REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-JUL-06 2HUJ COMPND LIN2004 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA; SOURCE 3 ORGANISM_TAXID: 1642; SOURCE 4 GENE: NP_471338.1; 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 1 8 HET MSE A 37 8 HET MSE A 81 8 >TYR~A -3 23.79 83.94 8.14 24.80 83.91 10.73 24.30 83.93 9.43 3 0 1000.00 -999 ? >PHE~A -2 19.24 82.18 9.33 18.90 84.46 10.96 19.07 83.32 10.14 3 0 1000.00 -999 ? >GLN~A -1 19.35 77.74 3.99 19.01 77.47 1.88 19.18 77.60 2.94 2 0 1000.00 -999 ? >GLY~A 0 24.79 77.43 6.16 24.25 77.54 6.80 24.52 77.48 6.48 1 0 1000.00 -999 ? >MET?A 1 24.82 77.98 9.93 26.98 80.17 11.16 25.90 79.08 10.54 2 0 1000.00 -999 ? >GLU~A 2 19.97 74.11 10.52 19.82 74.15 12.63 19.89 74.13 11.58 2 0 1000.00 -999 ? >LEU~A 3 24.62 73.10 6.72 25.25 71.48 5.42 24.94 72.29 6.07 3 0 1000.00 -999 ? >LEU~A 4 28.02 75.04 10.45 30.10 75.37 11.05 29.06 75.20 10.75 3 0 1000.00 -999 ? >ILE~A 5 24.41 73.62 14.04 23.75 74.41 15.04 24.08 74.01 14.54 3 0 1000.00 -999 ? >ARG~A 6 20.85 69.98 10.46 17.80 70.37 10.22 19.32 70.17 10.34 2 0 1000.00 -999 ? >THR~A 7 27.76 68.70 10.73 28.94 69.40 9.04 28.35 69.05 9.89 2 0 1000.00 -999 ? >GLU~A 8 30.17 71.52 14.36 30.03 73.51 14.99 30.10 72.52 14.67 2 0 1000.00 -999 ? >GLN~A 9 24.04 66.40 16.21 23.50 67.03 18.13 23.77 66.71 17.17 2 0 1000.00 -999 ? >LEU~A 10 26.83 64.33 11.75 26.25 62.54 10.60 26.54 63.44 11.18 3 0 1000.00 -999 ? >LEU~A 11 31.75 65.69 13.82 33.11 66.26 12.27 32.43 65.97 13.05 3 0 1000.00 -999 ? >LEU~A 12 29.23 65.13 18.46 29.56 65.63 20.56 29.39 65.38 19.51 3 0 1000.00 -999 ? >GLN~A 13 26.09 59.57 15.94 25.35 58.83 17.82 25.72 59.20 16.88 2 0 1000.00 -999 ? >ASN~A 14 31.43 60.22 13.77 32.82 58.95 12.75 32.13 59.59 13.26 2 0 1000.00 -999 ? >GLU~A 15 34.17 62.43 17.78 36.04 61.71 17.12 35.11 62.07 17.45 2 0 1000.00 -999 ? >LYS~A 16 30.46 58.55 20.33 25.21 61.81 21.75 27.83 60.18 21.04 2 0 1000.00 -999 ? >ASN~A 17 30.22 55.35 16.64 28.27 55.92 15.95 29.24 55.64 16.29 2 0 1000.00 -999 ? >TRP~A 18 37.53 56.72 18.28 38.79 53.44 16.50 38.16 55.08 17.39 3 0 1000.00 -999 ? >GLU~A 19 35.12 58.18 22.35 37.20 57.88 22.75 36.16 58.03 22.55 2 0 1000.00 -999 ? >LEU~A 20 30.24 53.22 22.28 28.62 52.10 23.16 29.43 52.66 22.72 3 0 1000.00 -999 ? >TYR~A 21 34.70 49.79 18.49 36.46 47.87 17.46 35.58 48.83 17.98 3 0 1000.00 -999 ? >LEU~A 22 37.65 52.50 22.20 39.00 52.99 20.56 38.33 52.75 21.38 3 0 1000.00 -999 ? >SER~A 23 35.28 50.86 25.63 32.90 51.47 25.79 34.09 51.17 25.71 2 0 1000.00 -999 ? >ASN~A 24 32.45 47.33 23.79 30.59 47.86 24.65 31.52 47.60 24.22 2 0 1000.00 -999 ? >ARG~A 25 39.30 47.20 20.18 42.36 46.99 19.74 40.83 47.10 19.96 2 0 1000.00 -999 ? >GLU~A 27 35.01 44.90 30.85 34.99 45.65 32.83 35.00 45.28 31.84 2 0 1000.00 -999 ? >GLU.A 28 31.01 42.48 25.39 30.58 43.83 23.78 30.80 43.15 24.59 2 0 1000.00 -999 ? >LYS.A 29 29.49 45.29 28.42 31.69 49.74 27.47 30.59 47.52 27.95 2 0 1000.00 -999 ? >PRO.A 30 26.18 43.33 30.52 26.80 43.73 28.40 26.49 43.53 29.46 3 0 1000.00 -999 ? >PHE.A 31 23.87 45.51 24.01 23.77 44.11 21.62 23.82 44.81 22.82 3 0 1000.00 -999 ? >ASP.A 32 18.69 45.83 26.98 16.74 45.20 26.55 17.72 45.51 26.76 2 0 1000.00 -999 ? >PHE.A 33 17.30 45.31 20.11 16.76 46.25 17.55 17.03 45.78 18.83 3 0 1000.00 -999 ? >TYR.A 34 13.50 46.83 22.67 12.55 45.31 20.51 13.03 46.07 21.59 3 0 1000.00 -999 ? >ASP~A 36 21.58 49.56 25.51 21.35 49.27 27.61 21.47 49.42 26.56 2 0 1000.00 -999 ? >MET?A 37 21.05 49.75 21.24 21.81 46.61 18.37 21.43 48.18 19.81 2 0 1000.00 -999 ? >LYS~A 38 17.83 50.99 19.58 12.83 52.70 18.60 15.33 51.84 19.09 2 0 1000.00 -999 ? >PRO~A 39 17.06 53.27 23.17 17.86 53.71 21.13 17.46 53.49 22.15 3 0 1000.00 -999 ? >PHE~A 40 24.10 54.51 20.65 26.69 55.51 20.19 25.40 55.01 20.42 3 0 1000.00 -999 ? >VAL~A 41 21.13 53.79 16.79 21.40 51.91 15.73 21.26 52.85 16.26 3 0 1000.00 -999 ? >ASP~A 42 16.74 55.88 17.40 15.40 54.25 17.03 16.07 55.06 17.22 2 0 1000.00 -999 ? >GLU~A 43 21.38 60.41 19.29 20.51 62.29 19.01 20.95 61.35 19.15 2 0 1000.00 -999 ? >ALA~A 44 22.62 58.33 15.19 23.49 57.07 15.11 23.06 57.70 15.15 2 0 1000.00 -999 ? >LYS~A 45 20.00 58.01 12.40 16.95 56.98 8.39 18.48 57.49 10.39 2 0 1000.00 -999 ? >ARG~A 46 17.24 63.49 16.57 19.39 65.63 17.23 18.31 64.56 16.90 2 0 1000.00 -999 ? >CYH~A 47 21.79 63.00 13.29 22.96 62.95 15.87 22.38 62.98 14.58 2 0 1000.00 -999 ? >ALA~A 48 22.46 61.56 9.83 22.69 60.10 9.47 22.58 60.83 9.65 2 0 1000.00 -999 ? >ASP~A 49 17.69 61.79 8.87 17.40 59.69 8.48 17.54 60.74 8.67 2 0 1000.00 -999 ? >ASP~A 50 19.30 66.27 11.30 17.56 66.02 12.48 18.43 66.15 11.89 2 0 1000.00 -999 ? >PHE~A 51 24.93 65.93 7.60 27.07 66.33 5.85 26.00 66.13 6.72 3 0 1000.00 -999 ? >LEU~A 52 21.16 63.65 4.49 22.56 62.10 3.98 21.86 62.87 4.23 3 0 1000.00 -999 ? >GLU~A 53 16.14 68.13 5.66 15.11 68.81 7.38 15.63 68.47 6.52 2 0 1000.00 -999 ? >LEU~A 54 20.87 71.09 5.59 19.42 72.23 6.70 20.14 71.66 6.15 3 0 1000.00 -999 ? >ALA~A 55 23.73 68.80 3.06 24.53 67.65 3.76 24.13 68.23 3.41 2 0 1000.00 -999 ? >ILE~A 56 21.39 