REMARK SOURCE hebe.pdb HEADER HYDROLASE ACTIVATOR 15-JUN-07 2QAS COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SSPB; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: C. CRESCENTUS SSRA PEPTIDE; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; SOURCE 3 ORGANISM_TAXID: 155892; SOURCE 4 STRAIN: CB15N; SOURCE 5 GENE: CC_2102; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 OTHER_DETAILS: SYNTHETIC SSRA PEPITDE WITH N-TERMINAL SOURCE 14 SOLUBILIZATION TAG AUTHOR P.CHIEN,R.A.GRANT,R.T.SAUER,T.A.BAKER >PRO.A 6 27.34 74.97 -16.92 29.02 73.88 -15.92 28.18 74.42 -16.42 3 0 1000.00 -999 ? >PRO.A 7 25.71 70.64 -13.24 27.33 72.10 -13.72 26.52 71.37 -13.48 3 0 1000.00 -999 ? >GLU.A 8 30.62 75.07 -10.29 29.37 76.05 -11.69 30.00 75.56 -10.99 2 0 1000.00 -999 ? >ASP.A 9 29.07 68.48 -7.92 27.80 67.01 -7.10 28.43 67.75 -7.51 2 0 1000.00 -999 ? >LEU.A 10 27.31 72.47 -3.71 27.44 74.45 -4.59 27.38 73.46 -4.15 3 0 1000.00 -999 ? >MET.A 11 27.28 67.85 -2.93 24.33 68.01 -1.49 25.81 67.93 -2.21 2 0 1000.00 -999 ? >GLN~A 12 31.79 67.99 -2.79 33.09 68.22 -1.11 32.44 68.10 -1.95 2 0 1000.00 -999 ? >TYR~A 13 26.17 63.63 -5.61 23.76 64.62 -4.57 24.96 64.13 -5.09 3 0 1000.00 -999 ? >GLU~A 14 33.06 61.47 -9.08 31.96 59.65 -9.19 32.51 60.56 -9.14 2 0 1000.00 -999 ? >ALA~A 15 33.87 62.25 -4.00 34.21 63.56 -3.32 34.04 62.90 -3.66 2 0 1000.00 -999 ? >MET~A 16 31.30 60.58 -1.73 28.07 62.95 -0.62 29.69 61.77 -1.17 2 0 1000.00 -999 ? >ALA~A 17 31.03 57.68 -4.17 30.60 57.79 -5.63 30.82 57.74 -4.90 2 0 1000.00 -999 ? >GLN~A 18 37.08 58.04 -5.04 36.81 57.71 -7.13 36.95 57.87 -6.09 2 0 1000.00 -999 ? >ASP~A 19 34.47 58.14 0.75 35.53 59.93 0.49 35.00 59.03 0.62 2 0 1000.00 -999 ? >ALA~A 20 31.93 54.75 -0.23 30.62 55.00 -0.98 31.27 54.88 -0.61 2 0 1000.00 -999 ? >LEU~A 21 34.12 52.73 -4.02 32.62 52.23 -5.49 33.37 52.48 -4.76 3 0 1000.00 -999 ? >ARG~A 22 39.04 55.72 0.19 41.35 56.30 -1.76 40.19 56.01 -0.78 2 0 1000.00 -999 ? >GLY~A 23 34.78 50.51 1.93 35.03 50.27 1.20 34.91 50.39 1.56 1 0 1000.00 -999 ? >VAL~A 24 34.75 47.55 -0.47 33.90 47.13 -2.44 34.32 47.34 -1.46 3 0 1000.00 -999 ? >VAL~A 25 38.49 47.18 0.08 40.22 48.26 -0.63 39.35 47.72 -0.28 3 0 1000.00 -999 ? >LYS~A 26 37.93 47.13 3.83 35.26 50.15 8.57 36.60 48.64 6.20 