REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 26-JUL-06 2HUH COMPND PUTATIVE DNA MISMATCH REPAIR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; SOURCE 3 ORGANISM_TAXID: 818; SOURCE 4 GENE: NP_811092.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 105 8 HET MSE A 106 13 HET MSE A 161 8 HET MG A 1 1 SITE 1 AC1 6 SER A 203 PHE A 206 HOH A 275 HOH A 279 >GLN.A 82 -0.21 -7.78 63.21 -0.59 -8.80 65.04 -0.40 -8.29 64.13 2 0 19.32 -999 ? MG MG A 1 >PRO.A 83 -5.89 -9.37 63.80 -4.99 -9.37 61.75 -5.44 -9.37 62.77 3 0 22.14 -999 ? MG MG A 1 >GLU.A 84 -8.59 -7.03 57.75 -10.30 -6.86 56.48 -9.45 -6.94 57.11 2 0 25.35 -999 ? MG MG A 1 >VAL.A 85 -8.39 -3.62 62.50 -6.93 -2.06 62.98 -7.66 -2.84 62.74 3 0 18.33 -999 ? MG MG A 1 >GLY.A 87 -12.77 0.59 62.24 -12.31 0.04 61.85 -12.54 0.32 62.04 1 0 20.47 -999 ? MG MG A 1 >GLY.A 88 -10.13 0.13 59.54 -10.91 -0.01 59.38 -10.52 0.06 59.46 1 0 19.75 -999 ? MG MG A 1 >ASP.A 89 -13.91 -1.08 56.60 -13.35 -3.11 56.59 -13.63 -2.09 56.60 2 0 25.11 -999 ? MG MG A 1 >THR.A 90 -12.87 3.62 57.01 -13.90 4.98 58.32 -13.39 4.30 57.66 2 0 21.73 -999 ? MG MG A 1 >LEU.A 91 -10.18 5.22 53.42 -8.78 4.79 51.85 -9.48 5.00 52.64 3 0 22.11 -999 ? MG MG A 1 >ASN.A 92 -7.55 7.05 58.40 -9.40 7.69 59.25 -8.48 7.37 58.82 2 0 17.11 -999 ? MG MG A 1 >VAL^A 93 -4.32 7.96 54.99 -4.13 6.97 53.04 -4.23 7.46 54.02 3 0 17.66 -999 ? MG MG A 1 >PHE^A 94 -2.70 10.39 58.24 -5.10 9.94 59.56 -3.90 10.17 58.90 3 0 13.31 -999 ? MG MG A 1 >LEU^A 95 1.40 13.06 53.40 3.02 13.53 52.06 2.21 13.29 52.73 3 0 17.22 -999 ? MG MG A 1 >ALA^A 96 3.94 12.41 57.43 3.87 11.30 58.43 3.91 11.86 57.93 2 0 11.11 -999 ? MG MG A 1 >TYR^A 97 6.99 15.67 55.67 6.07 15.95 53.04 6.53 15.81 54.35 3 0 16.49 -999 ? MG MG A 1 >VAL^A 98 9.59 13.08 60.47 8.74 11.27 61.46 9.16 12.18 60.96 3 0 10.11 -999 ? MG MG A 1 >PRO^A 99 12.29 14.95 63.49 12.41 13.98 61.45 12.35 14.47 62.47 3 0 11.77 -999 ? MG MG A 1 >GLU.A 100 17.60 9.75 60.40 19.15 9.66 61.85 18.37 9.71 61.13 2 0 16.66 -999 ? MG MG A 1 >ASP.A 101 18.63 12.63 64.54 19.47 12.60 66.49 19.05 12.62 65.51 2 0 15.79 -999 ? MG MG A 1 >ALA.A 102 14.79 14.91 66.45 13.51 14.52 67.13 14.15 14.71 66.79 2 0 10.79 -999 ? MG MG A 1 >LYS.A 