REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 01-OCT-07 2RFR COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; SOURCE 3 ORGANISM_TAXID: 279238; SOURCE 4 STRAIN: DSM 12444; SOURCE 5 GENE: YP_001166107.1, SARO_3722; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 76 8 >GLY.A 0 20.87 12.81 26.38 21.05 13.46 26.94 20.96 13.13 26.66 1 0 1000.00 -999 ? >MET?A 1 22.58 11.47 29.48 22.83 10.98 32.87 22.70 11.23 31.17 2 0 1000.00 -999 ? >ASP.A 2 27.05 11.20 29.43 27.10 10.04 31.18 27.07 10.62 30.31 2 0 1000.00 -999 ? >ASP~A 3 24.83 15.20 25.64 23.08 16.19 26.23 23.96 15.70 25.94 2 0 1000.00 -999 ? >LEU~A 4 28.02 19.35 25.97 29.70 20.68 26.02 28.86 20.02 25.99 3 0 1000.00 -999 ? >THR~A 5 24.23 20.18 28.21 22.58 21.05 27.12 23.41 20.61 27.66 2 0 1000.00 -999 ? >ASN~A 6 23.34 15.91 30.33 23.03 14.60 32.02 23.19 15.25 31.17 2 0 1000.00 -999 ? >LEU~A 7 28.39 17.34 31.46 29.17 15.33 31.20 28.78 16.33 31.33 3 0 1000.00 -999 ? >ALA~A 8 26.72 21.35 32.54 26.50 22.41 31.42 26.61 21.88 31.98 2 0 1000.00 -999 ? >ALA~A 9 23.42 20.99 34.46 22.13 20.38 33.92 22.77 20.68 34.19 2 0 1000.00 -999 ? >ARG~A 10 24.43 14.86 34.99 26.43 12.59 34.63 25.43 13.72 34.81 2 0 1000.00 -999 ? >LEU~A 11 28.99 20.71 36.32 31.00 21.25 36.70 30.00 20.98 36.51 3 0 1000.00 -999 ? >ARG~A 12 23.58 26.08 36.90 21.39 28.07 37.64 22.49 27.07 37.27 2 0 1000.00 -999 ? >LEU~A 13 23.10 20.18 40.72 20.96 20.21 40.43 22.03 20.20 40.57 3 0 1000.00 -999 ? >LEU~A 14 28.39 19.29 41.85 28.59 17.19 42.08 28.49 18.24 41.97 3 0 1000.00 -999 ? >GLU~A 15 29.95 24.14 40.34 30.08 25.13 38.44 30.01 24.64 39.39 2 0 1000.00 -999 ? >ASP~A 16 23.91 24.65 43.52 23.33 25.71 41.83 23.62 25.18 42.67 2 0 1000.00 -999 ? >ARG~A 17 24.14 18.92 45.81 23.08 17.75 48.42 23.61 18.34 47.11 2 0 1000.00 -999 ? >GLU~A 18 31.76 23.37 46.81 32.77 21.62 46.95 32.26 22.49 46.88 2 0 1000.00 -999 ? >GLU~A 19 28.61 28.94 46.05 27.59 30.03 44.58 28.10 29.49 45.31 2 0 1000.00 -999 ? >ILE~A 20 24.53 25.66 49.83 23.19 25.51 49.63 23.86 25.59 49.73 3 0 1000.00 -999 ? >ARG~A 21 28.04 20.35 51.60 25.86 18.35 50.84 26.95 19.35 51.22 2 0 1000.00 -999 ? >GLU~A 22 32.61 28.17 50.87 34.45 27.60 51.77 33.53 27.89 51.32 2 0 1000.00 -999 ? >LEU~A 23 27.01 29.85 52.86 26.39 31.39 51.47 26.70 30.62 52.17 3 0 1000.00 -999 ? >ILE~A 24 26.70 26.01 56.28 25.54 25.19 56.52 26.12 25.60 56.40 3 0 1000.00 -999 ? >ALA~A 25 31.20 26.36 56.97 32.03 25.52 56.05 31.62 25.94 56.51 2 0 1000.00 -999 ? >TYR~A 27 27.63 31.15 61.08 26.61 32.61 63.23 27.12 31.88 62.15 3 0 1000.00 -999 ? >GLY~A 28 31.58 29.71 62.67 31.94 30.14 62.05 31.76 