2 0 1000.00 -999 ? >ALA~A 27 35.17 44.56 3.52 33.82 44.78 2.88 34.50 44.67 3.20 2 0 1000.00 -999 ? >ALA~A 28 37.33 42.41 1.21 37.87 42.85 -0.14 37.60 42.63 0.54 2 0 1000.00 -999 ? >LEU~A 29 41.03 43.83 4.06 42.73 44.54 2.92 41.88 44.19 3.49 3 0 1000.00 -999 ? >LYS~A 30 37.92 41.34 6.46 35.00 45.72 10.05 36.46 43.53 8.26 2 0 1000.00 -999 ? >LYS~A 31 37.06 38.23 4.49 32.01 38.76 0.67 34.53 38.49 2.58 2 0 1000.00 -999 ? >ALA~A 32 40.78 37.76 3.84 41.64 38.72 3.01 41.21 38.24 3.42 2 0 1000.00 -999 ? >ALA~A 33 41.52 38.16 7.54 41.37 39.47 8.29 41.45 38.81 7.91 2 0 1000.00 -999 ? >ALA.A 34 38.98 35.44 8.32 37.69 35.19 7.53 38.33 35.32 7.93 2 0 1000.00 -999 ? >PRO.A 35 38.63 32.09 10.99 40.15 32.81 9.52 39.39 32.45 10.25 3 0 1000.00 -999 ? >GLY.A 36 41.24 30.24 6.38 41.46 31.07 6.38 41.35 30.65 6.38 1 0 1000.00 -999 ? >GLY.A 37 41.85 33.33 4.27 41.15 32.95 4.29 41.50 33.14 4.28 1 0 1000.00 -999 ? >LEU.A 38 40.89 35.09 -0.11 41.17 37.20 -0.35 41.03 36.15 -0.23 3 0 1000.00 -999 ? >PRO.A 39 36.58 33.38 -1.31 38.39 32.28 -0.62 37.49 32.83 -0.96 3 0 1000.00 -999 ? >GLU.A 40 40.87 28.07 -3.04 40.90 28.11 -0.92 40.88 28.09 -1.98 2 0 1000.00 -999 ? >PRO.A 41 40.15 31.39 -8.38 40.72 31.19 -6.23 40.43 31.29 -7.30 3 0 1000.00 -999 ? >HIS.A 42 38.17 35.35 -5.02 36.43 35.42 -6.20 37.30 35.38 -5.61 3 0 1000.00 -999 ? >HIS.A 43 45.17 36.45 -6.17 45.28 36.22 -8.25 45.22 36.33 -7.21 3 0 1000.00 -999 ? >LEU^A 44 43.56 41.53 -2.69 41.55 41.06 -1.99 42.55 41.29 -2.34 3 0 1000.00 -999 ? >TYR^A 45 47.46 42.53 -7.42 48.95 40.37 -8.40 48.21 41.45 -7.91 3 0 1000.00 -999 ? >ILE^A 46 46.41 46.62 -1.65 45.04 46.79 -1.35 45.73 46.71 -1.50 3 0 1000.00 -999 ? >THR^A 47 48.17 49.88 -4.39 48.73 50.15 -6.45 48.45 50.02 -5.42 2 0 1000.00 -999 ? >PHE^A 48 49.88 51.70 -0.05 52.18 50.46 0.96 51.03 51.08 0.46 3 0 1000.00 -999 ? >LYS^A 49 50.57 56.13 -1.61 51.40 60.98 -3.68 50.98 58.55 -2.65 2 0 1000.00 -999 ? >THR.A 50 53.69 55.52 0.49 55.54 54.51 0.06 54.61 55.01 0.27 2 0 1000.00 -999 ? >LYS.A 51 53.87 59.12 1.72 58.64 59.97 -0.69 56.25 59.54 0.52 2 0 1000.00 -999 ? >ALA.A 52 50.18 59.40 2.58 49.09 58.43 2.13 49.64 58.92 2.35 2 0 1000.00 -999 ? >ALA.A 53 49.85 60.27 6.27 49.08 61.45 6.87 49.46 60.86 6.57 2 0 1000.00 -999 ? >GLY.A 54 49.13 57.31 8.53 