REMARK SOURCE hebe.pdb HEADER SIGNALING PROTEIN 23-OCT-07 3B47 COMPND METHYL-ACCEPTING CHEMOTAXIS PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PERIPLASMIC DOMAIN OF GSU0582; COMPND 5 SYNONYM: GSU0582; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 FRAGMENT: GSU0582 RESIDUES:35-168; SOURCE 3 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; SOURCE 4 ORGANISM_TAXID: 35554; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: SF110 AUTHOR P.R.POKKULURI,M.SCHIFFER HET HEM A 199 43 SITE 1 AC1 16 ARG A 43 ARG A 54 MET A 60 MET A 61 >ILE.A 37 8.44 44.92 1.55 8.41 44.73 3.00 8.42 44.83 2.27 3 0 19.67 -999 ? CBB HEM A 199 >MET.A 38 7.12 41.15 0.66 5.63 39.65 -2.88 6.38 40.40 -1.11 2 0 12.14 -999 ? CBB HEM A 199 >ASP~A 39 8.98 40.03 4.47 9.95 39.92 6.40 9.47 39.97 5.44 2 0 21.81 -999 ? CBB HEM A 199 >LEU~A 40 12.56 40.38 -0.46 13.54 39.40 -2.14 13.05 39.89 -1.30 3 0 16.76 -999 ? CBB HEM A 199 >GLN~A 41 16.05 43.08 2.37 14.24 43.80 1.48 15.14 43.44 1.92 2 0 20.97 -999 ? CBB HEM A 199 >THR~A 42 14.19 38.64 5.94 12.84 39.08 7.59 13.51 38.86 6.76 2 0 23.76 -999 ? CBB HEM A 199 >ARG~A 43 9.92 36.32 2.10 9.62 36.41 -0.94 9.77 36.37 0.58 2 0 -14.37 -999 ? CBB HEM A 199s >ASN~A 44 17.22 37.18 1.18 19.23 37.06 0.49 18.23 37.12 0.83 2 0 21.65 -999 ? CMB HEM A 199 >THR~A 45 18.58 36.20 5.32 18.95 37.82 6.72 18.77 37.01 6.02 2 0 26.03 -999 ? CBB HEM A 199 >ARG~A 46 13.14 31.83 7.49 11.42 34.38 7.50 12.28 33.11 7.50 2 0 22.66 -999 ? CBB HEM A 199 >GLY~A 47 17.69 31.18 3.46 18.17 31.65 3.96 17.93 31.42 3.71 1 0 22.73 -999 ? CBB HEM A 199 >LEU~A 48 21.68 33.92 3.66 23.71 34.61 3.36 22.70 34.27 3.51 3 0 26.08 -999 ? CBB HEM A 199 >SER~A 49 21.52 31.52 7.41 19.36 31.39 8.56 20.44 31.45 7.99 2 0 27.69 -999 ? CBB HEM A 199 >THR~A 50 20.49 27.98 6.49 18.68 26.93 5.95 19.59 27.45 6.22 2 0 26.14 -999 ? CBB HEM A 199 >LEU~A 51 23.47 28.79 2.69 22.50 28.55 0.76 22.98 28.67 1.73 3 0 25.84 -999 ? CBB HEM A 199 >VAL~A 52 25.85 29.30 6.28 26.45 31.35 6.79 26.15 30.32 6.53 3 0 30.95 -999 ? CBB HEM A 199 >VAL~A 53 24.86 27.00 9.15 23.33 26.64 10.68 24.10 26.82 9.92 3 0 32.48 -999 ? CBB HEM A 199 >ARG~A 54 26.14 22.70 3.92 28.61 21.36 2.73 27.38 22.03 3.32 2 0 -33.07 -999 ? CMB HEM A 199s >ASP~A 55 29.20 26.39 5.01 28.34 26.44 3.06 28.77 26.41 4.04 2 0 31.26 -999 ? CMB HEM A 199 >ILE~A 56 29.07 27.03 10.30 30.12 27.92 10.73 29.60 27.47 10.51 3 0 36.56 -999 ? CBB HEM A 199 >GLY~A 57 28.83 22.57 10.41 29.40 