66.10 -0.34 22.29 65.15 -0.83 21.84 65.62 -0.59 3 0 1000.00 -999 ? >PRO~A 57 18.90 70.05 0.12 20.82 69.90 -1.03 19.86 69.98 -0.46 3 0 1000.00 -999 ? >TRP~A 58 26.17 74.30 1.14 29.02 71.68 1.71 27.59 72.99 1.42 3 0 1000.00 -999 ? >VAL~A 59 26.29 70.07 -2.09 27.03 67.99 -2.23 26.66 69.03 -2.16 3 0 1000.00 -999 ? >ASN~A 60 23.09 69.31 -5.62 23.43 67.20 -5.39 23.26 68.26 -5.50 2 0 1000.00 -999 ? >THR~A 61 23.82 73.97 -5.33 22.23 74.40 -3.96 23.02 74.18 -4.64 2 0 1000.00 -999 ? >GLU~A 62 26.31 76.16 -1.60 25.85 78.09 -2.33 26.08 77.13 -1.96 2 0 1000.00 -999 ? >PRO.A 64 30.52 71.31 -1.66 31.35 72.60 -3.27 30.94 71.96 -2.46 3 0 1000.00 -999 ? >PRO.A 65 36.12 73.70 -3.52 34.82 71.89 -3.86 35.47 72.79 -3.69 3 0 1000.00 -999 ? >TYR.A 66 38.37 68.30 -4.84 40.42 69.71 -6.14 39.39 69.00 -5.49 3 0 1000.00 -999 ? >LEU.A 67 32.49 67.60 -1.62 31.85 66.85 0.30 32.17 67.22 -0.66 3 0 1000.00 -999 ? >GLY~A 68 29.31 65.37 -3.99 29.53 65.06 -3.28 29.42 65.21 -3.64 1 0 1000.00 -999 ? >GLU~A 69 23.83 62.77 -3.18 21.96 63.03 -4.14 22.89 62.90 -3.66 2 0 1000.00 -999 ? >LEU~A 70 27.94 59.10 -3.97 27.89 56.89 -3.93 27.92 58.00 -3.95 3 0 1000.00 -999 ? >GLN~A 71 32.54 61.56 -2.03 33.45 63.24 -2.97 33.00 62.40 -2.50 2 0 1000.00 -999 ? >LEU~A 72 27.34 63.78 1.66 28.20 65.74 1.93 27.77 64.76 1.80 3 0 1000.00 -999 ? >ARG~A 73 22.83 59.54 -0.79 20.20 61.08 -0.29 21.51 60.31 -0.54 2 0 1000.00 -999 ? >GLN~A 74 29.00 56.07 0.19 30.44 55.54 -1.21 29.72 55.81 -0.51 2 0 1000.00 -999 ? >ALA~A 75 29.82 59.19 5.32 30.20 60.66 5.28 30.01 59.92 5.30 2 0 1000.00 -999 ? >CYH~A 76 26.33 58.91 6.87 25.23 61.44 6.48 25.78 60.18 6.68 2 0 1000.00 -999 ? >ASP~A 77 26.24 54.48 4.80 24.78 54.81 3.31 25.51 54.65 4.05 2 0 1000.00 -999 ? >ASN~A 78 30.55 55.43 7.80 31.45 55.10 5.90 31.00 55.26 6.85 2 0 1000.00 -999 ? >VAL~A 79 27.82 56.37 11.12 27.56 58.45 11.73 27.69 57.41 11.42 3 0 1000.00 -999 ? >GLN~A 80 22.69 52.78 10.54 20.81 52.91 9.55 21.75 52.84 10.04 2 0 1000.00 -999 ? >MET?A 81 27.01 50.91 10.64 28.86 50.33 6.88 27.93 50.62 8.76 2 0 1000.00 -999 ? >THR~A 82 29.49 51.87 13.37 30.86 53.35 12.56 30.18 52.61 12.96 2 0 1000.00 -999 ? >ALA~A 83 26.65 52.77 15.77 25.48 53.69 15.48 26.07 53.23 15.62 2 0 1000.00 -999 ? >VAL~A 84 25.43 49.18 15.57 23.98 48.22 14.32 24.71 48.70 14.94 3 0 1000.00 -999 ? >SER~A 85 28.97 47.65 15.62 29.49 47.21 13.31 29.23 47.43 14.46 2 0 1000.00 -999 ? >ALA~A 86 30.03 49.77 18.61 29.64 51.17 18.85 29.84 50.47 18.73 2 0 1000.00 -999 ? >PHE.A 87 25.79 48.42 21.19 24.42 50.78 21.81 