49.74 57.28 8.07 49.44 57.29 8.30 1 0 1000.00 -999 ? >VAL.A 55 51.27 54.73 6.72 51.80 55.04 4.61 51.53 54.89 5.66 3 0 1000.00 -999 ? >SER.A 56 54.11 53.14 8.62 52.79 52.14 10.38 53.45 52.64 9.50 2 0 1000.00 -999 ? >GLY.A 57 56.71 50.58 7.61 57.11 51.26 7.96 56.91 50.92 7.79 1 0 1000.00 -999 ? >PRO~A 58 59.93 47.60 7.53 59.72 49.81 7.66 59.83 48.70 7.59 3 0 1000.00 -999 ? >GLN~A 59 63.19 55.40 7.64 64.53 56.40 8.97 63.86 55.90 8.31 2 0 1000.00 -999 ? >ASP~A 60 65.21 49.99 4.69 64.01 48.43 5.49 64.61 49.21 5.09 2 0 1000.00 -999 ? >LEU~A 61 60.42 48.80 3.19 59.04 47.55 2.12 59.73 48.17 2.65 3 0 1000.00 -999 ? >LEU~A 62 58.97 53.83 3.59 57.20 53.48 4.76 58.09 53.65 4.17 3 0 1000.00 -999 ? >SER~A 63 62.45 54.79 0.90 63.72 55.33 2.90 63.08 55.06 1.90 2 0 1000.00 -999 ? >LYS~A 64 62.57 52.26 -1.94 64.12 46.30 -3.10 63.34 49.28 -2.52 2 0 1000.00 -999 ? >TYR~A 65 58.31 50.78 -3.10 59.18 48.29 -4.01 58.74 49.54 -3.55 3 0 1000.00 -999 ? >PRO.A 66 59.41 56.57 -5.37 58.95 56.33 -3.20 59.18 56.45 -4.29 3 0 1000.00 -999 ? >ASP.A 67 54.71 58.39 -5.12 54.68 57.44 -7.02 54.70 57.92 -6.07 2 0 1000.00 -999 ? >GLU^A 68 51.90 55.35 -6.99 49.93 55.36 -6.25 50.92 55.35 -6.62 2 0 1000.00 -999 ? >MET^A 69 53.57 50.74 -3.80 55.61 49.24 -0.41 54.59 49.99 -2.11 2 0 1000.00 -999 ? >THR^A 70 51.63 47.64 -4.71 50.68 47.18 -6.60 51.15 47.41 -5.65 2 0 1000.00 -999 ? >ILE^A 71 51.26 44.80 -0.95 51.00 45.68 0.21 51.13 45.24 -0.37 3 0 1000.00 -999 ? >VAL^A 72 49.77 41.27 -3.31 50.55 39.58 -4.48 50.16 40.43 -3.89 3 0 1000.00 -999 ? >LEU^A 73 46.67 39.95 0.01 47.07 41.47 1.48 46.87 40.71 0.75 3 0 1000.00 -999 ? >GLN.A 74 47.95 34.45 -4.30 48.23 34.72 -6.43 48.09 34.59 -5.36 2 0 1000.00 -999 ? >HIS.A 75 50.76 32.13 -3.32 49.85 31.63 -5.14 50.30 31.88 -4.23 3 0 1000.00 -999 ? >GLN.A 76 54.60 34.04 0.34 56.61 34.16 -0.35 55.60 34.10 0.00 2 0 1000.00 -999 ? >TYR.A 77 48.52 37.56 3.37 45.94 36.53 3.04 47.23 37.05 3.20 3 0 1000.00 -999 ? >TRP^A 78 52.19 33.90 7.95 54.54 34.89 4.94 53.37 34.40 6.45 3 0 1000.00 -999 ? >ASP^A 79 49.55 38.77 11.64 50.50 37.04 12.48 50.02 37.91 12.06 2 0 1000.00 -999 ? >LEU^A 80 45.51 40.05 7.18 44.64 41.36 5.72 45.07 40.71 6.45 3 0 1000.00 -999 ? >ALA^A 81 44.55 42.91 10.85 45.35 43.28 12.08 44.95 43.10 11.47 2 0 