REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 02-AUG-07 2QTP COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; SOURCE 3 ORGANISM_TAXID: 246200; SOURCE 4 STRAIN: DSS-3, DSM 15171; SOURCE 5 ATCC: 700808; SOURCE 6 GENE: YP_166079.1, SPO0826; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 51 8 HET MSE A 84 8 HET MSE A 123 8 HET MSE A 163 8 >ILE^A 4 50.31 25.56 21.84 49.96 26.21 20.62 50.13 25.88 21.23 3 0 1000.00 -999 ? >ARG^A 5 57.48 23.44 25.78 60.00 23.46 24.01 58.74 23.45 24.89 2 0 1000.00 -999 ? >LYS^A 6 55.64 27.46 21.74 61.94 27.82 21.50 58.79 27.64 21.62 2 0 1000.00 -999 ? >ILE^A 7 53.13 29.93 18.45 51.77 30.11 17.92 52.45 30.02 18.19 3 0 1000.00 -999 ? >ALA^A 8 56.99 30.61 16.11 58.29 29.84 16.12 57.64 30.22 16.11 2 0 1000.00 -999 ? >VAL^A 9 56.57 32.61 12.88 54.63 33.60 12.50 55.60 33.10 12.69 3 0 1000.00 -999 ? >PHE^A 10 60.52 30.86 11.04 61.15 29.08 13.13 60.83 29.97 12.08 3 0 1000.00 -999 ? >ILE^A 11 58.41 36.79 7.41 57.18 37.64 7.19 57.80 37.22 7.30 3 0 1000.00 -999 ? >GLU^A 12 63.44 34.33 3.30 63.64 32.31 2.68 63.54 33.32 2.99 2 0 1000.00 -999 ? >GLU^A 13 60.67 40.36 3.32 60.49 42.46 3.58 60.58 41.41 3.45 2 0 1000.00 -999 ? >THR^A 14 63.95 38.14 -1.19 64.46 36.30 -2.09 64.20 37.22 -1.64 2 0 1000.00 -999 ? >ARG^A 15 65.07 44.05 -0.12 64.54 46.26 1.93 64.80 45.16 0.90 2 0 1000.00 -999 ? >ILE^A 16 69.20 40.62 -4.82 70.30 41.58 -5.11 69.75 41.10 -4.97 3 0 1000.00 -999 ? >GLU^A 17 66.27 34.50 -6.59 64.37 33.78 -5.93 65.32 34.14 -6.26 2 0 1000.00 -999 ? >GLY.A 19 71.58 38.70 -9.44 70.81 38.58 -9.53 71.19 38.64 -9.49 1 0 1000.00 -999 ? >GLU^A 21 67.79 45.08 -7.49 68.40 47.10 -7.93 68.10 46.09 -7.71 2 0 1000.00 -999 ? >ILE^A 22 62.92 40.10 -6.34 62.71 39.19 -7.37 62.82 39.65 -6.86 3 0 1000.00 -999 ? >SER^A 23 60.44 44.28 -6.97 60.32 46.68 -6.84 60.38 45.48 -6.90 2 0 1000.00 -999 ? >PRO^A 24 55.96 43.06 -5.93 58.07 43.84 -5.96 57.01 43.45 -5.95 3 0 1000.00 -999 ? >PRO^A 25 60.77 43.31 -1.78 59.81 41.99 -3.33 60.29 42.65 -2.55 3 0 1000.00 -999 ? >THR^A 26 58.89 37.86 -2.98 59.78 36.83 -4.65 59.33 37.35 -3.82 2 0 1000.00 -999 ? >ARG^A 27 56.83 39.99 1.97 53.88 40.50 2.69 55.36 40.24 2.33 2 0 1000.00 -999 ? >LYS^A 28 57.53 33.29 2.28 61.68 29.56 -0.57 59.60 31.43 0.86 2 0 1000.00 -999 ? >ALA^A 29 56.08 32.77 5.75 54.93 33.70 6.15 55.51 33.23 5.95 2 0 1000.00 -999 ? >VAL^A 30 55.88 29.70 7.95 57.53 28.22 8.26 56.71 28.96 8.11 3 0 1000.00 -999 ? >ALA^A 31 54.09 29.34 11.33 52.64 29.89 11.49 53.36 29.61 11.41 2 0 1000.00 -999 ? >VAL^A 32 55.14 26.50 13.68 57.14 25.69 13.38 56.14 26.09 13.53 3 0 1000.00 -999 ? >ALA^A 33 53.51 25.06 16.87 52.00 24.90 16.93 52.76 24.98 16.90 2 0 1000.00 -999 ? >VAL^A 34 55.14 22.76 19.39 57.27 22.79 19.93 56.20 22.77 19.66 3 0 1000.00 -999 ? >ILE^A 35 51.26 20.27 20.39 50.46 20.05 19.34 50.86 20.16 19.86 3 0 1000.00 -999 ? >GLU^A 36 52.26 16.26 25.70 51.40 16.28 27.66 51.83 16.27 26.68 2 0 1000.00 -999 ? >ASN.A 37 53.14 13.51 21.04 52.58 11.79 19.96 52.86 12.65 20.50 2 0 1000.00 -999 ? >PRO.A 38 47.74 13.12 21.88 49.58 12.99 23.17 48.66 13.06 22.52 3 0 1000.00 -999 ? >PHE.A 39 48.47 9.11 20.67 45.79 9.66 20.23 47.13 9.39 20.45 3 0 1000.00 -999 ? >ALA.A 40 54.11 9.67 23.24 54.81 10.97 23.78 54.46 10.32 23.51 2 0 1000.00 -999 ? >GLY.A 41 55.41 6.42 24.81 54.77 6.47 24.33 55.09 6.45 24.57 1 0 1000.00 -999 ? >ARG.A 42 49.80 6.87 25.61 48.85 6.86 28.56 49.32 6.86 27.09 2 0 1000.00 -999 ? >TYR.A 43 53.14 0.63 20.96 55.93 0.58 20.85 54.53 0.61 20.91 3 0 1000.00 -999 ? >VAL.A 44 47.62 3.31 19.93 47.67 5.26 20.82 47.64 4.29 20.38 3 0 1000.00 -999 ? >GLU.A 45 45.40 0.21 17.28 46.34 -1.01 15.93 45.87 -0.40 16.61 2 0 1000.00 -999 ? >ASP.A 46 41.55 5.16 17.88 40.08 6.69 17.59 40.82 5.92 17.73 2 0 1000.00 -999 ? >LEU~A 47 45.60 8.68 15.19 47.45 7.48 15.32 46.52 8.08 15.25 3 0 1000.00 -999 ? >THR~A 48 41.28 10.75 16.17 39.15 10.26 16.40 40.21 10.51 16.29 2 0 1000.00 -999 ? >GLU~A 49 43.30 13.69 21.28 44.27 13.15 23.09 43.79 13.42 22.18 2 0 1000.00 -999 ? >LEU~A 50 46.86 13.24 16.46 48.75 13.33 17.59 47.81 13.29 17.03 3 0 1000.00 -999 ? >MET?A 51 43.42 14.59 13.64 42.17 11.19 11.31 42.79 12.89 12.48 2 0 1000.00 -999 ? >ASP~A 52 40.20 16.48 16.78 38.65 15.13 16.27 39.42 15.80 16.53 2 0 1000.00 -999 ? >THR~A 53 44.11 18.76 17.04 45.43 18.47 18.76 44.77 18.61 17.90 2 0 1000.00 -999 ? >GLY~A 54 45.63 19.03 13.56 44.90 19.26 13.80 45.27 19.14 13.68 1 0 1000.00 -999 ? >ALA~A 55 42.44 20.58 12.19 41.02 20.01 12.31 41.73 20.29 12.25 2 0 1000.00 -999 ? >GLU~A 56 43.44 22.77 17.31 44.45 24.20 18.63 43.94 23.48 17.97 2 0 1000.00 -999 ? >LEU~A 57 47.48 22.86 14.64 48.60 22.84 16.45 48.04 22.85 15.54 3 0 1000.00 -999 ? >GLY~A 58 46.21 