25.10 49.60 21.50 3 0 1000.00 -999 ? >ASN.A 88 30.00 43.78 18.76 31.10 41.97 18.47 30.55 42.88 18.62 2 0 1000.00 -999 ? >GLY.A 89 34.03 45.08 21.05 33.75 44.49 20.59 33.89 44.78 20.82 1 0 1000.00 -999 ? >ARG.A 90 34.93 38.85 20.87 34.39 38.95 23.94 34.66 38.90 22.40 2 0 1000.00 -999 ? >SER.A 91 34.01 44.04 15.71 31.88 45.13 15.95 32.94 44.58 15.83 2 0 1000.00 -999 ? >PHE~A 92 36.75 41.94 11.74 36.40 39.18 11.44 36.58 40.56 11.59 3 0 1000.00 -999 ? >TYR~A 93 41.05 47.95 15.65 42.07 50.40 16.34 41.56 49.18 15.99 3 0 1000.00 -999 ? >LYS~A 94 40.71 48.01 11.05 42.51 48.56 6.03 41.61 48.28 8.54 2 0 1000.00 -999 ? >HIS~A 95 36.82 45.80 8.19 37.63 44.50 6.75 37.23 45.15 7.47 3 0 1000.00 -999 ? >PHE~A 96 34.58 50.24 14.45 32.58 51.57 15.91 33.58 50.90 15.18 3 0 1000.00 -999 ? >LEU~A 97 40.20 51.98 12.40 41.94 53.23 12.67 41.07 52.61 12.54 3 0 1000.00 -999 ? >ASP~A 98 38.79 51.91 7.43 40.84 51.26 7.30 39.81 51.59 7.37 2 0 1000.00 -999 ? >HIS~A 99 33.47 51.77 8.00 33.35 50.42 6.39 33.41 51.09 7.19 3 0 1000.00 -999 ? >TYR~A 100 36.43 56.81 13.90 37.42 58.92 15.44 36.92 57.87 14.67 3 0 1000.00 -999 ? >GLN~A 101 40.24 57.17 11.13 42.33 56.76 11.09 41.28 56.96 11.11 2 0 1000.00 -999 ? >SER~A 102 36.46 58.18 6.61 35.24 57.49 4.62 35.85 57.84 5.61 2 0 1000.00 -999 ? >THR~A 103 33.45 59.92 8.17 31.61 59.27 9.04 32.53 59.59 8.60 2 0 1000.00 -999 ? >LYS~A 104 35.62 62.13 10.28 39.97 61.12 14.46 37.79 61.63 12.37 2 0 1000.00 -999 ? >TYR~A 105 39.65 61.65 7.11 41.74 60.40 8.52 40.69 61.02 7.81 3 0 1000.00 -999 ? >THR~A 106 34.60 64.01 5.06 33.38 62.80 3.76 33.99 63.40 4.41 2 0 1000.00 -999 ? >LEU~A 107 31.87 65.18 8.91 29.98 64.16 8.57 30.93 64.67 8.74 3 0 1000.00 -999 ? >THR~A 108 35.63 67.82 9.04 37.19 66.58 9.92 36.41 67.20 9.48 2 0 1000.00 -999 ? >VAL~A 110 32.56 70.21 5.37 30.60 69.28 4.96 31.58 69.74 5.16 3 0 1000.00 -999 ? >ARG~A 111 33.95 71.27 12.45 36.69 70.06 13.18 35.32 70.66 12.81 2 0 1000.00 -999 ? >ASP~A 112 37.43 72.89 7.78 38.16 71.87 9.50 37.80 72.38 8.64 2 0 1000.00 -999 ? >PHE~A 113 33.61 74.67 2.38 32.60 76.01 0.15 33.11 75.34 1.26 3 0 1000.00 -999 ? >LEU~A 114 30.51 75.34 6.87 28.88 74.51 5.70 29.70 74.93 6.29 3 0 1000.00 -999 ? >LYS~A 115 33.50 77.87 9.20 34.28 74.40 14.44 33.89 76.13 11.82 2 0 1000.00 -999 ? >ARG~A 116 38.97 78.18 4.93 37.68 77.05 2.32 38.33 77.61 3.63 2 0 1000.00 -999 ? >GLU~A 118 30.89 81.92 10.58 31.06 80.79 12.37 30.98 81.35 11.47 2 0 1000.00 -999 ? >SER.A 120 34.43 85.86 5.69 33.82 84.14 4.05 34.13 85.00 4.87 2 0 1000.00 -999 ?