1000.00 -999 ? >PRO^A 82 40.80 43.16 8.60 42.32 44.57 9.42 41.56 43.86 9.01 3 0 1000.00 -999 ? >GLY.A 83 40.94 47.87 11.56 40.73 47.81 10.72 40.83 47.84 11.14 1 0 1000.00 -999 ? >GLU.A 84 36.32 49.61 12.67 34.80 48.54 11.58 35.56 49.08 12.13 2 0 1000.00 -999 ? >THR.A 85 40.27 53.04 9.46 40.31 54.36 11.16 40.29 53.70 10.31 2 0 1000.00 -999 ? >PHE^A 86 45.05 51.55 10.29 45.75 50.59 12.82 45.40 51.07 11.55 3 0 1000.00 -999 ? >PHE^A 87 45.02 47.06 5.52 46.26 47.44 3.02 45.64 47.25 4.27 3 0 1000.00 -999 ? >SER^A 88 48.24 46.19 8.93 48.13 45.82 11.35 48.18 46.01 10.14 2 0 1000.00 -999 ? >VAL^A 89 49.91 43.04 7.50 48.84 42.50 5.66 49.37 42.77 6.58 3 0 1000.00 -999 ? >THR^A 90 53.19 41.15 7.57 54.18 40.20 9.21 53.68 40.68 8.39 2 0 1000.00 -999 ? >LEU^A 91 54.38 41.50 3.11 52.43 41.95 2.31 53.41 41.72 2.71 3 0 1000.00 -999 ? >LYS^A 92 58.21 39.33 2.97 58.55 33.41 4.83 58.38 36.37 3.90 2 0 1000.00 -999 ? >PHE^A 93 59.41 43.45 1.50 56.82 44.51 1.75 58.11 43.98 1.62 3 0 1000.00 -999 ? >GLY.A 94 63.78 39.43 -0.13 63.19 39.25 0.47 63.48 39.34 0.17 1 0 1000.00 -999 ? >GLY.A 95 62.77 36.67 2.27 62.75 37.43 2.45 62.76 37.05 2.36 1 0 1000.00 -999 ? >GLN^A 96 65.12 39.95 5.08 65.91 38.88 6.73 65.52 39.41 5.91 2 0 1000.00 -999 ? >PRO^A 97 60.22 38.02 8.63 60.01 39.29 6.80 60.12 38.65 7.71 3 0 1000.00 -999 ? >LYS^A 98 58.17 43.12 7.57 63.18 44.65 6.28 60.68 43.88 6.93 2 0 1000.00 -999 ? >ARG^A 99 52.77 44.27 11.50 49.98 43.03 11.65 51.38 43.65 11.57 2 0 1000.00 -999 ? >LEU^A 100 52.83 47.29 5.74 54.22 47.76 4.18 53.53 47.52 4.96 3 0 1000.00 -999 ? >SER^A 101 50.08 49.75 8.21 50.00 49.58 10.60 50.04 49.67 9.41 2 0 1000.00 -999 ? >VAL^A 102 48.01 51.33 5.48 48.52 50.76 3.44 48.26 51.04 4.46 3 0 1000.00 -999 ? >PRO^A 103 46.64 55.22 6.59 45.68 53.38 5.75 46.16 54.30 6.17 3 0 1000.00 -999 ? >TYR.A 104 40.69 51.35 4.65 40.79 48.99 6.16 40.74 50.17 5.40 3 0 1000.00 -999 ? >ALA.A 105 42.54 56.69 2.62 42.64 57.81 3.64 42.59 57.25 3.13 2 0 1000.00 -999 ? >ALA.A 106 45.99 55.97 1.18 47.16 55.45 1.98 46.57 55.71 1.58 2 0 1000.00 -999 ? >LEU^A 107 43.37 52.56 -1.07 43.48 50.91 0.30 43.42 51.73 -0.38 3 0 1000.00 -999 ? >THR^A 108 44.65 54.29 -5.01 46.72 54.91 -5.17 45.69 54.60 -5.09 2 0 1000.00 -999 ? >ARG^A 109 45.41 49.17 -9.62 45.65 