24.14 10.56 45.82 24.58 11.14 46.01 24.36 10.85 1 0 1000.00 -999 ? >ALA~A 59 43.63 26.88 10.84 42.24 26.69 11.46 42.94 26.79 11.15 2 0 1000.00 -999 ? >LEU~A 60 45.94 28.00 14.96 46.81 29.08 16.65 46.38 28.54 15.81 3 0 1000.00 -999 ? >LEU~A 61 49.88 27.17 11.77 51.01 26.25 13.46 50.44 26.71 12.61 3 0 1000.00 -999 ? >GLY~A 62 47.51 29.27 8.41 47.48 29.69 9.13 47.49 29.48 8.77 1 0 1000.00 -999 ? >GLU~A 63 44.65 33.85 11.67 43.68 35.23 10.35 44.17 34.54 11.01 2 0 1000.00 -999 ? >ARG~A 64 49.10 33.57 14.70 51.34 34.24 16.75 50.22 33.90 15.73 2 0 1000.00 -999 ? >CYH~A 65 51.00 33.05 8.14 52.11 30.57 7.59 51.56 31.81 7.87 2 0 1000.00 -999 ? >VAL~A 66 48.59 35.46 6.43 46.64 34.44 6.06 47.61 34.95 6.24 3 0 1000.00 -999 ? >GLN~A 67 46.87 37.59 11.11 46.34 37.03 13.12 46.60 37.31 12.11 2 0 1000.00 -999 ? >ALA~A 68 52.52 37.84 9.19 53.42 36.60 9.37 52.97 37.22 9.28 2 0 1000.00 -999 ? >LEU~A 69 52.23 37.55 4.42 53.53 36.04 3.60 52.88 36.80 4.01 3 0 1000.00 -999 ? >GLY~A 70 49.65 41.11 5.92 49.74 40.50 5.37 49.70 40.81 5.65 1 0 1000.00 -999 ? >ILE.A 71 48.38 38.74 2.02 49.48 37.93 1.52 48.93 38.33 1.77 3 0 1000.00 -999 ? >PRO~A 73 42.79 34.32 4.03 44.08 35.01 2.35 43.43 34.67 3.19 3 0 1000.00 -999 ? >GLN~A 75 45.77 38.97 -1.42 46.60 40.83 -0.72 46.19 39.90 -1.07 2 0 1000.00 -999 ? >ALA~A 76 48.59 33.50 -1.25 48.27 32.53 -0.11 48.43 33.02 -0.68 2 0 1000.00 -999 ? >SER^A 78 51.53 28.56 -2.54 53.45 28.17 -4.00 52.49 28.36 -3.27 2 0 1000.00 -999 ? >TYR^A 79 48.32 27.27 0.43 46.42 29.08 -0.61 47.37 28.17 -0.09 3 0 1000.00 -999 ? >GLY^A 80 52.36 23.56 2.38 52.05 24.11 2.97 52.21 23.83 2.67 1 0 1000.00 -999 ? >LYS^A 81 52.46 21.79 5.71 46.73 19.09 5.58 49.60 20.44 5.64 2 0 1000.00 -999 ? >SER^A 82 54.77 19.40 7.61 56.52 19.67 6.00 55.64 19.54 6.80 2 0 1000.00 -999 ? >ALA^A 83 55.14 17.78 10.98 53.84 17.11 11.46 54.49 17.44 11.22 2 0 1000.00 -999 ? >MET?A 84 58.13 16.41 12.86 62.20 17.68 13.66 60.16 17.05 13.26 2 0 1000.00 -999 ? >VAL.A 85 57.30 13.94 15.62 56.39 11.88 15.70 56.85 12.91 15.66 3 0 1000.00 -999 ? >GLY.A 86 59.70 13.60 18.59 59.26 13.00 18.21 59.48 13.30 18.40 1 0 1000.00 -999 ? >ASN.A 88 58.83 9.02 23.15 60.61 8.75 24.26 59.72 8.88 23.70 2 0 1000.00 -999 ? >GLY.A 89 56.24 9.11 19.04 56.94 8.71 18.86 56.59 8.91 18.95 1 0 1000.00 -999 ? >GLU~A 90 54.32 5.42 17.02 56.06 4.28 17.41 55.19 4.85 