103 17.58 15.63 68.91 15.75 12.66 72.60 16.67 14.15 70.75 2 0 12.35 -999 ? MG MG A 1 >ALA.A 104 19.84 17.17 66.23 20.87 16.18 65.67 20.36 16.68 65.95 2 0 18.30 -999 ? MG MG A 1 >MET?A 105 17.66 19.66 64.37 14.43 18.75 64.35 16.05 19.20 64.36 2 0 14.69 -999 ? MG MG A 1 >MET?A 106 20.56 21.47 62.72 20.60 24.14 64.90 20.58 22.81 63.81 2 0 22.44 -999 ? MG MG A 1 >THR.A 107 21.94 18.39 61.03 23.42 17.81 62.48 22.68 18.10 61.75 2 0 22.01 -999 ? MG MG A 1 >THR.A 108 19.10 15.98 60.70 17.15 15.58 61.52 18.12 15.78 61.11 2 0 16.29 -999 ? MG MG A 1 >PRO.A 109 18.89 12.91 57.50 18.02 14.96 57.99 18.45 13.94 57.75 3 0 18.88 -999 ? MG MG A 1 >PHE^A 110 13.23 16.53 57.85 13.72 18.48 59.74 13.47 17.50 58.79 3 0 16.19 -999 ? MG MG A 1 >GLU^A 111 13.15 9.61 57.52 13.29 8.83 59.49 13.22 9.22 58.51 2 0 13.38 -999 ? MG MG A 1 >ALA^A 112 8.45 11.36 54.20 8.36 11.93 52.76 8.40 11.65 53.48 2 0 17.29 -999 ? MG MG A 1 >TYR^A 113 7.18 7.72 56.94 9.52 7.21 58.27 8.35 7.47 57.61 3 0 12.60 -999 ? MG MG A 1 >LEU^A 114 2.30 6.90 52.11 0.47 7.46 51.02 1.38 7.18 51.57 3 0 18.17 -999 ? MG MG A 1 >VAL^A 115 0.75 6.20 56.57 1.11 6.94 58.62 0.93 6.57 57.59 3 0 12.57 -999 ? MG MG A 1 >ASN^A 116 -1.85 2.72 54.68 -3.61 1.71 54.07 -2.73 2.22 54.37 2 0 18.85 -999 ? MG MG A 1 >ASP.A 117 -4.45 4.76 59.76 -5.51 4.22 61.53 -4.98 4.49 60.65 2 0 13.56 -999 ? MG MG A 1 >SER.A 118 -6.76 1.31 57.08 -6.61 1.54 54.61 -6.68 1.43 55.85 2 0 19.95 -999 ? MG MG A 1 >ASN.A 119 -8.89 -2.97 56.56 -9.11 -3.13 58.64 -9.00 -3.05 57.60 2 0 21.25 -999 ? MG MG A 1 >TYR.A 120 -9.37 -0.46 51.72 -12.17 -0.72 51.65 -10.77 -0.59 51.69 3 0 25.28 -999 ? MG MG A 1 >TYR^A 121 -3.58 -4.37 49.66 -2.89 -6.78 50.77 -3.23 -5.57 50.21 3 0 25.44 -999 ? MG MG A 1 >LEU^A 122 -2.72 2.52 49.14 -3.87 3.40 50.78 -3.30 2.96 49.96 3 0 21.81 -999 ? MG MG A 1 >TYR^A 123 -1.85 0.21 43.28 -1.59 -2.52 42.78 -1.72 -1.16 43.03 3 0 29.00 -999 ? MG MG A 1 >TYR^A 124 1.63 5.65 46.99 4.34 5.05 47.21 2.98 5.35 47.10 3 0 22.67 -999 ? MG MG A 1 >THR^A 125 1.97 8.23 43.67 1.13 8.52 41.70 1.55 8.38 42.68 2 0 27.86 -999 ? MG MG A 1 >TYR^A 126 5.22 11.77 47.47 6.37 13.78 49.01 5.79 12.77 48.24 3 0 21.46 -999 ? MG MG A 1 >LEU^A 127 3.45 14.26 42.09 2.48 