A 77 39.72 30.50 29.44 39.15 32.52 29.87 39.43 31.51 29.66 2 0 1000.00 -999 ? >PHE^A 78 38.77 25.52 24.24 41.33 24.95 23.35 40.05 25.23 23.79 3 0 1000.00 -999 ? >GLY.A 79 34.04 29.34 25.35 34.48 28.97 25.90 34.26 29.16 25.62 1 0 1000.00 -999 ? >GLY.A 80 33.72 29.24 29.10 34.26 28.78 28.80 33.99 29.01 28.95 1 0 1000.00 -999 ? >TYR^A 81 35.99 23.41 29.08 37.10 20.93 29.74 36.54 22.17 29.41 3 0 1000.00 -999 ? >LYS^A 82 38.81 26.53 31.25 41.97 30.98 32.10 40.39 28.76 31.67 2 0 1000.00 -999 ? >ILE^A 83 42.58 23.67 30.35 42.80 23.04 29.31 42.69 23.35 29.83 3 0 1000.00 -999 ? >LEU^A 84 42.76 24.22 36.31 41.20 25.18 37.42 41.98 24.70 36.86 3 0 1000.00 -999 ? >GLY^A 85 46.27 22.43 34.40 45.70 22.02 34.84 45.99 22.23 34.62 1 0 1000.00 -999 ? >ASP^A 86 49.17 18.83 35.05 48.63 18.75 32.99 48.90 18.79 34.02 2 0 1000.00 -999 ? >VAL^A 87 48.96 18.14 39.35 47.97 18.50 41.23 48.46 18.32 40.29 3 0 1000.00 -999 ? >VAL^A 88 51.67 15.47 39.35 53.00 15.28 37.60 52.34 15.38 38.47 3 0 1000.00 -999 ? >ILE^A 89 51.11 13.06 43.28 50.21 13.20 44.35 50.66 13.13 43.82 3 0 1000.00 -999 ? >SER^A 90 55.07 10.82 43.13 57.22 9.81 43.54 56.15 10.32 43.33 2 0 1000.00 -999 ? >GLN~A 91 52.76 5.46 45.20 51.99 3.72 44.23 52.37 4.59 44.71 2 0 1000.00 -999 ? >ASP~A 92 58.55 6.95 44.98 58.55 5.43 43.46 58.55 6.19 44.22 2 0 1000.00 -999 ? >THR~A 93 57.82 10.12 47.76 58.85 12.00 47.40 58.33 11.06 47.58 2 0 1000.00 -999 ? >ALA~A 94 54.25 10.13 49.08 52.98 9.98 48.21 53.62 10.05 48.64 2 0 1000.00 -999 ? >GLU~A 95 54.13 4.73 49.13 54.80 2.93 48.24 54.47 3.83 48.68 2 0 1000.00 -999 ? >ARG~A 96 61.46 7.81 50.54 61.62 8.21 47.50 61.54 8.01 49.02 2 0 1000.00 -999 ? >GLN~A 97 56.95 13.02 52.36 56.47 14.64 51.02 56.71 13.83 51.69 2 0 1000.00 -999 ? >ALA~A 98 53.30 9.03 54.88 52.42 8.08 54.01 52.86 8.56 54.44 2 0 1000.00 -999 ? >ARG~A 99 58.81 4.23 56.45 60.42 4.81 53.89 59.62 4.52 55.17 2 0 1000.00 -999 ? >GLU~A 100 59.51 10.07 56.72 60.58 11.29 55.33 60.04 10.68 56.03 2 0 1000.00 -999 ? >LEU~A 101 53.53 12.37 58.25 54.16 14.31 57.58 53.84 13.34 57.91 3 0 1000.00 -999 ? >GLY~A 102 52.50 8.52 60.63 52.21 8.92 60.00 52.36 8.72 60.32 1 0 1000.00 -999 ? >HIS.A 103 49.37 10.69 57.22 50.23 12.29 56.16 49.80 11.49 56.69 3 0 1000.00 -999 ? >SER~A 104 48.23 6.30 55.37 45.94 6.80 54.73 47.08 6.55 55.05 2 0 1000.00 -999 ? >LEU~A 105 49.76 5.44 50.84 50.68 5.68 48.89 50.22 5.56 49.87 3 0 1000.00 -999 ? >GLU~A 106 44.44 5.40 50.41 42.53 4.49 50.41 43.48 4.94 50.41 2 0 1000.00 -999 ? >GLU~A 107 45.97 11.54 55.60 44.08 12.55 55.56 45.02 12.05 55.58 2 0 1000.00 -999 ? >GLU~A 108 51.69 11.75 51.57 52.07 13.50 52.74 51.88 12.62 52.15 2 0 1000.00 -999 ? >VAL~A 109 47.95 11.43 48.41 47.99 9.96 46.84 47.97 10.69 47.62 3 0 1000.00 -999 ? >LYS~A 110 44.70 13.20 49.31 41.20 12.70 54.10 42.95 12.95 51.70 2 0 1000.00 -999 ? >ARG~A 111 47.46 15.36 54.85 47.43 14.76 57.90 47.45 15.06 56.38 2 0 1000.00 -999 ? >LEU~A 112 50.01 15.24 47.62 52.04 14.97 48.46 51.02 15.11 48.04 3 0 1000.00 -999 ? >ILE~A 113 44.91 15.70 45.56 