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 mMETA 1 19.49 40.38 -1.30 18.94 41.04 -1.81 19.60 39.03 0.76 18.78 39.77 1.28 20.29 39.42 -0.55 21.68 39.97 -0.27 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 2 19.95 37.85 1.28 20.59 37.32 0.71 20.34 37.81 3.72 21.39 38.42 3.52 19.44 37.40 2.56 19.25 35.88 2.56 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 3 19.92 37.49 4.94 19.15 36.84 4.95 22.03 37.71 6.18 22.85 38.57 6.51 20.54 38.03 6.14 19.84 37.50 7.39 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 4 22.37 36.47 5.86 21.61 35.90 5.54 24.64 36.83 5.05 25.81 37.09 5.36 23.75 36.00 5.97 23.85 34.51 5.61 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 5 24.07 37.23 3.91 23.12 36.93 3.82 24.91 39.47 3.34 25.95 40.10 3.07 24.75 38.03 2.89 23.97 38.01 1.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 6 23.86 39.99 3.99 23.08 39.37 4.07 24.96 41.50 5.60 25.59 42.54 5.67 23.87 41.33 4.55 22.52 41.66 5.18 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 7 25.17 40.46 6.40 24.59 39.67 6.23 27.57 40.46 6.83 28.45 41.20 7.27 26.17 40.51 7.44 25.95 39.38 8.45 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 8 27.76 39.61 5.81 26.98 39.03 5.58 29.33 40.93 4.44 30.46 41.45 4.49 29.05 39.57 5.11 29.09 38.45 4.08 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 9 28.28 41.48 3.83 27.44 40.94 3.89 28.75 43.87 4.08 29.65 44.66 3.77 28.35 42.76 3.13 27.00 43.07 2.48 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 10 28.08 43.92 5.23 27.35 43.25 5.31 29.89 44.81 6.67 30.59 45.80 6.75 28.42 44.91 6.26 27.55 44.71 7.51 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 11 30.34 43.60 6.92 29.68 42.85 6.80 32.69 43.78 6.26 33.74 44.35 6.57 31.68 43.40 7.36 31.84 41.97 7.80 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 12 32.38 43.49 4.99 31.55 42.93 4.91 33.30 45.49 3.73 34.36 46.04 3.47 33.20 43.97 3.84 32.70 43.40 2.51 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 13 32.22 46.16 4.03 31.42 45.61 4.25 33.07 48.11 5.14 33.71 49.11 5.00 32.22 47.58 4.03 30.81 48.07 4.17 3 0 1000.00-999 ?-999 ?-999 ? mMETA 14 33.05 47.46 6.28 32.50 46.62 6.27 35.23 47.69 7.16 36.06 48.50 7.45 33.79 47.92 7.42 33.38 47.12 8.62 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 15 35.52 46.54 6.61 34.71 45.95 6.51 37.43 47.22 5.23 38.54 47.75 5.43 36.90 46.17 6.21 36.90 44.75 5.59 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 16 36.64 47.58 4.21 35.72 47.18 4.19 37.28 49.95 3.66 38.16 50.69 3.17 37.16 48.50 3.20 36.46 48.36 1.86 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 17 36.42 50.34 4.61 35.70 49.67 4.80 37.82 51.71 6.09 38.44 52.77 6.20 36.52 51.64 5.28 35.35 51.87 6.19 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 18 38.22 50.57 6.65 37.62 49.79 6.53 40.72 50.55 6.48 41.66 51.29 6.77 39.48 50.54 7.37 39.51 49.37 8.33 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 19 40.75 49.76 5.39 39.96 49.15 5.30 41.92 51.25 3.94 43.00 51.81 3.80 41.87 49.83 4.45 41.77 48.80 3.30 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 20 40.77 51.87 3.74 39.95 51.34 3.95 41.36 54.23 4.22 42.12 55.11 3.79 40.77 53.23 3.24 39.39 53.66 2.77 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 21 41.04 54.12 5.51 40.45 53.35 5.74 43.01 54.86 6.85 43.74 55.79 7.21 41.56 55.12 6.47 40.60 55.39 7.65 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 22 43.43 53.60 6.76 42.70 52.94 6.57 45.70 53.89 5.85 46.84 54.27 6.11 44.83 53.24 6.93 45.00 51.72 6.91 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 23 45.15 54.00 4.65 44.20 53.69 4.60 46.19 56.01 3.69 47.14 56.54 3.12 45.89 54.53 3.51 45.13 54.28 2.22 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 24 45.36 56.68 4.49 44.60 56.14 4.84 46.65 58.27 5.86 46.35 58.56 7.01 45.56 58.09 4.79 44.26 58.76 5.28 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 25 47.90 58.10 5.45 47.99 57.71 4.53 49.41 59.93 6.12 49.16 60.52 5.07 49.03 58.46 6.29 50.26 57.58 5.99 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 26 50.02 60.50 7.15 50.29 59.87 7.87 51.46 62.33 6.33 51.95 63.45 6.40 50.26 61.94 7.19 50.47 62.41 8.63 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 27 51.93 61.38 5.53 51.57 60.47 5.71 52.22 61.72 3.11 52.89 61.77 2.07 52.90 61.68 4.47 54.03 60.65 4.47 2 0 1000.00-999 ?