17.21 2 0 1000.00 -999 ? >LEU~A 91 56.23 7.91 11.00 57.50 8.95 9.54 56.87 8.43 10.27 3 0 1000.00 -999 ? >GLU~A 92 51.32 5.30 11.58 53.22 4.38 11.92 52.27 4.84 11.75 2 0 1000.00 -999 ? >HIS~A 93 51.84 9.44 16.84 51.88 7.79 18.14 51.86 8.62 17.49 3 0 1000.00 -999 ? >ALA~A 94 52.62 13.09 12.14 54.07 13.11 11.58 53.35 13.10 11.86 2 0 1000.00 -999 ? >ALA~A 95 50.38 11.60 9.44 50.33 10.17 9.02 50.35 10.89 9.23 2 0 1000.00 -999 ? >ALA~A 96 47.35 12.01 11.72 47.16 11.30 13.08 47.25 11.65 12.40 2 0 1000.00 -999 ? >ILE~A 97 49.33 16.06 13.65 50.01 17.13 14.31 49.67 16.59 13.98 3 0 1000.00 -999 ? >LEU~A 98 49.76 16.06 8.12 51.70 17.10 8.30 50.73 16.58 8.21 3 0 1000.00 -999 ? >HIS.A 99 43.60 12.72 7.94 42.06 11.77 6.88 42.83 12.25 7.41 3 0 1000.00 -999 ? >PRO.A 100 43.40 17.73 9.98 43.22 16.74 7.98 43.31 17.24 8.98 3 0 1000.00 -999 ? >LEU.A 102 44.77 24.07 5.11 46.84 24.38 5.69 45.80 24.22 5.40 3 0 1000.00 -999 ? >VAL.A 117 48.62 20.99 -0.69 48.14 22.42 0.92 48.38 21.70 0.11 3 0 1000.00 -999 ? >PRO.A 118 53.06 21.15 -1.23 51.48 19.72 -0.50 52.27 20.43 -0.87 3 0 1000.00 -999 ? >SER^A 119 52.88 17.76 3.08 51.35 15.95 3.44 52.12 16.85 3.26 2 0 1000.00 -999 ? >SER^A 120 55.89 15.93 4.58 57.77 17.42 5.05 56.83 16.67 4.82 2 0 1000.00 -999 ? >LYS^A 121 56.30 14.00 7.82 52.80 9.15 5.98 54.55 11.57 6.90 2 0 1000.00 -999 ? >MET?A 123 60.82 11.85 12.99 59.16 9.04 14.67 59.99 10.45 13.83 2 0 1000.00 -999 ? >GLY^A 124 63.40 14.16 14.62 62.91 13.88 15.22 63.15 14.02 14.92 1 0 1000.00 -999 ? >SER^A 125 64.91 15.59 17.73 67.20 14.98 17.26 66.06 15.28 17.49 2 0 1000.00 -999 ? >PRO^A 126 65.16 18.02 21.35 65.36 18.35 19.14 65.26 18.19 20.24 3 0 1000.00 -999 ? >GLY^A 127 66.96 21.56 16.80 66.57 20.94 16.49 66.76 21.25 16.65 1 0 1000.00 -999 ? >GLN^A 128 67.22 16.96 14.02 66.56 14.97 13.59 66.89 15.96 13.80 2 0 1000.00 -999 ? >VAL^A 129 65.58 21.17 10.47 66.72 22.48 9.12 66.15 21.83 9.80 3 0 1000.00 -999 ? >LEU^A 130 60.86 20.53 9.87 58.92 19.55 9.76 59.89 20.04 9.81 3 0 1000.00 -999 ? >ASP^A 131 62.40 20.38 4.25 63.36 21.61 2.80 62.88 20.99 3.53 2 0 1000.00 -999 ? >VAL^A 132 58.17 22.51 4.62 56.99 23.62 6.04 57.58 23.06 5.33 3 0 1000.00 -999 ? >PRO^A 133 56.02 19.97 1.83 57.24 21.82 1.71 56.63 20.90 1.77 3 0 1000.00 -999 ? >LEU^A 134 56.16 25.99 -1.07 56.21 27.56 0.44 56.18 26.77 -0.32 3 0 1000.00 -999 ? >GLY^A 