29.92 62.36 1 0 1000.00 -999 ? >PRO~A 29 35.23 29.06 60.32 34.45 30.62 61.70 34.84 29.84 61.01 3 0 1000.00 -999 ? >LEU~A 30 32.65 34.82 59.86 33.13 35.25 57.80 32.89 35.03 58.83 3 0 1000.00 -999 ? >ALA~A 31 31.68 34.47 64.28 30.56 33.49 64.67 31.12 33.98 64.48 2 0 1000.00 -999 ? >ASP~A 32 35.13 31.83 66.28 33.70 30.50 67.04 34.41 31.16 66.66 2 0 1000.00 -999 ? >SER~A 33 36.97 35.90 64.78 36.75 35.85 62.35 36.86 35.87 63.57 2 0 1000.00 -999 ? >GLY.A 34 34.41 38.65 65.28 34.63 38.40 64.58 34.52 38.53 64.93 1 0 1000.00 -999 ? >ASP~A 35 34.76 38.71 60.53 35.00 39.89 58.71 34.88 39.30 59.62 2 0 1000.00 -999 ? >ALA~A 36 30.55 40.83 61.98 30.17 41.95 62.95 30.36 41.39 62.47 2 0 1000.00 -999 ? >GLU~A 37 30.92 44.10 56.68 32.29 45.56 56.14 31.61 44.83 56.41 2 0 1000.00 -999 ? >ALA~A 38 31.41 39.45 56.59 32.83 38.90 56.47 32.12 39.17 56.53 2 0 1000.00 -999 ? >LEU~A 39 29.31 36.95 60.16 27.96 35.99 61.58 28.63 36.47 60.87 3 0 1000.00 -999 ? >SER~A 40 26.18 39.32 57.95 26.68 41.72 57.66 26.43 40.52 57.81 2 0 1000.00 -999 ? >GLU~A 41 28.20 41.45 53.90 29.98 42.50 53.55 29.09 41.98 53.73 2 0 1000.00 -999 ? >LEU.A 42 26.71 34.47 55.30 28.61 33.55 55.80 27.66 34.01 55.55 3 0 1000.00 -999 ? >TRP^A 43 20.46 35.45 56.64 23.34 34.36 59.11 21.90 34.90 57.87 3 0 1000.00 -999 ? >VAL^A 44 20.67 38.56 51.69 18.97 37.34 51.03 19.82 37.95 51.36 3 0 1000.00 -999 ? >GLU^A 45 21.47 43.64 51.04 21.77 45.45 50.00 21.62 44.55 50.52 2 0 1000.00 -999 ? >ASP^A 46 15.62 41.97 53.87 14.94 40.77 52.31 15.28 41.37 53.09 2 0 1000.00 -999 ? >GLY^A 47 17.95 38.10 55.82 17.77 38.76 56.26 17.86 38.43 56.04 1 0 1000.00 -999 ? >GLU^A 48 14.51 37.63 58.74 12.49 37.15 59.02 13.50 37.39 58.88 2 0 1000.00 -999 ? >TYR^A 49 20.56 34.07 63.15 22.07 32.14 64.55 21.31 33.10 63.85 3 0 1000.00 -999 ? >ALA^A 50 15.77 33.49 64.51 14.40 33.16 63.92 15.08 33.32 64.22 2 0 1000.00 -999 ? >VAL^A 51 16.49 31.65 67.75 18.55 31.48 68.46 17.52 31.57 68.11 3 0 1000.00 -999 ? >VAL.A 52 13.69 30.38 70.00 12.51 28.57 70.23 13.10 29.48 70.12 3 0 1000.00 -999 ? >GLY.A 53 13.23 32.82 72.88 13.60 33.04 72.20 13.42 32.93 72.54 1 0 1000.00 -999 ? >PHE.A 54 17.60 34.62 71.59 19.37 33.40 73.38 18.49 34.01 72.49 3 0 1000.00 -999 ? >ALA.A 55 14.40 38.65 69.27 14.89 40.09 69.59 14.65 39.37 69.43 2 0 1000.00 -999 ? >THR.A 56 14.82 37.85 65.59 13.58 36.88 64.19 14.20 37.36 64.89 2 0 1000.00 -999 ? >ALA^A 57 17.69 39.64 63.89 19.15 39.21 64.00 18.42 39.43 63.94 2 0 1000.00 -999 ? >LYS.A 58 16.33 41.00 60.61 12.92 40.04 56.57 14.62 40.52 58.59 2 0 1000.00 -999 ? >GLY~A 59 18.61 42.57 58.08 18.91 42.08 58.67 18.76 