-999 ?-999 ? mMETA 28 50.89 61.72 3.11 50.48 61.59 4.01 49.81 63.34 1.61 49.74 64.15 2.54 50.12 61.87 1.88 48.83 61.06 1.94 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 29 49.61 63.68 0.34 49.68 62.92 -0.31 47.94 65.51 0.44 46.96 64.80 0.23 49.32 65.05 -0.05 49.39 65.13 -1.58 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 30 47.85 66.72 1.06 48.73 67.16 1.19 45.38 67.15 0.57 44.30 66.85 1.05 46.59 67.33 1.50 46.94 68.82 1.61 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 31 45.56 67.32 -0.73 46.50 67.54 -0.99 43.89 65.80 -1.72 42.68 65.58 -1.60 44.46 67.21 -1.69 44.91 67.65 -3.09 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 32 44.80 64.83 -1.85 45.73 65.18 -1.96 43.93 63.00 -0.47 43.00 62.19 -0.38 44.47 63.41 -1.82 45.73 62.61 -2.12 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 33 44.51 63.56 0.59 45.25 64.19 0.39 42.62 63.68 2.11 41.83 62.94 2.66 44.05 63.23 1.92 44.95 63.84 2.98 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 34 42.29 64.89 1.65 43.06 65.40 1.26 39.97 64.53 0.90 38.87 64.25 1.36 40.93 65.39 1.72 40.85 66.84 1.29 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 35 40.38 64.09 -0.29 41.30 64.40 -0.56 39.33 61.93 -0.42 38.19 61.47 -0.27 39.53 63.23 -1.12 40.15 62.94 -2.48 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 36 40.44 61.34 0.04 41.28 61.85 -0.13 39.40 60.07 1.91 38.68 59.09 2.12 40.38 60.06 0.74 41.75 59.60 1.18 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 37 39.36 61.17 2.66 40.02 61.87 2.38 36.98 61.38 3.31 36.06 60.88 3.98 38.43 61.33 3.79 38.75 62.60 4.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 38 36.78 61.98 2.14 37.60 62.38 1.74 35.00 60.60 1.22 33.88 60.22 1.54 35.47 62.03 1.53 35.56 62.88 0.26 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 39 35.88 59.80 0.65 36.76 60.24 0.45 35.25 57.56 1.56 34.32 56.75 1.54 35.58 58.41 0.34 36.76 57.79 -0.37 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 40 35.99 57.74 2.64 36.74 58.39 2.53 34.31 57.41 4.44 33.54 56.54 4.84 35.68 57.03 3.88 36.79 57.22 4.96 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 41 34.00 58.71 4.48 34.73 59.31 4.17 31.52 58.52 4.14 30.44 58.27 4.67 32.68 59.17 4.94 32.59 60.68 4.87 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 42 31.79 58.24 2.86 32.71 58.51 2.57 30.62 56.12 2.19 29.51 55.62 2.12 30.82 57.60 1.97 31.21 57.82 0.52 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 43 31.72 55.42 2.42 32.57 55.93 2.33 30.99 53.93 4.13 30.06 53.14 4.29 31.66 54.02 2.78 33.04 53.39 2.81 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 44 31.39 54.75 5.10 32.13 55.39 4.86 29.20 54.93 6.30 28.38 54.30 6.96 30.71 54.65 6.40 31.41 55.42 7.63 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 45 28.83 55.86 5.44 29.58 56.34 4.98 26.68 54.85 4.75 25.52 54.62 5.08 27.41 56.12 5.22 27.26 57.22 4.19 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 46 27.37 54.03 3.98 28.30 54.33 3.77 26.73 51.69 4.56 25.76 50.91 4.58 26.79 52.77 3.49 27.52 52.25 2.25 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 47 27.76 51.62 5.41 28.54 52.20 5.17 26.52 51.07 7.46 25.77 50.15 7.79 27.75 50.76 6.60 29.02 50.91 7.47 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 48 26.29 52.35 7.78 26.94 53.00 7.39 23.85 52.26 8.04 22.98 51.71 8.73 25.16 52.72 8.63 25.10 54.22 8.83 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 