46.82 -11.59 45.53 47.99 -10.61 2 0 1000.00 -999 ? >PHE^A 110 40.58 46.42 -4.45 39.88 43.97 -3.27 40.23 45.19 -3.86 3 0 1000.00 -999 ? >TYR^A 111 43.22 43.97 -10.51 42.82 42.42 -12.83 43.02 43.20 -11.67 3 0 1000.00 -999 ? >ASP^A 112 40.10 40.45 -7.13 40.01 38.36 -6.69 40.05 39.40 -6.91 2 0 1000.00 -999 ? >PRO.A 113 44.84 39.64 -10.15 42.64 39.40 -10.38 43.74 39.52 -10.26 3 0 1000.00 -999 ? >SER.A 114 40.42 36.05 -10.49 41.26 34.58 -8.77 40.84 35.31 -9.63 2 0 1000.00 -999 ? >VAL.A 115 37.21 37.83 -11.47 36.18 37.67 -9.54 36.69 37.75 -10.50 3 0 1000.00 -999 ? >GLN.A 116 39.68 39.77 -15.18 39.06 39.32 -17.16 39.37 39.54 -16.17 2 0 1000.00 -999 ? >PHE^A 117 35.84 43.84 -8.55 34.71 46.05 -7.25 35.28 44.94 -7.90 3 0 1000.00 -999 ? >ALA^A 118 39.10 46.50 -10.17 39.99 46.79 -11.38 39.54 46.64 -10.77 2 0 1000.00 -999 ? >LEU^A 119 38.20 49.74 -6.97 36.23 49.19 -6.28 37.22 49.47 -6.62 3 0 1000.00 -999 ? >GLN^A 120 41.28 52.48 -11.13 41.44 53.06 -13.20 41.36 52.77 -12.16 2 0 1000.00 -999 ? >PHE.A 121 39.95 54.10 -4.34 38.85 51.58 -3.85 39.40 52.84 -4.10 3 0 1000.00 -999 ? >SER.A 122 42.10 59.25 -5.14 44.18 60.17 -4.27 43.14 59.71 -4.71 2 0 1000.00 -999 ? >ALA.A 123 41.47 60.06 -8.80 41.76 58.95 -9.82 41.61 59.51 -9.31 2 0 1000.00 -999 ? >PRO.A 124 40.59 64.33 -8.64 39.47 62.46 -9.11 40.03 63.40 -8.88 3 0 1000.00 -999 ? >GLU.A 125 39.32 60.42 -13.20 41.32 59.98 -13.76 40.32 60.20 -13.48 2 0 1000.00 -999 ? >HIS.B 6 50.99 42.49 -11.99 52.17 41.09 -13.02 51.58 41.79 -12.51 3 0 1000.00 -999 ? >GLY.B 7 53.79 44.93 -10.03 53.20 44.76 -9.57 53.50 44.84 -9.80 1 0 1000.00 -999 ? >ALA.B 8 53.69 43.76 -6.41 53.15 42.42 -5.94 53.42 43.09 -6.17 2 0 1000.00 -999 ? >ALA.B 9 56.63 44.75 -4.19 56.64 46.03 -3.39 56.63 45.39 -3.79 2 0 1000.00 -999 ? >ASN.B 10 55.40 41.73 -0.62 53.46 41.29 -1.37 54.43 41.51 -1.00 2 0 1000.00 -999 ? >ASP.B 11 58.45 37.38 -1.36 60.38 38.29 -0.98 59.41 37.83 -1.17 2 0 1000.00 -999 ? >ASN.B 12 53.68 36.94 -4.42 51.70 36.11 -4.57 52.69 36.52 -4.49 2 0 1000.00 -999 ? >PHE.B 13 57.68 30.91 -5.63 58.06 28.47 -6.93 57.87 29.69 -6.28 3 0 1000.00 -999 ? >ALA.B 14 53.46 29.93 -4.16 52.49 29.38 -5.20 52.97 29.66 -4.68 2 0 1000.00 -999 ? >GLU.B 15 56.15 28.34 -0.95 57.90 27.46 -1.81 57.03 27.90 -1.38 2 0 1000.00 -999 ?