12.95 40.81 2.97 13.60 41.45 3 0 28.27 -999 ? MG MG A 1 >SER^A 128 6.05 17.50 43.38 8.47 17.09 43.33 7.26 17.29 43.35 2 0 27.48 -999 ? MG MG A 1 >ALA^A 129 5.22 20.50 41.17 4.16 21.55 41.53 4.69 21.03 41.35 2 0 30.38 -999 ? MG MG A 1 >GLU^A 130 10.24 22.14 38.31 11.79 20.89 37.59 11.02 21.52 37.95 2 0 34.62 -999 ? MG MG A 1 >GLY.A 131 6.36 24.95 36.99 5.94 24.33 37.39 6.15 24.64 37.19 1 0 35.99 -999 ? MG MG A 1 >ALA^A 133 4.56 20.09 35.39 5.66 19.65 34.47 5.11 19.87 34.93 2 0 36.40 -999 ? MG MG A 1 >TRP^A 134 1.93 18.53 37.97 1.25 19.10 41.80 1.59 18.82 39.89 3 0 31.07 -999 ? MG MG A 1 >ASN^A 135 9.19 15.65 39.43 9.90 17.10 38.07 9.55 16.38 38.75 2 0 32.73 -999 ? MG MG A 1 >ASN^A 136 6.98 10.44 39.54 6.03 8.81 40.51 6.51 9.63 40.03 2 0 28.92 -999 ? MG MG A 1 >ARG^A 137 8.89 14.57 45.69 11.65 15.94 45.40 10.27 15.25 45.54 2 0 25.92 -999 ? MG MG A 1 >SER^A 138 7.68 7.79 44.74 7.67 6.43 46.80 7.67 7.11 45.77 2 0 23.01 -999 ? MG MG A 1 >HIS^A 139 5.68 4.82 41.26 7.01 3.78 40.00 6.34 4.30 40.63 3 0 29.26 -999 ? MG MG A 1 >GLY^A 140 3.87 1.79 44.43 3.29 2.29 44.71 3.58 2.04 44.57 1 0 26.08 -999 ? MG MG A 1 >LEU^A 141 1.85 -1.87 46.53 0.53 -3.42 47.09 1.19 -2.64 46.81 3 0 25.76 -999 ? MG MG A 1 >VAL^A 142 1.13 0.15 50.50 1.35 2.04 51.53 1.24 1.09 51.01 3 0 20.37 -999 ? MG MG A 1 >GLU.A 143 1.46 -4.57 51.87 3.01 -5.83 52.39 2.23 -5.20 52.13 2 0 22.84 -999 ? MG MG A 1 >PRO.A 144 -3.99 -4.36 53.89 -2.56 -2.75 54.48 -3.28 -3.56 54.19 3 0 21.34 -999 ? MG MG A 1 >ASN.A 145 -2.82 -2.06 59.39 -4.93 -1.90 59.44 -3.87 -1.98 59.41 2 0 17.64 -999 ? MG MG A 1 >THR^A 146 1.34 -0.01 57.67 2.76 -1.06 56.44 2.05 -0.53 57.05 2 0 16.70 -999 ? MG MG A 1 >LYS^A 147 3.53 2.87 56.60 5.14 3.94 62.14 4.34 3.41 59.37 2 0 9.10 -999 ? MG MG A 1 >LEU^A 148 5.31 2.99 52.35 6.28 2.03 50.71 5.80 2.51 51.53 3 0 19.19 -999 ? MG MG A 1 >LEU^A 149 10.44 5.02 53.97 12.13 6.40 54.32 11.29 5.71 54.14 3 0 17.16 -999 ? MG MG A 1 >LEU^A 150 7.57 8.68 50.33 5.47 8.33 50.31 6.52 8.51 50.32 3 0 19.20 -999 ? MG MG A 1 >GLU^A 151 12.63 11.67 49.30 12.09 13.39 48.22 12.36 12.53 48.76 2 0 22.90 -999 ? MG MG A 1 >GLU^A 152 16.34 10.45 54.80 17.77 9.30 55.84 17.05 9.87 55.32 2 0 19.11 -999 ? MG MG A 1 >PHE^A 153 13.56 15.31 52.20 11.35 16.11 53.70 12.45 15.71 52.95 3 0 19.40 -999 ? MG MG A 1 >THR~A 154 17.90 17.11 53.46 19.87 16.92 52.63 18.88 17.01 53.05 2 0 24.08 -999 ? MG MG A 1 >LYS~A 155 16.45 20.62 53.97 18.48 21.72 58.13 17.47 21.17 56.05 2 0 21.91 -999 ? MG MG A 1 >ASP~A 156 19.23 21.47 49.95 19.74 19.44 50.01 19.48 20.46 49.98 2 0 26.74 -999 ? MG MG A 1 >VAL~A 157 15.13 19.61 49.03 15.10 17.42 48.68 15.11 18.52 48.86 3 0 24.93 -999 ? MG MG A 1 >LEU~A 158 12.48 22.53 52.00 12.01 21.60 53.90 12.25 22.06 52.95 3 0 22.22 -999 ? MG MG A 1 >ASN~A 159 13.96 24.91 47.20 15.61 23.66 46.75 14.79 24.28 46.98 2 0 29.05 -999 ? MG MG A 1 >GLU~A 160 13.42 20.19 44.64 14.50 18.37 44.59 13.96 19.28 44.62 2 0 28.27 -999 ? MG MG A 1 >MET?A 161 8.37 20.71 47.91 10.33 18.00 50.52 9.35 19.35 49.21 2 0 21.59 -999 ? MG MG A 1 >GLU~A 162 5.78 26.34 46.89 6.13 27.90 45.49 5.96 27.12 46.19 2 0 30.27 -999 ? MG MG A 1 >ARG^A 163 0.69 22.82 43.71 -2.07 23.89 44.63 -0.69 23.36 44.17 2 0 29.37 -999 ? MG MG A 1 >VAL^A 164 3.26 18.26 46.41 4.34 17.83 48.26 3.80 18.05 47.33 3 0 23.68 -999 ? MG MG A 1 >ALA^A 165 0.48 15.79 45.67 -0.09 15.95 44.29 0.20 15.87 44.98 2 0 26.29 -999 ? MG MG A 1 >VAL^A 166 -0.60 12.31 46.65 -0.19 11.28 48.51 -0.39 11.80 47.58 3 0 22.42 -999 ? MG MG A 1 >GLN^A 167 -2.47 11.85 42.39 -2.90 12.22 40.34 -2.68 12.04 41.37 2 0 30.04 -999 ? MG MG A 1 >LEU^A 168 -3.90 6.67 46.82 -5.12 7.10 48.62 -4.51 6.88 47.72 3 0 23.51 -999 ? MG MG A 1 >ILE^A 169 -6.96 3.50 43.55 -6.66 3.29 42.13 -6.81 3.40 42.84 3 0 29.37 -999 ? MG MG A 1 >ALA^A 170 -7.69 1.68 47.67 -8.26 2.38 48.87 -7.97 2.03 48.27 2 0 25.04 -999 ? MG MG A 1 >PHE^A 171 -6.95 -2.79 45.88 -4.24 -3.38 45.64 -5.59 -3.08 45.76 3 0 28.47 -999 ? MG MG A 1 >LYS~A 172 -8.93 -5.32 49.14 -11.82 -4.97 54.72 -10.38 -5.15 51.93 2 0 26.08 -999 ? MG MG A 1 >ASP~A 173 -6.23 -8.56 47.34 -5.59 -10.16 46.07 -5.91 -9.36 46.70 2 0 31.98 -999 ? MG MG A 1 >GLY~A 174 -9.91 -11.64 48.03 -10.15 -10.94 48.36 -10.03 -11.29 48.20 1 0 33.15 -999 ? MG MG A 1 >LYS~A 175 -12.39 -10.04 50.43 -8.02 -10.39 54.24 -10.20 -10.21 52.34 2 0 27.78 -999 ? MG MG A 1 >PRO~A 176 -16.74 -10.05 50.03 -15.07 -8.61 49.74 -15.90 -9.33 49.88 3 0 33.73 -999 ? MG MG A 1 >ALA~A 177 -15.19 -4.38 50.20 -13.73 -3.99 49.92 -14.46 -4.19 50.06 2 0 29.70 -999 ? MG MG A 1 >ALA~A 178 -16.91 -1.04 49.91 -17.08 -0.04 51.01 -16.99 -0.54 50.46 2 0 29.70 -999 ? MG MG A 1 >ILE~A 179 -16.58 1.17 45.54 -17.01 1.81 44.39 -16.79 1.49 44.96 3 0 33.20 -999 ? MG MG A 1 >LYS~A 180 -13.59 3.85 47.92 -14.66 3.11 52.91 -14.13 3.48 50.42 2 0 25.87 -999 ? MG MG A 1 >PRO~A 181 -12.81 8.08 48.34 -13.13 6.65 46.65 -12.97 7.36 47.49 3 0 27.93 -999 ? MG MG A 1 >ALA~A 182 -10.09 7.54 43.77 -10.14 7.36 42.24 -10.11 7.45 43.01 2 0 30.79 -999 ? MG MG A 1 >VAL^A 183 -8.09 10.28 45.46 -8.02 10.15 47.63 -8.05 10.21 46.55 3 0 25.96 -999 ? MG MG A 1 >SER^A 184 -5.95 13.18 44.40 -4.91 14.52 42.67 -5.43 13.85 43.53 2 0 28.70 -999 ? MG MG A 1 >VAL^A 185 -4.79 15.71 47.02 -5.38 15.45 49.13 -5.09 15.58 48.07 3 0 24.07 -999 ? MG MG A 1 >GLU^A 186 -2.80 18.82 43.83 -3.27 19.97 42.14 -3.04 19.40 42.98 2 0 30.18 -999 ? MG MG A 1 >LEU^A 187 -0.15 19.20 50.24 -1.26 17.71 51.36 -0.71 18.46 50.80 3 0 21.26 -999 ? MG MG A 1 >ARG^A 188 0.10 26.67 48.46 2.80 28.17 48.79 1.45 27.42 48.62 2 0 27.90 -999 ? MG MG A 1 >ILE~A 189 5.09 21.17 52.10 4.69 19.97 52.73 4.89 20.57 52.42 3 0 20.32 -999 ? MG MG A 1 >ASP~A 190 3.90 24.11 56.79 1.85 24.46 56.48 2.88 24.28 56.64 2 0 19.97 -999 ? MG MG A 1 >THR~A 191 8.42 24.32 54.86 8.71 24.85 52.82 8.57 24.58 53.84 2 0 23.07 -999 ? MG MG A 1 >VAL~A 192 9.05 26.88 57.66 7.58 28.49 57.66 8.32 27.69 57.66 3 0 22.09 -999 ? MG MG A 1 >LYS~A 193 8.12 24.20 60.21 1.89 23.69 60.89 5.01 23.94 60.55 2 0 16.79 -999 ? MG MG A 1 >PHE~A 194 10.59 20.64 57.24 8.90 18.88 55.99 9.74 19.76 56.61 3 0 17.32 -999 ? MG MG A 1 >TYR~A 195 14.17 25.74 59.29 15.10 25.65 56.67 14.63 25.70 57.98 3 0 22.42 -999 ? MG MG A 1 >LYS~A 196 11.00 24.37 64.31 9.15 30.29 63.19 10.08 27.33 63.75 2 0 22.33 -999 ? MG MG A 1 >LEU~A 197 11.60 20.25 66.84 11.56 18.09 67.11 11.58 19.17 66.97 3 0 12.43 -999 ? MG MG A 1 >HIS~A 198 7.89 24.86 68.74 7.93 26.70 67.72 7.91 25.78 68.23 3 0 16.82 -999 ? MG MG A 1 >THR~A 199 5.54 22.90 65.39 6.50 24.26 64.04 6.02 23.58 64.72 2 0 15.95 -999 ? MG MG A 1 >PHE~A 200 7.51 18.44 63.18 8.81 18.64 60.71 8.16 18.54 61.94 3 0 12.40 -999 ? MG MG A 1 >SER^A 201 3.08 17.14 66.72 1.34 17.17 65.01 2.21 17.15 65.87 2 0 9.38 -999 ? MG MG A 1 >ALA^A 202 2.93 14.02 68.79 2.60 13.98 70.28 2.77 14.00 69.54 2 0 4.97 -999 ? MG MG A 1 >SER~A 203 1.46 11.10 66.85 1.39 10.18 64.58 1.42 10.64 65.72 2 0 -5.65 -999 ? MG MG A 1s >ASP~A 204 -0.77 6.81 67.39 -2.09 7.50 68.93 -1.43 7.16 68.16 2 0 6.66 -999 ? MG MG A 1 >PHE~A 205 0.77 7.47 62.74 -1.93 7.76 62.27 -0.58 7.61 62.50 3 0 8.60 -999 ? MG MG A 1 >PHE^A 206 6.44 8.56 63.08 5.84 7.95 60.47 6.14 8.26 61.78 3 0 -7.90 -999 ? MG MG A 1s >GLU^A 207 9.84 8.04 70.50 11.29 6.85 71.46 10.57 7.45 70.98 2 0 7.75 -999 ? MG MG A 1 >GLU^A 208 11.75 11.41 65.97 11.98 9.39 65.48 11.87 10.40 65.72 2 0 8.63 -999 ? MG MG A 1 >PRO^A 209 8.38 15.77 68.19 7.65 14.14 66.86 8.02 14.95 67.53 3 0 6.95 -999 ? MG MG A 1 >ALA^A 210 5.78 14.52 63.02 5.17 13.20 62.61 5.47 13.86 62.81 2 0 7.81 -999 ? MG MG A 1 >LEU^A 211 5.13 17.91 59.70 4.61 19.86 59.10 4.87 18.88 59.40 3 0 13.78 -999 ? MG MG A 1 >ILE^A 212 0.30 14.46 60.52 0.60 13.02 60.36 0.45 13.74 60.44 3 0 10.65 -999 ? MG MG A 1 >TYR^A 213 0.45 17.76 55.30 2.05 20.00 55.70 1.25 18.88 55.50 3 0 17.08 -999 ? MG MG A 1 >ASP^A 214 -5.78 14.85 56.24 -6.01 14.99 58.32 -5.90 14.92 57.28 2 0 16.11 -999 ? MG MG A 1 >ILE^A 215 -3.86 11.69 51.81 -3.15 12.50 50.89 -3.51 12.09 51.35 3 0 19.82 -999 ? MG MG A 1 >VAL^A 216 -8.01 10.84 53.38 -8.86 9.30 52.07 -8.44 10.07 52.72 3 0 20.96 -999 ? MG MG A 1 >ASP~A 218 -13.35 10.23 58.82 -12.43 10.06 60.71 -12.89 10.14 59.77 2 0 18.83 -999 ? MG MG A 1 >ASP~A 219 -14.62 7.70 54.13 -14.52 5.61 54.40 -14.57 6.66 54.26 2 0 24.33 -999 ? MG MG A 1 >VAL^A 220 -13.14 12.06 52.96 -14.49 13.63 53.68 -13.81 12.85 53.32 3 0 24.43 -999 ? MG MG A 1 >PRO^A 221 -11.46 11.88 48.93 -10.95 12.81 50.89 -11.21 12.35 49.91 3 0 25.05 -999 ? MG MG A 1 >ALA~A 222 -8.63 16.23 51.94 -7.40 16.16 52.83 -8.02 16.19 52.39 2 0 21.35 -999 ? MG MG A 1 >VAL~A 225 -7.49 21.71 52.55 -8.06 20.20 54.02 -7.77 20.95 53.29 3 0 23.19 -999 ? MG MG A 1 >TYR~A 226 -3.23 20.54 53.96 -3.96 18.76 55.98 -3.60 19.65 54.97 3 0 19.35 -999 ? MG MG A 1 >VAL~A 227 -3.61 25.04 49.50 -3.76 24.32 47.42 -3.68 24.68 48.46 3 0 27.10 -999 ? MG MG A 1