49 23.73 52.49 6.75 24.52 52.92 6.33 22.32 50.59 5.90 21.18 50.10 5.85 22.54 52.13 6.01 22.65 52.84 4.68 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 50 23.41 49.82 5.88 24.27 50.33 5.87 22.98 47.87 7.26 22.26 46.87 7.42 23.33 48.35 5.88 24.68 47.74 5.44 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 51 23.48 48.56 8.28 24.13 49.28 8.03 21.58 48.36 9.80 20.99 47.53 10.48 23.09 48.26 9.63 23.79 49.18 10.60 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 52 20.97 49.36 9.17 21.57 50.00 8.70 18.84 48.31 8.50 17.85 47.78 9.01 19.51 49.48 9.20 19.04 50.78 8.58 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 53 19.37 47.90 7.34 20.16 48.43 7.02 18.84 45.51 7.52 17.88 44.72 7.56 18.81 46.76 6.62 19.55 46.53 5.34 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 54 19.93 45.34 8.27 20.60 46.07 8.17 19.10 44.24 10.31 18.51 43.22 10.67 20.10 44.20 9.16 21.54 44.14 9.67 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 55 18.93 45.42 10.89 19.51 46.15 10.51 16.56 45.36 11.50 15.81 44.66 12.17 17.99 45.64 11.98 18.13 47.06 12.53 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 56 16.21 45.89 10.33 16.91 46.47 9.92 14.71 44.13 9.51 13.66 43.61 9.88 14.93 45.62 9.71 14.79 46.36 8.40 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 57 15.68 43.41 8.95 16.51 43.92 8.71 15.35 41.21 10.02 14.51 40.33 10.10 15.50 41.97 8.72 16.60 41.34 7.87 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 58 16.16 41.53 11.03 16.80 42.28 10.84 14.78 41.11 13.00 14.07 40.19 13.42 16.09 40.81 12.30 17.25 41.15 13.21 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 59 14.46 42.40 13.09 15.15 43.01 12.70 11.96 42.26 13.10 11.07 41.84 13.85 13.23 42.86 13.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL~A 60 11.87 42.22 11.77 12.67 42.54 11.27 10.34 40.31 11.51 9.18 39.98 11.75 10.65 41.74 11.14 10.67 41.87 9.62 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 61 11.35 39.45 11.58 12.26 39.79 11.34 10.82 37.98 13.52 10.04 37.11 13.97 11.03 38.09 12.00 12.01 37.05 11.43 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 62 11.45 38.86 14.31 12.11 39.43 13.81 9.73 39.32 16.05 9.10 38.76 16.96 11.19 38.97 15.77 12.04 40.07 16.43 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 63 9.24 40.26 15.25 9.89 40.54 14.54 6.88 39.83 14.92 5.92 39.57 15.65 7.93 40.83 15.37 7.89 42.14 14.55 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 64 7.07 39.25 13.74 7.92 39.52 13.29 5.92 37.15 14.13 4.80 36.67 14.30 6.13 38.30 13.17 6.67 37.78 11.84 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 65 6.99 36.76 14.79 7.79 37.34 14.66 6.24 35.92 16.91 5.95 35.05 17.71 6.96 35.59 15.63 8.39 35.18 15.95 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 66 5.97 37.19 17.12 6.16 37.81 16.36 4.02 37.94 18.20 3.19 37.58 18.99 5.45 37.59 18.39 6.19 38.81 18.91 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 67 3.74 38.64 17.13 4.51 39.11 16.70 1.77 37.34 16.66 0.74 37.13 17.25 2.40 38.71 16.65 2.40 39.27 15.27 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 68 2.39 36.39 15.99 3.26 36.65 15.58 1.43 34.70 17.30 0.36 34.22 17.57 1.80 35.08 15.90 2.81 34.08 15.38 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 69 2.36 34.84 18.22 3.19 35.31 17.92 1.21 35.13 20.43 1.05 34.84 21.59 2.15 34.33 19.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 70 0.61 36.16 19.88 0.78 36.28 18.90 -1.61 36.90 20.09 -2.50 37.62 20.47 -0.25 37.01 20.66 0.19 38.46 20.55 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 71 -1.76 36.01 19.14 -0.97 35.44 18.93 -4.04 35.13 19.29 -3.69 34.14 19.90 -3.04 35.92 18.48 -2.91 35.35 17.10 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 72 -5.28 35.61 19.28 -5.37 36.47 18.79 -7.03 35.76 21.06 -6.35 36.28 21.94 -6.39 34.94 19.95 -5.98 33.57 20.48 3 0 1000.00-999 ?-999 ?-999 ?