42.33 58.38 1 0 1000.00 -999 ? >ARG~A 60 23.98 42.29 54.28 24.63 41.56 51.45 24.31 41.93 52.86 2 0 1000.00 -999 ? >ALA~A 61 22.90 45.38 60.32 22.31 46.83 60.33 22.60 46.10 60.32 2 0 1000.00 -999 ? >ALA~A 62 20.98 43.44 62.99 19.49 43.19 63.00 20.23 43.31 62.99 2 0 1000.00 -999 ? >ILE~A 63 22.74 39.39 60.90 22.42 38.23 60.11 22.58 38.81 60.50 3 0 1000.00 -999 ? >ALA~A 64 26.20 42.02 62.40 26.69 43.14 61.49 26.44 42.58 61.95 2 0 1000.00 -999 ? >ALA~A 65 25.06 43.57 65.69 23.82 44.42 65.89 24.44 43.99 65.79 2 0 1000.00 -999 ? >LEU~A 66 24.13 38.77 66.56 22.08 38.20 66.51 23.11 38.48 66.53 3 0 1000.00 -999 ? >ILE~A 67 29.09 39.21 65.22 29.41 37.83 65.33 29.25 38.52 65.27 3 0 1000.00 -999 ? >ASP~A 68 29.16 44.26 66.93 30.34 44.41 65.16 29.75 44.33 66.05 2 0 1000.00 -999 ? >GLY~A 69 27.20 42.63 70.79 27.93 42.32 70.75 27.56 42.47 70.77 1 0 1000.00 -999 ? >GLN~A 70 27.67 44.30 75.98 26.05 44.93 77.29 26.86 44.62 76.63 2 0 1000.00 -999 ? >THR~A 71 27.41 38.85 74.98 25.24 38.61 75.09 26.33 38.73 75.03 2 0 1000.00 -999 ? >HIS~A 72 29.52 36.87 69.49 30.67 35.59 68.32 30.09 36.23 68.90 3 0 1000.00 -999 ? >ARG~A 73 33.15 41.38 70.23 33.95 41.57 67.28 33.55 41.48 68.76 2 0 1000.00 -999 ? >ALA~A 74 32.23 38.15 76.15 31.12 38.37 77.24 31.68 38.26 76.70 2 0 1000.00 -999 ? >LEU~A 75 30.92 33.88 73.94 29.39 32.43 74.50 30.16 33.16 74.22 3 0 1000.00 -999 ? >MET?A 76 34.91 35.36 72.45 34.06 37.81 69.02 34.49 36.58 70.74 2 0 1000.00 -999 ? >ALA~A 77 36.93 36.63 75.45 36.58 37.87 76.29 36.75 37.25 75.87 2 0 1000.00 -999 ? >ASP~A 78 34.78 32.80 77.67 33.63 33.74 79.12 34.20 33.27 78.39 2 0 1000.00 -999 ? >GLY~A 79 37.10 31.36 74.31 36.30 31.47 74.57 36.70 31.42 74.44 1 0 1000.00 -999 ? >CYH^A 80 34.45 29.89 72.09 33.24 32.24 71.06 33.84 31.06 71.58 2 0 1000.00 -999 ? >ALA^A 81 33.92 27.75 69.04 34.66 26.40 68.95 34.29 27.07 68.99 2 0 1000.00 -999 ? >HIS^A 82 29.79 30.17 67.44 29.37 31.45 69.06 29.58 30.81 68.25 3 0 1000.00 -999 ? >PHE^A 83 32.27 22.25 66.29 33.59 19.94 65.52 32.93 21.10 65.90 3 0 1000.00 -999 ? >LEU^A 84 28.03 24.64 61.85 27.26 26.65 62.34 27.65 25.64 62.09 3 0 1000.00 -999 ? >GLY.A 85 28.40 20.04 61.69 28.09 20.67 61.25 28.24 20.36 61.47 1 0 1000.00 -999 ? >PRO.A 86 29.50 16.96 58.92 28.21 18.81 58.87 28.85 17.88 58.90 3 0 1000.00 -999 ? >ALA.A 87 24.77 19.79 56.61 24.65 21.23 56.07 24.71 20.51 56.34 2 0 1000.00 -999 ? >THR^A 88 22.17 17.97 54.58 20.21 17.11 54.99 21.19 17.54 54.79 2 0 1000.00 -999 ? >VAL^A 89 21.34 20.16 51.59 22.87 21.62 50.95 22.10 20.89 51.27 3 0 1000.00 -999 ? >THR^A 90 18.38 20.12 49.19 16.59 18.99 49.48 