22.80 9.86 29.11 22.68 10.13 1 0 37.20 -999 ? CBB HEM A 199 >GLU~A 58 30.01 20.56 5.69 29.80 18.49 6.08 29.91 19.52 5.89 2 0 36.89 -999 ? CBB HEM A 199 >LEU~A 59 34.06 24.80 8.86 34.48 25.73 6.94 34.27 25.26 7.90 3 0 38.94 -999 ? CMB HEM A 199 >MET~A 60 33.30 22.55 12.72 32.83 25.13 14.63 33.06 23.84 13.68 2 0 -42.11 -999 ? CBB HEM A 199s >MET~A 61 33.97 18.84 12.15 31.28 17.04 12.36 32.63 17.94 12.25 2 0 -42.15 -999 ? CBB HEM A 199s >ALA.A 62 37.68 19.77 11.99 38.25 20.69 10.93 37.96 20.23 11.46 2 0 45.06 -999 ? CMB HEM A 199 >GLY.A 63 37.76 21.20 15.50 38.10 21.49 14.80 37.93 21.35 15.15 1 0 -47.23 -999 ? CBB HEM A 199s >ASP~A 64 40.73 23.68 12.93 42.04 25.23 12.32 41.38 24.46 12.63 2 0 47.54 -999 ? CMB HEM A 199 >MET~A 65 38.62 27.66 14.53 36.15 27.55 16.54 37.39 27.61 15.54 2 0 45.33 -999 ? CBB HEM A 199 >ALA~A 66 41.13 28.99 11.99 42.55 28.49 11.79 41.84 28.74 11.89 2 0 47.04 -999 ? CMB HEM A 199 >VAL~A 67 39.17 27.47 9.11 38.13 25.59 8.66 38.65 26.53 8.89 3 0 42.60 -999 ? CMB HEM A 199 >ILE~A 68 35.44 29.16 11.86 34.14 28.50 11.72 34.79 28.83 11.79 3 0 41.07 -999 ? CBB HEM A 199 >GLU~A 69 38.89 32.94 12.71 40.69 32.64 13.80 39.79 32.79 13.25 2 0 46.38 -999 ? CMB HEM A 199 >ARG~A 70 41.93 29.83 6.56 43.23 27.55 8.12 42.58 28.69 7.34 2 0 45.70 -999 ? CMB HEM A 199 >TYR~A 71 33.03 30.06 5.66 30.40 29.83 4.73 31.71 29.94 5.20 3 0 34.35 -999 ? CMB HEM A 199 >VAL~A 72 33.87 34.33 7.42 33.32 34.80 9.48 33.59 34.57 8.45 3 0 37.44 -999 ? CMB HEM A 199 >ALA~A 73 36.50 36.62 5.90 38.00 36.47 6.08 37.25 36.54 5.99 2 0 39.19 -999 ? CMA HEM A 199 >ASP~A 74 35.93 34.03 1.87 35.93 33.96 -0.24 35.93 34.00 0.81 2 0 34.12 -999 ? CMA HEM A 199 >VAL~A 75 31.83 35.97 3.02 30.31 34.56 3.77 31.07 35.27 3.40 3 0 32.30 -999 ? CMB HEM A 199 >ARG~A 76 33.89 40.10 7.83 33.50 39.94 10.87 33.69 40.02 9.35 2 0 39.16 -999 ? CMA HEM A 199 >GLY.A 77 30.75 42.47 2.48 30.54 41.76 2.31 30.65 42.12 2.40 1 0 31.39 -999 ? CMA HEM A 199 >LYS.A 78 29.11 40.44 -0.28 34.52 37.47 -1.43 31.82 38.96 -0.85 2 0 31.91 -999 ? CMA HEM A 199 >GLY.A 79 25.60 39.51 -1.39 25.79 40.25 -1.54 25.69 39.88 -1.46 1 0 24.83 -999 ? CMA HEM A 199 >ALA.A 80 24.07 42.95 -1.98 24.79 44.29 -1.80 24.43 43.62 -1.89 2 0 24.45 -999 ? CMA HEM A 199 >VAL^A 81 21.47 43.03 -4.78 19.37 42.45 -4.96 20.42 42.74 -4.87 3 0 19.01 -999 ? CMA HEM A 199 >LEU^A 82 24.20 45.02 -8.14 26.08 45.45 -7.18 25.14 45.24 -7.66 3 0 21.42 -999 ? CMA HEM A 199 >ASP^A 83 20.87 45.35 -11.43 19.66 46.24 -12.91 20.26 45.79 -12.17 2 0 14.94 -999 ? CMA HEM A 199 >LEU^A 84 15.95 43.33 -9.73 14.43 41.83 -9.30 15.19 42.58 -9.51 3 0 12.19 -999 ? CMA HEM A 199 >ARG^A 85 17.96 46.25 -16.17 20.88 46.34 -17.27 19.42 46.30 -16.72 2 0 14.84 -999 ? CBA HEM A 199 >ILE^A 86 11.06 42.59 -16.20 10.68 41.43 -15.38 10.87 42.01 -15.79 3 0 4.99 -999 ? CMA HEM A 199 >TYR^A 87 15.21 41.36 -20.42 17.51 42.81 -19.79 16.36 42.08 -20.10 3 0 -9.22 -999 ? CBA HEM A 199s >ASP^A 88 9.33 41.19 -23.83 10.61 41.55 -25.49 9.97 41.37 -24.66 2 0 -5.71 -999 ? CBA HEM A 199s >ALA.A 89 9.75 36.97 -24.62 8.44 36.34 -25.09 9.09 36.65 -24.86 2 0 5.89 -999 ? O2A HEM A 199 >ALA.A 90 11.96 38.35 -27.40 11.44 39.42 -28.37 11.70 38.88 -27.88 2 0 8.30 -999 ? O2A HEM A 199 >GLY.A 91 14.82 39.26 -25.10 14.26 39.84 -25.31 14.54 39.55 -25.21 1 0 9.11 -999 ? CBA HEM A 199 >ARG.A 92 12.49 44.33 -28.53 12.72 42.57 -31.03 12.61 43.45 -29.78 2 0 11.13 -999 ? O2A HEM A 199 >PRO.A 93 15.15 46.61 -23.13 13.96 44.80 -22.69 14.56 45.71 -22.91 3 0 8.49 -999 ? CBA HEM A 199 >ALA.A 94 10.74 46.84 -20.73 10.62 47.48 -19.38 10.68 47.16 -20.05 2 0 6.50 -999 ? CAA HEM A 199 >ALA.A 100 17.42 45.70 -29.52 18.80 45.81 -30.18 18.11 45.76 -29.85 2 0 15.32 -999 ? CBA HEM A 199 >PRO.A 101 17.31 41.45 -30.34 17.11 42.75 -28.55 17.21 42.10 -29.45 3 0 13.14 -999 ? CBA HEM A 199 >ASP~A 102 19.42 41.08 -24.08 21.22 41.03 -22.98 20.32 41.05 -23.53 2 0 14.21 -999 ? CBA HEM A 199 >GLY~A 103 21.72 37.95 -26.84 21.46 38.09 -26.11 21.59 38.02 -26.48 1 0 16.20 -999 ? CBA HEM A 199 >GLU~A 104 24.56 37.21 -22.64 25.75 37.62 -20.95 25.16 37.41 -21.80 2 0 18.36 -999 ? CMA HEM A 199 >VAL~A 105 18.63 36.74 -22.56 17.50 38.39 -21.71 18.06 37.57 -22.13 3 0 11.18 -999 ? CMA HEM A 199 >GLN~A 106 16.95 36.61 -27.99 17.48 36.84 -30.05 17.22 36.72 -29.02 2 0 14.52 -999 ? O2A HEM A 199 >ALA~A 107 19.91 32.36 -25.35 21.42 32.51 -25.16 20.67 32.43 -25.25 2 0 16.76 -999 ? CMA HEM A 199 >ALA~A 108 18.53 31.94 -21.84 18.51 33.01 -20.76 18.52 32.47 -21.30 2 0 12.79 -999 ? CMA HEM A 199 >LEU~A 109 14.33 33.10 -23.97 13.31 34.76 -23.02 13.82 33.93 -23.49 3 0 9.62 -999 ? CMA HEM A 199 >THR~A 110 15.99 29.51 -26.00 16.85 29.80 -27.97 16.42 29.65 -26.98 2 0 16.30 -999 ? CMA HEM A 199 >SER~A 111 17.70 27.07 -23.63 18.83 28.22 -21.82 18.27 27.65 -22.73 2 0 16.14 -999 ? CMA HEM A 199 >GLY~A 112 14.71 27.40 -21.33 15.50 27.40 -21.11 15.10 27.40 -21.22 1 0 13.67 -999 ? CMB HEM A 199 >ALA.A 113 17.02 27.41 -18.32 18.08 26.31 -18.38 17.55 26.86 -18.35 2 0 16.05 -999 ? CMB HEM A 199 >THR.A 114 18.41 29.96 -15.88 18.01 30.51 -13.82 18.21 30.24 -14.85 2 0 13.95 -999 ? CMB HEM A 199 >ALA^A 115 21.79 31.32 -16.97 21.91 32.08 -18.28 21.85 31.70 -17.62 2 0 16.03 -999 ? CMA HEM A 199 >GLU^A 116 23.56 30.52 -12.55 23.99 28.90 -11.30 23.77 29.71 -11.93 2 0 20.48 -999 ? CMB HEM A 199 >LYS^A 117 27.20 34.42 -15.50 27.28 31.60 -20.24 27.24 33.01 -17.87 2 0 21.20 -999 ? CMA HEM A 199 >ARG^A 118 32.98 34.95 -11.09 35.25 34.89 -9.03 34.11 34.92 -10.06 2 0 29.54 -999 ? CMA HEM A 199 >HIS^A 119 29.12 40.05 -15.72 27.33 40.97 -15.14 28.23 40.51 -15.43 3 0 20.85 -999 ? CMA HEM A 199 >LYS.A 120 32.48 42.78 -14.00 38.80 42.18 -14.15 35.64 42.48 -14.07 2 0 31.59 -999 ? CMA HEM A 199 >ARG.A 124 32.31 48.21 -8.04 32.87 50.82 -6.57 32.59 49.51 -7.30 2 0 30.18 -999 ? CMA HEM A 199 >HIS.A 125 35.26 40.52 -9.26 37.30 40.59 -9.77 36.28 40.55 -9.51 3 0 30.05 -999 ? CMA HEM A 199 >VAL^A 126 29.29 40.63 -9.81 28.68 42.41 -10.92 28.98 41.52 -10.37 3 0 22.95 -999 ? CMA HEM A 199 >LEU^A 127 26.93 36.66 -9.23 26.68 34.52 -9.42 26.80 35.59 -9.33 3 0 21.60 -999 ? CMA HEM A 199 >SER^A 128 24.19 37.69 -12.91 24.65 39.87 -13.89 24.42 38.78 -13.40 2 0 17.64 -999 ? CMA HEM A 199 >PHE^A 129 21.29 33.76 -11.10 22.63 31.78 -9.62 21.96 32.77 -10.36 3 0 17.76 -999 ? CMA HEM A 199 >ILE^A 130 19.40 35.38 -17.60 19.71 36.06 -18.79 19.56 35.72 -18.19 3 0 12.47 -999 ? CMA HEM A 199 >VAL^A 131 15.72 33.44 -15.22 15.28 32.87 -13.15 15.50 33.15 -14.18 3 0 10.77 -999 ? CMB HEM A 199 >PRO^A 132 14.89 31.37 -18.97 13.77 32.68 -17.55 14.33 32.03 -18.26 3 0 9.94 -999 ? CMA HEM A 199 >LEU^A 133 9.15 34.86 -16.49 9.96 36.10 -14.93 9.56 35.48 -15.71 3 0 4.46 -999 ? CMB HEM A 199 >ALA^A 134 7.42 30.50 -17.60 7.40 29.19 -16.81 7.41 29.85 -17.21 2 0 6.70 -999 ? CMB HEM A 199 >ASN.A 135 3.76 31.41 -20.58 1.84 32.21 -21.09 2.80 31.81 -20.83 2 0 6.80 -999 ? C3B HEM A 199 >GLU.A 136 3.68 29.40 -14.39 3.79 29.67 -12.30 3.73 29.54 -13.35 2 0 5.01 -999 ? CBB HEM A 199 >VAL.A 137 -1.56 28.57 -16.82 -2.84 26.79 -16.79 -2.20 27.68 -16.80 3 0 8.67 -999 ? CAB HEM A 199 >ARG~A 138 -0.21 32.23 -11.35 2.24 33.03 -9.66 1.01 32.63 -10.50 2 0 -4.17 -999 ? CBB HEM A 199s >CYH~A 139 -0.52 33.83 -16.76 2.03 33.37 -15.60 0.76 33.60 -16.18 2 0 -1.83 -999 ? CAB HEM A 199s >GLN~A 140 -1.04 30.30 -20.47 -1.12 28.17 -20.60 -1.08 29.24 -20.53 2 0 9.53 -999 ? CAB