REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-SEP-07 2R9I COMPND PUTATIVE PHAGE CAPSID PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN: RESIDUES 1-138; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE NCTC 13129; SOURCE 3 ORGANISM_TAXID: 257309; SOURCE 4 STRAIN: NCTC 13129 / BIOTYPE GRAVIS; SOURCE 5 ATCC: 700971; SOURCE 6 GENE: DIP0205; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.WU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 2 (MCSG) HET MSE A 1 8 HET MSE A 14 8 HET MSE A 28 8 >MET?A 1 20.29 39.42 -0.55 23.50 42.17 0.25 21.89 40.79 -0.15 2 0 1000.00 -999 ? >ASN~A 2 19.25 35.88 2.56 21.06 34.77 2.60 20.15 35.33 2.58 2 0 1000.00 -999 ? >LEU~A 3 19.84 37.50 7.39 19.81 38.57 9.28 19.83 38.03 8.34 3 0 1000.00 -999 ? >LYS~A 4 23.75 36.00 5.97 22.62 29.73 6.89 23.19 32.87 6.43 2 0 1000.00 -999 ? >ASP~A 5 23.97 38.01 1.57 23.80 36.06 0.69 23.88 37.04 1.13 2 0 1000.00 -999 ? >LEU~A 6 22.52 41.66 5.18 21.12 43.10 4.36 21.82 42.38 4.77 3 0 1000.00 -999 ? >LEU~A 7 25.95 39.38 8.45 24.51 39.32 10.13 25.23 39.35 9.29 3 0 1000.00 -999 ? >ALA~A 8 29.05 39.57 5.11 29.09 38.45 4.08 29.07 39.01 4.60 2 0 1000.00 -999 ? >HIS~A 9 27.00 44.34 1.70 27.10 46.05 0.48 27.05 45.20 1.09 3 0 1000.00 -999 ? >ARG~A 10 28.46 45.89 9.54 29.45 47.71 11.82 28.95 46.80 10.68 2 0 1000.00 -999 ? >GLU~A 11 33.25 41.59 8.11 33.31 39.59 8.81 33.28 40.59 8.46 2 0 1000.00 -999 ? >ASN~A 12 32.70 43.40 2.51 32.94 41.29 2.34 32.82 42.35 2.43 2 0 1000.00 -999 ? >LEU~A 13 30.81 48.07 4.17 29.67 48.01 2.36 30.24 48.04 3.27 3 0 1000.00 -999 ? >MET?A 14 33.79 47.92 7.42 33.59 49.05 10.36 33.69 48.49 8.89 2 0 1000.00 -999 ? >ASP~A 15 36.90 44.75 5.59 38.89 43.90 5.32 37.90 44.33 5.46 2 0 1000.00 -999 ? >SER~A 16 37.16 48.50 3.20 35.15 48.76 1.95 36.15 48.63 2.57 2 0 1000.00 -999 ? >ALA~A 17 36.52 51.64 5.28 35.35 51.87 6.19 35.94 51.76 5.74 2 0 1000.00 -999 ? >LYS~A 18 39.48 50.54 7.37 37.70 47.31 12.35 38.59 48.92 9.86 2 0 1000.00 -999 ? >ARG~A 19 41.82 46.17 2.69 41.82 43.03 2.41 41.82 44.60 2.55 2 0 1000.00 -999 ? >ALA~A 20 40.77 53.23 3.24 39.39 53.66 2.77 40.08 53.44 3.00 2 0 1000.00 -999 ? >ARG~A 21 41.24 56.16 9.97 43.61 57.95 10.91 42.43 57.05 10.44 2 0 1000.00 -999 ? >SER~A 22 44.83 53.24 6.93 44.69 51.16 8.17 44.76 52.20 7.55 2 0 1000.00 -999 ? >ALA~A 23 45.89 54.53 3.51 45.13 54.28 2.22 45.51 54.41 2.87 2 0 1000.00 -999 ? >ILE~A 24 44.26 58.76 5.28 43.11 59.54 5.15 43.69 59.15 5.21 3 0 1000.00 -999 ? >THR.A 25 49.03 58.46 6.29 50.27 56.88 5.51 49.65 57.67 5.90 2 0 1000.00 -999 ? >ASP.A 26 50.47 62.41 8.63 52.03 61.37 9.60 51.25 61.89 9.11 2 0 1000.00 -999 ? >ASP.A 27 54.03 60.65 4.47 53.42 58.78 3.69 53.72 59.72 4.08 2 0 1000.00 -999 ? >MET?A 28 50.12 61.87 1.88 46.38 60.04 0.78 48.25 60.96 1.33 2 0 1000.00 -999 ? >ASP~A 29 49.39 65.13 -1.58 49.40 67.09 -2.29 49.40 66.11 -1.93 2 0 1000.00 -999 ? >PRO~A 30 48.38 68.95 1.17 47.22 67.02 1.28 47.80 67.98 1.22 3 0 1000.00 -999 ? >ALA~A 31 44.46 67.21 -1.69 44.91 67.65 -3.09 44.69 67.43 -2.39 2 0 1000.00 -999 ? >ASP~A 32 45.73 62.61 -2.12 46.41 62.93 -4.10 46.07 62.77 -3.11 2 0 1000.00 -999 ? >ALA~A 33 44.05 63.23 1.92 44.95 63.84 2.98 44.50 63.53 2.45 2 0 