135 53.11 23.62 -3.85 52.99 24.38 -3.47 53.05 24.00 -3.66 1 0 1000.00 -999 ? >HIS^A 136 53.42 28.00 -7.29 54.64 29.66 -6.85 54.03 28.83 -7.07 3 0 1000.00 -999 ? >PHE^A 146 56.32 20.22 -4.09 54.08 18.74 -4.89 55.20 19.48 -4.49 3 0 1000.00 -999 ? >ASP^A 147 59.63 26.07 -3.91 60.94 27.56 -3.13 60.28 26.82 -3.52 2 0 1000.00 -999 ? >GLY^A 148 60.27 24.88 0.26 60.66 25.52 0.01 60.46 25.20 0.13 1 0 1000.00 -999 ? >ILE^A 149 60.26 27.86 3.82 59.63 28.81 4.59 59.95 28.33 4.20 3 0 1000.00 -999 ? >GLU^A 150 65.15 24.29 4.99 67.21 23.92 4.74 66.18 24.10 4.86 2 0 1000.00 -999 ? >VAL^A 151 62.28 25.71 9.90 60.06 25.46 9.79 61.17 25.59 9.84 3 0 1000.00 -999 ? >ARG^A 152 67.63 24.74 13.60 69.08 25.51 16.17 68.35 25.13 14.88 2 0 1000.00 -999 ? >LEU^A 153 62.16 25.35 17.49 60.49 26.72 17.25 61.32 26.04 17.37 3 0 1000.00 -999 ? >ASN^A 154 67.41 26.02 19.82 66.49 26.79 21.61 66.95 26.40 20.72 2 0 1000.00 -999 ? >ASP^A 155 64.24 23.97 22.97 62.54 25.26 22.67 63.39 24.62 22.82 2 0 1000.00 -999 ? >ALA^A 156 61.85 21.29 19.82 60.65 22.26 19.71 61.25 21.78 19.77 2 0 1000.00 -999 ? >PRO^A 157 60.52 17.52 17.22 60.90 19.10 18.79 60.71 18.31 18.01 3 0 1000.00 -999 ? >ARG^A 158 61.21 19.43 25.70 63.32 21.79 25.80 62.27 20.61 25.75 2 0 1000.00 -999 ? >ALA^A 159 60.82 13.27 22.65 61.62 12.31 23.60 61.22 12.79 23.13 2 0 1000.00 -999 ? >ASN^A 160 56.79 13.58 25.27 57.05 15.49 26.32 56.92 14.54 25.79 2 0 1000.00 -999 ? >GLU^A 161 57.17 18.15 23.00 58.17 20.01 23.23 57.67 19.08 23.11 2 0 1000.00 -999 ? >ILE^A 162 53.86 16.66 17.17 53.06 15.66 16.35 53.46 16.16 16.76 3 0 1000.00 -999 ? >MET?A 163 56.42 20.26 15.79 60.05 22.45 15.16 58.24 21.36 15.48 2 0 1000.00 -999 ? >VAL^A 164 53.80 21.17 13.17 51.78 20.38 13.49 52.79 20.78 13.33 3 0 1000.00 -999 ? >ALA^A 165 54.30 23.79 10.42 55.77 23.83 9.90 55.04 23.81 10.16 2 0 1000.00 -999 ? >VAL^A 166 52.16 25.58 7.80 49.97 25.69 7.85 51.07 25.64 7.82 3 0 1000.00 -999 ? >ALA^A 167 53.79 27.74 5.08 55.09 27.19 4.51 54.44 27.46 4.80 2 0 1000.00 -999 ? >VAL^A 168 52.41 30.21 2.53 50.35 30.94 2.97 51.38 30.58 2.75 3 0 1000.00 -999 ? >THR^A 169 54.17 32.27 -0.15 55.04 30.88 -1.58 54.61 31.58 -0.87 2 0 1000.00 -999 ? >ASP^A 170 52.83 36.64 -0.53 51.94 38.35 -1.34 52.38 37.49 -0.93 2 0 1000.00 -999 ? >SER^A 171 54.16 37.32 -4.85 55.20 39.51 -5.18 54.68 38.42 -5.01 2 0 1000.00 -999 ?