HEM A 199 >SER~A 141 -5.31 34.57 -19.23 -5.98 33.87 -17.00 -5.65 34.22 -18.11 2 0 5.13 -999 ? CMC HEM A 199 >CYH~A 142 -3.40 37.56 -20.64 -4.37 38.78 -18.26 -3.88 38.17 -19.45 2 0 -1.82 -999 ? CAC HEM A 199s >HIS.A 143 1.28 37.01 -20.86 2.00 38.76 -19.90 1.64 37.88 -20.38 3 0 -3.25 -999 ? FE HEM A 199s >GLU.A 144 0.85 34.47 -27.14 1.80 33.24 -28.55 1.32 33.85 -27.85 2 0 10.53 -999 ? O2A HEM A 199 >GLN.A 145 -2.84 29.04 -25.20 -4.82 28.57 -24.60 -3.83 28.81 -24.90 2 0 12.90 -999 ? CMC HEM A 199 >GLY.A 146 1.37 29.44 -27.31 1.64 29.85 -26.67 1.51 29.65 -26.99 1 0 13.17 -999 ? O2A HEM A 199 >ALA.A 147 4.47 30.98 -25.72 4.62 32.48 -25.53 4.55 31.73 -25.62 2 0 9.01 -999 ? O2A HEM A 199 >ARG.A 148 9.34 26.31 -22.74 11.37 24.28 -21.64 10.36 25.29 -22.19 2 0 14.03 -999 ? CMB HEM A 199 >PHE^A 149 10.05 30.89 -21.27 11.36 28.52 -20.54 10.71 29.70 -20.90 3 0 9.48 -999 ? CMB HEM A 199 >ASN^A 150 5.45 35.98 -20.18 3.72 34.78 -20.27 4.59 35.38 -20.22 2 0 -4.48 -999 ? C1B HEM A 199s >GLY^A 151 9.97 36.96 -20.64 9.89 36.23 -20.22 9.93 36.60 -20.43 1 0 3.96 -999 ? CMA HEM A 199 >ALA^A 152 12.90 36.74 -18.26 14.18 36.42 -19.04 13.54 36.58 -18.65 2 0 7.20 -999 ? CMA HEM A 199 >MET^A 153 14.20 38.20 -15.01 14.98 38.35 -11.46 14.59 38.28 -13.24 2 0 10.25 -999 ? CMA HEM A 199 >LEU^A 154 18.33 40.51 -15.63 20.46 40.90 -15.87 19.40 40.71 -15.75 3 0 12.16 -999 ? CMA HEM A 199 >LEU^A 155 18.61 38.36 -10.14 18.32 38.60 -8.00 18.46 38.48 -9.07 3 0 14.40 -999 ? CMA HEM A 199 >THR^A 156 22.63 40.68 -10.23 23.79 41.73 -11.75 23.21 41.21 -10.99 2 0 17.68 -999 ? CMA HEM A 199 >THR^A 157 24.41 40.46 -6.89 23.75 38.52 -6.22 24.08 39.49 -6.56 2 0 20.29 -999 ? CMA HEM A 199 >SER^A 158 27.75 41.71 -5.62 29.18 43.29 -4.45 28.46 42.50 -5.03 2 0 26.03 -999 ? CMA HEM A 199 >LEU.A 159 31.26 38.60 -6.34 30.21 36.88 -7.13 30.74 37.74 -6.73 3 0 25.99 -999 ? CMA HEM A 199 >GLU.A 160 33.56 43.74 -6.50 35.65 43.78 -6.24 34.61 43.76 -6.37 2 0 30.91 -999 ? CMA HEM A 199 >GLU.A 161 34.76 43.18 1.60 36.28 42.22 2.72 35.52 42.70 2.16 2 0 35.77 -999 ? CMA HEM A 199 >GLY.A 162 31.89 46.37 0.58 31.65 46.04 -0.08 31.77 46.20 0.25 1 0 31.66 -999 ? CMA HEM A 199 >TYR.A 163 30.13 47.50 -5.25 28.76 48.70 -7.39 29.45 48.10 -6.32 3 0 26.47 -999 ? CMA HEM A 199 >ALA.A 164 26.41 47.49 -2.70 25.84 47.51 -1.29 26.12 47.50 -2.00 2 0 26.36 -999 ? CMA HEM A 199 >GLY.A 165 25.78 49.97 -5.51 26.18 50.19 -4.84 25.98 50.08 -5.17 1 0 24.72 -999 ? CMA HEM A 199