1000.00 -999 ? >ALA~A 34 40.93 65.39 1.72 40.85 66.84 1.29 40.89 66.12 1.51 2 0 1000.00 -999 ? >GLN~A 35 39.26 62.11 -3.45 37.40 63.00 -4.14 38.33 62.56 -3.80 2 0 1000.00 -999 ? >ALA~A 36 40.38 60.06 0.74 41.75 59.60 1.18 41.06 59.83 0.96 2 0 1000.00 -999 ? >VAL~A 37 38.43 61.33 3.79 38.81 62.69 5.45 38.62 62.01 4.62 3 0 1000.00 -999 ? >GLU~A 38 34.35 63.77 0.01 33.73 64.86 1.74 34.04 64.31 0.87 2 0 1000.00 -999 ? >ASN~A 39 36.76 57.79 -0.37 37.22 58.84 -2.16 36.99 58.32 -1.27 2 0 1000.00 -999 ? >VAL~A 40 35.68 57.03 3.88 37.27 56.61 5.35 36.47 56.82 4.61 3 0 1000.00 -999 ? >LYS~A 41 32.68 59.17 4.94 34.34 64.09 7.49 33.51 61.63 6.21 2 0 1000.00 -999 ? >SER~A 42 30.82 57.60 1.97 30.50 58.96 0.06 30.66 58.28 1.01 2 0 1000.00 -999 ? >ILE~A 43 33.04 53.39 2.81 34.02 52.43 2.37 33.53 52.91 2.59 3 0 1000.00 -999 ? >ILE~A 44 31.41 55.42 7.63 31.25 56.04 8.16 31.33 55.73 7.89 3 0 1000.00 -999 ? >SER~A 45 27.41 56.12 5.22 25.93 57.65 4.19 26.67 56.88 4.70 2 0 1000.00 -999 ? >GLU~A 46 27.28 53.04 0.99 25.23 53.30 0.47 26.25 53.17 0.73 2 0 1000.00 -999 ? >ILE~A 47 29.02 50.91 7.47 30.22 50.59 7.96 29.62 50.75 7.71 3 0 1000.00 -999 ? >GLU~A 48 26.11 54.74 9.81 26.11 56.85 9.92 26.11 55.80 9.87 2 0 1000.00 -999 ? >SER~A 49 22.54 52.13 6.01 21.91 52.15 3.72 22.23 52.14 4.87 2 0 1000.00 -999 ? >THR~A 50 23.33 48.35 5.88 24.81 47.15 4.83 24.07 47.75 5.35 2 0 1000.00 -999 ? >ASP~A 51 23.79 49.18 10.60 25.73 48.52 11.06 24.76 48.85 10.83 2 0 1000.00 -999 ? >GLU~A 52 19.45 51.99 9.39 19.09 53.83 8.34 19.27 52.91 8.86 2 0 1000.00 -999 ? >ALA~A 53 18.81 46.76 6.62 19.55 46.53 5.34 19.18 46.65 5.98 2 0 1000.00 -999 ? >ILE~A 54 21.54 44.14 9.67 22.80 43.53 9.87 22.17 43.84 9.77 3 0 1000.00 -999 ? >ALA~A 55 17.99 45.64 11.98 18.13 47.06 12.53 18.06 46.35 12.26 2 0 1000.00 -999 ? >ALA~A 56 14.93 45.62 9.71 14.79 46.36 8.40 14.86 45.99 9.06 2 0 1000.00 -999 ? >ARG~A 57 17.68 41.17 5.59 16.43 41.13 2.77 17.05 41.15 4.18 2 0 1000.00 -999 ? >ARG~A 58 19.63 40.80 13.73 22.70 40.61 13.79 21.16 40.71 13.76 2 0 1000.00 -999 ? >GLY~A 59 13.23 42.86 13.70 13.21 42.33 13.09 13.22 42.59 13.40 1 0 1000.00 -999 ? >VAL~A 60 10.65 41.74 11.14 9.99 41.99 9.09 10.32 41.87 10.11 3 0 1000.00 -999 ? >SER~A 61 11.03 38.09 12.00 13.28 37.21 11.99 12.15 37.65 12.00 2 0 1000.00 -999 ? >ASP~A 62 12.04 40.07 16.43 14.07 39.51 16.71 13.06 39.79 16.57 2 0 1000.00 -999 ? >VAL~A 63 7.93 40.83 15.37 7.41 42.83 14.65 7.67 41.83 15.01 3 0 1000.00 -999 ? >THR~A 64 6.13 38.30 13.17 6.26 37.80 11.10 6.19 38.05 12.14 2 0 1000.00 -999 ? >GLN~A 65 8.59 33.68 16.12 8.00 32.52 14.43 8.29 33.10 15.28 2 0 1000.00 -999 ? >LYS~A 66 5.45 37.59 18.39 6.69 38.98 22.65 6.07 38.29 20.52 2 0 1000.00 -999 ? >LEU~A 67 2.40 39.27 15.27 2.26 41.34 15.54 2.33 40.30 15.40 3 0 1000.00 -999 ? >LYS~A 68 1.80 35.08 15.90 5.12 32.30 11.39 3.46 33.69 13.65 2 0 1000.00 -999 ? >GLY~A 69 2.15 34.33 19.56 1.79 34.98 19.33 1.97 34.65 19.44 1 0 1000.00 -999 ? >LEU.A 70 0.19 38.46 20.55 1.23 39.55 22.07 0.71 39.00 21.31 3 0 1000.00 -999 ? >THR.A 71 -3.04 35.92 18.48 -3.35 35.63 16.43 -3.19 35.78 17.46 2 0 1000.00 -999 ? >ILE.A 72 -5.98 33.57 20.48 -6.26 32.28 21.02 -6.12 32.92 20.75 3 0 1000.00 -999 ?