44.05 14.81 44.88 44.48 15.25 45.22 3 0 1000.00 -999 ? >VAL~A 114 44.72 19.53 47.71 43.35 19.65 49.42 44.04 19.59 48.56 3 0 1000.00 -999 ? >HIS~A 115 50.55 21.31 48.84 52.11 22.62 49.33 51.33 21.97 49.09 3 0 1000.00 -999 ? >GLY~A 116 48.64 20.82 44.25 47.99 21.13 44.64 48.32 20.97 44.44 1 0 1000.00 -999 ? >ILE~A 117 43.88 21.73 43.80 42.58 21.19 43.44 43.23 21.46 43.62 3 0 1000.00 -999 ? >VAL~A 118 45.79 25.30 45.65 45.49 25.71 47.81 45.64 25.50 46.73 3 0 1000.00 -999 ? >HIS~A 119 51.32 25.01 44.79 52.85 25.26 46.20 52.08 25.14 45.50 3 0 1000.00 -999 ? >LEU~A 120 46.51 24.49 40.12 46.85 23.36 38.33 46.68 23.93 39.23 3 0 1000.00 -999 ? >LEU~A 121 43.89 28.32 42.71 42.10 27.19 42.28 42.99 27.76 42.49 3 0 1000.00 -999 ? >GLY.A 122 47.96 30.73 41.96 47.75 30.37 42.62 47.85 30.55 42.29 1 0 1000.00 -999 ? >TYR.A 123 46.52 30.76 46.69 43.98 31.88 46.61 45.25 31.32 46.65 3 0 1000.00 -999 ? >ASP.A 124 53.45 30.55 45.90 55.29 29.38 45.77 54.37 29.96 45.83 2 0 1000.00 -999 ? >HIS.A 125 53.85 26.89 50.75 54.75 25.18 49.95 54.30 26.03 50.35 3 0 1000.00 -999 ? >GLU.A 126 57.78 27.39 48.51 58.92 26.45 46.99 58.35 26.92 47.75 2 0 1000.00 -999 ? >LYS.A 127 57.20 33.27 49.85 55.65 37.96 47.46 56.43 35.62 48.65 2 0 1000.00 -999 ? >GLY~A 128 56.18 33.08 53.47 55.75 33.53 52.84 55.96 33.31 53.15 1 0 1000.00 -999 ? >GLY~A 129 54.38 36.04 55.03 54.08 35.38 54.74 54.23 35.71 54.89 1 0 1000.00 -999 ? >GLU~A 130 49.05 38.28 52.73 47.84 38.78 54.39 48.45 38.53 53.56 2 0 1000.00 -999 ? >GLU~A 131 51.96 35.86 49.06 53.39 35.99 47.54 52.68 35.92 48.30 2 0 1000.00 -999 ? >GLU~A 132 52.96 30.02 54.89 54.57 30.08 56.27 53.76 30.05 55.58 2 0 1000.00 -999 ? >LYS~A 133 48.91 32.61 55.34 46.06 37.44 58.21 47.49 35.03 56.78 2 0 1000.00 -999 ? >LYS~A 134 46.42 32.70 52.50 42.56 36.03 52.63 44.49 34.37 52.56 2 0 1000.00 -999 ? >PHE~A 135 49.37 27.78 50.02 49.66 25.31 48.74 49.51 26.54 49.38 3 0 1000.00 -999 ? >ARG~A 136 49.89 25.87 54.73 52.20 24.06 53.70 51.05 24.97 54.21 2 0 1000.00 -999 ? >GLU~A 137 44.17 31.13 56.56 43.54 33.12 56.91 43.85 32.13 56.74 2 0 1000.00 -999 ? >LEU~A 138 43.03 28.36 50.33 41.56 28.59 48.80 42.30 28.47 49.57 3 0 1000.00 -999 ? >GLU~A 139 46.29 22.84 52.19 48.40 22.77 52.28 47.34 22.81 52.23 2 0 1000.00 -999 ? >ASN~A 140 43.31 24.78 56.71 45.19 24.25 57.54 44.25 24.51 57.13 2 0 1000.00 -999 ? >TYR~A 141 37.59 26.32 53.21 34.93 26.47 52.35 36.26 26.40 52.78 3 0 1000.00 -999 ? >VAL~A 142 39.46 22.42 51.50 40.07 22.48 49.43 39.77 22.45 50.47 3 0 1000.00 -999 ? >LEU~A 143 42.13 19.71 54.56 44.11 19.09 53.86 43.12 19.40 54.21 3 0 1000.00 -999 ? >SER~A 144 38.05 20.39 56.25 37.16 22.65 56.16 37.61 21.52 56.20 2 0 1000.00 -999 ? >LYS~A 145 35.52 19.94 53.43 31.71 23.67 54.10 33.62 21.81 53.77 2 0 1000.00 -999 ? >LEU~A 146 38.33 16.44 51.66 38.69 17.21 49.64 38.51 16.82 50.65 3 0 1000.00 -999 ? >SER~A 147 37.07 15.44 56.10 36.65 17.07 57.84 36.86 16.25 56.97 2 0 1000.00 -999 ? >LYS~A 148 33.43 16.34 56.63 33.38 22.33 59.00 33.41 19.33 57.82 2 0 1000.00 -999 ?