17.48 19.55 49.34 2 0 1000.00 -999 ? >VAL^A 91 18.44 22.39 46.14 20.23 23.14 45.14 19.34 22.77 45.64 3 0 1000.00 -999 ? >GLY.A 93 15.91 25.52 41.39 16.34 25.48 42.07 16.12 25.50 41.73 1 0 1000.00 -999 ? >ASP.A 94 16.54 30.15 42.03 16.91 30.11 39.97 16.72 30.13 41.00 2 0 1000.00 -999 ? >THR^A 95 16.25 28.04 46.42 14.12 28.33 46.50 15.18 28.18 46.46 2 0 1000.00 -999 ? >ALA^A 96 17.68 25.56 48.87 19.21 25.46 48.67 18.44 25.51 48.77 2 0 1000.00 -999 ? >THR^A 97 17.28 24.25 52.41 15.24 23.92 53.15 16.26 24.08 52.78 2 0 1000.00 -999 ? >ALA^A 98 19.91 22.83 54.77 21.30 23.47 54.71 20.60 23.15 54.74 2 0 1000.00 -999 ? >ARG^A 99 16.33 19.45 57.93 16.53 16.80 56.25 16.43 18.13 57.09 2 0 1000.00 -999 ? >CYH^A 100 22.67 20.78 60.58 23.94 23.32 60.46 23.31 22.05 60.52 2 0 1000.00 -999 ? >HIS^A 101 23.16 18.23 64.83 21.99 16.51 64.58 22.57 17.37 64.70 3 0 1000.00 -999 ? >SER^A 102 25.60 23.33 66.01 24.08 25.25 66.25 24.84 24.29 66.13 2 0 1000.00 -999 ? >VAL^A 103 27.52 23.24 69.24 28.13 21.36 70.19 27.82 22.30 69.71 3 0 1000.00 -999 ? >VAL^A 104 28.88 26.27 70.99 28.12 28.31 71.11 28.50 27.29 71.05 3 0 1000.00 -999 ? >PHE^A 105 32.82 23.10 71.78 32.15 20.61 70.73 32.49 21.86 71.26 3 0 1000.00 -999 ? >ARG^A 106 30.88 29.73 78.13 30.32 31.22 80.75 30.60 30.47 79.44 2 0 1000.00 -999 ? >CYH^A 107 36.13 27.69 77.84 38.86 27.87 78.41 37.49 27.78 78.12 2 0 1000.00 -999 ? >VAL^A 108 35.27 28.13 81.53 33.17 28.29 82.19 34.22 28.21 81.86 3 0 1000.00 -999 ? >SER.A 109 37.92 28.12 84.22 36.37 28.55 86.00 37.14 28.33 85.11 2 0 1000.00 -999 ? >GLY.A 110 40.53 26.61 81.87 39.79 26.32 81.92 40.16 26.46 81.90 1 0 1000.00 -999 ? >THR^A 111 38.41 23.67 80.74 38.03 22.67 82.57 38.22 23.17 81.65 2 0 1000.00 -999 ? >PHE^A 112 38.06 23.52 76.17 40.40 24.88 75.73 39.23 24.20 75.95 3 0 1000.00 -999 ? >GLY^A 113 32.38 22.44 77.68 32.60 22.96 77.05 32.49 22.70 77.37 1 0 1000.00 -999 ? >SER^A 114 29.36 22.45 75.39 28.48 20.10 75.65 28.92 21.28 75.52 2 0 1000.00 -999 ? >HIS^A 115 27.39 28.34 76.00 26.42 30.14 76.40 26.90 29.24 76.20 3 0 1000.00 -999 ? >ARG^A 116 22.98 28.66 72.99 20.02 29.57 73.65 21.50 29.11 73.32 2 0 1000.00 -999 ? >VAL^A 117 23.74 22.18 71.47 24.38 20.14 71.89 24.06 21.16 71.68 3 0 1000.00 -999 ? >SER^A 118 21.23 23.11 68.78 21.61 25.33 69.75 21.42 24.22 69.26 2 0 1000.00 -999 ? >ALA^A 119 19.34 22.22 65.66 17.94 21.63 65.70 18.64 21.93 65.68 2 0 1000.00 -999 ? >ASN^A 120 20.99 24.83 62.15 22.32 25.75 63.57 21.66 25.29 62.86 2 0 1000.00 -999 ? >ARG^A 121 13.84 24.40 58.22 12.29 21.81 57.80 13.06 23.11 58.01 2 0 1000.00 -999 ? >TRP^A 122 21.50 26.25 58.53 23.78 29.43 58.47 22.64 27.84 58.50 3 0 1000.00 -999 ? >THR^A 123 17.13 28.55 53.69 15.19 29.20 54.26 16.16 28.88 53.98 2 0 1000.00 -999 ? >PHE^A 124 21.02 28.62 51.60 22.30 27.64 53.86 21.66 28.13 52.73 3 0 1000.00 -999 ? >ARG^A 125 16.46 34.79 47.13 15.94 37.26 48.90 16.20 36.02 48.02 2 0 1000.00 -999 ? >ARG^A 126 21.04 30.90 40.65 21.71 27.88 40.89 21.37 29.39 40.77 2 0 1000.00 -999 ? >THR^A 127 21.37 35.81 43.85 22.21 36.47 45.77 21.79 36.14 44.81 2 0 1000.00 -999 ? >PRO.A 128 21.49 39.01 40.87 22.81 37.33 41.58 22.15 38.17 41.23 3 0 1000.00 -999 ? >ALA.A 129 26.38 37.44 43.32 26.55 38.48 44.36 26.46 37.96 43.84 2 0 1000.00 -999 ? >GLY^A 130 25.94 33.76 44.34 25.32 34.25 44.56 25.63 34.00 44.45 1 0 1000.00 -999 ? >TRP^A 131 24.40 28.89 45.01 20.63 27.91 45.44 22.51 28.40 45.22 3 0 1000.00 -999 ? >ARG^A 132 25.16 36.08 49.87 27.40 36.19 47.76 26.28 36.13 48.81 2 0 1000.00 -999 ? >ALA^A 133 21.24 32.71 53.23 21.87 32.62 54.66 21.56 32.67 53.94 2 0 1000.00 -999 ? >VAL^A 134 17.64 33.92 53.56 16.10 33.85 52.03 16.87 33.89 52.80 3 0 1000.00 -999 ? >ARG^A 135 13.05 32.41 58.53 11.95 33.58 61.23 12.50 32.99 59.88 2 0 1000.00 -999 ? >ARG^A 136 21.84 30.20 61.38 24.17 29.32 63.10 23.00 29.76 62.24 2 0 1000.00 -999 ? >GLU^A 137 14.05 29.55 61.50 12.34 28.68 60.71 13.20 29.11 61.10 2 0 1000.00 -999 ? >ASN^A 138 19.27 28.21 66.20 20.93 28.36 64.88 20.10 28.29 65.54 2 0 1000.00 -999 ? >ALA^A 139 16.66 25.94 68.80 15.26 25.40 68.59 15.96 25.67 68.70 2 0 1000.00 -999 ? >LEU^A 140 18.26 24.46 73.13 19.59 25.87 74.07 18.93 25.17 73.60 3 0 1000.00 -999 ? >LEU.A 141 19.20 19.39 70.77 18.83 18.86 68.68 19.02 19.13 69.73 3 0 1000.00 -999 ? >ASP.A 142 17.27 21.64 75.96 15.75 22.99 75.39 16.51 22.31 75.68 2 0 1000.00 -999 ? >GLY.A 143 13.95 18.39 74.72 14.08 19.12 74.34 14.01 18.75 74.53 1 0 1000.00 -999 ? >SER~A 144 12.23 21.38 73.03 13.70 22.81 71.67 12.97 22.09 72.35 2 0 1000.00 -999 ? >ALA~A 145 9.81 20.57 70.29 8.29 20.78 70.36 9.05 20.67 70.32 2 0 1000.00 -999 ? >ALA~A 146 11.15 23.28 67.98 11.35 24.77 68.34 11.25 24.03 68.16 2 0 1000.00 -999 ? >ALA~A 147 14.61 21.76 67.71 15.60 21.50 68.85 15.10 21.63 68.28 2 0 1000.00 -999 ? >ARG~A 148 12.30 15.71 69.15 10.81 16.99 71.53 11.56 16.35 70.34 2 0 1000.00 -999 ? >ALA~A 149 11.00 20.17 64.02 9.81 21.14 64.36 10.40 20.66 64.19 2 0 1000.00 -999 ? >LEU~A 150 14.89 22.99 63.33 14.53 25.08 63.77 14.71 24.04 63.55 3 0 1000.00 -999 ? >LEU~A 151 16.33 17.93 62.83 18.23 18.51 63.77 17.28 18.22 63.30 3 0 1000.00 -999 ? >GLN~A 152 10.49 17.91 60.54 8.64 17.99 61.62 9.57 17.95 61.08 2 0 1000.00 -999 ?