HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-JUL-06 2DT4 COMPND HYPOTHETICAL PROTEIN PH0802; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PLANT- AND PROKARYOTE-CONSERVED PROTEIN, PPC PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET22B AUTHOR L.LIN,H.NAKANO,S.UCHIYAMA,S.FUJIMOTO,S.MATSUNAGA,S.NAKAMURA HET GOL A1144 6 SITE 1 AC1 9 GLY A 44 THR A 45 PHE A 54 TYR A 61 mMET.A 1 20.09 44.93 77.31 19.87 45.65 77.97 19.13 43.20 75.86 18.28 42.86 76.69 20.42 43.85 76.34 21.48 42.90 76.83 2 0 22.32-999 ?-999 ?-999 ? O3 GOL A1144 mVAL.A 2 19.08 42.86 74.59 19.90 43.11 74.08 17.94 40.70 74.49 18.94 40.02 74.30 17.92 42.17 74.05 17.91 42.29 72.51 3 0 19.06-999 ?-999 ?-999 ? O3 GOL A1144 mTHR.A 3 16.86 40.22 75.08 16.19 40.91 75.34 15.62 38.15 74.49 15.63 36.95 74.33 16.71 38.79 75.32 16.44 38.47 76.79 2 0 20.03-999 ?-999 ?-999 ? O3 GOL A1144 mGLY.A 4 14.65 38.92 74.04 14.75 39.90 74.25 12.54 37.63 74.11 11.61 37.08 73.53 13.55 38.39 73.29-999.99-999.99-999.99 1 0 17.20-999 ?-999 ?-999 ? O3 GOL A1144 mMET.A 5 12.70 37.58 75.44 13.45 38.14 75.80 10.77 37.69 76.96 11.07 38.78 77.50 11.81 36.78 76.29 12.60 35.96 77.32 2 0 20.09-999 ?-999 ?-999 ? O3 GOL A1144 mPHE^A 6 9.52 37.22 76.92 9.46 36.31 76.50 7.46 37.03 78.23 7.48 35.81 78.08 8.37 37.95 77.43 7.55 38.54 76.26 3 0 20.70-999 ?-999 ?-999 ? O3 GOL A1144 mSER^A 7 6.63 37.65 79.06 6.79 38.63 79.18 4.28 37.06 78.94 4.08 38.01 78.15 5.57 36.92 79.73 5.35 37.41 81.17 2 0 23.41-999 ?-999 ?-999 ? O3 GOL A1144 mLEU^A 8 3.39 36.12 79.16 3.66 35.44 79.84 1.15 37.06 79.16 0.82 36.84 80.34 2.11 36.12 78.43 1.53 34.70 78.33 3 0 23.15-999 ?-999 ?-999 ? O3 GOL A1144 mGLY^A 9 0.75 38.11 78.47 1.21 38.24 77.60 -1.67 38.55 78.57 -1.96 37.35 78.50 -0.29 38.99 78.96-999.99-999.99-999.99 1 0 23.85-999 ?-999 ?-999 ? O3 GOL A1144 mARG^A 10 -2.52 39.53 78.31 -2.12 40.44 78.36 -4.04 38.60 76.64 -3.22 38.83 75.74 -3.92 39.29 77.99 -4.70 40.61 78.03 2 0 24.61-999 ?-999 ?-999 ? O3 GOL A1144 mTHR^A 11 -5.06 37.77 76.54 -5.63 37.78 77.36 -6.73 37.25 74.81 -7.68 37.40 75.57 -5.32 36.93 75.37 -5.25 35.47 75.79 2 0 23.72-999 ?-999 ?-999 ? O3 GOL A1144 mTYR^A 12 -6.86 37.36 73.48 -6.02 37.16 72.97 -8.41 36.95 71.57 -7.51 36.51 70.86 -8.10 37.74 72.85 -8.08 39.22 72.46 3 0 23.58-999 ?-999 ?-999 ? O3 GOL A1144 mLEU^A 13 -9.70 36.78 71.31 -10.30 37.14 72.03 -11.50 36.85 69.78 -12.39 36.89 70.63 -10.20 36.15 70.10 -10.43 34.64 70.31 3 0 23.91-999 ?-999 ?-999 ? O3 GOL A1144 mPHE^A 14 -11.59 37.43 68.58 -10.84 37.23 67.96 -12.96 38.38 66.76 -12.04 38.14 65.94 -12.73 38.29 68.25 -12.56 39.70 68.84 3 0 24.66-999 ?-999 ?-999 ? O3 GOL A1144 mARG^A 15 -14.19 38.76 66.43 -14.85 38.78 67.18 -14.56 40.61 64.91 -15.22 41.33 65.65 -14.54 39.12 65.08 -15.90 38.56 64.68 2 0 24.97-999 ?-999 ?-999 ? O3 GOL A1144 mVAL^A 16 -13.82 41.06 63.90 -13.32 40.35 63.41 -15.01 42.82 62.73 -15.34 42.12 61.79 -13.75 42.46 63.54 -12.48 42.72 62.69 3 0 23.54-999 ?-999 ?-999 ? O3 GOL A1144 mPRO.A 17 -15.70 43.92 63.07 -15.36 44.42 63.86 -16.63 44.51 60.80 -15.59 45.03 60.38 -16.88 44.32 62.29 -17.29 45.63 62.95 3 0 26.09-999 ?-999 ?-999 ? O2 GOL A1144 mGLU.A 18 -17.62 44.11 60.00 -18.35 43.62 60.48 -17.40 45.87 58.32 -18.04 46.75 58.93 -17.64 44.38 58.56 -18.97 43.94 57.94 2 0 25.98-999 ?-999 ?-999 ? O2 GOL A1144 mGLY.A 19 -16.54 46.13 57.33 -16.13 45.32 56.91 -15.09 48.20 57.61 -14.65 49.26 57.11 -16.24 47.49 56.93-999.99-999.99-999.99 1 0 24.72-999 ?-999 ?-999 ? O2 GOL A1144 mGLU.A 20 -14.54 47.59 58.66 -14.98 46.74 58.97 -12.21 47.96 58.34 -12.19 46.92 57.63 -13.37 48.19 59.28 -13.04 47.52 60.62 2 0 22.45-999 ?-999 ?-999 ? O2 GOL A1144 mGLU~A 21 -11.19 48.79 58.48 -11.36 49.57 59.08 -9.16 47.75 58.85 -9.05 48.18 60.00 -9.93 48.52 57.78 -9.17 49.77 57.37 2 0 18.97-999 ?-999 ?-999 ? O2 GOL A1144 mLEU~A 22 -8.75 46.53 58.47 -8.87 46.31 57.50 -7.00 46.14 60.33 -7.00 45.97 61.56 -8.17 45.62 59.46 -7.79 44.32 58.76 3 0 17.08-999 ?-999 ?-999 ? O2 GOL A1144 mLEU~A 23 -5.99 46.73 59.69 -6.10 46.79 58.70 -5.23 48.33 61.39 -4.81 48.35 62.56 -4.82 47.22 60.43 -3.65 47.69 59.53 3 0 14.68-999 ?-999 ?-999 ? O2 GOL A1144 mTHR~A 24 -6.10 49.21 60.90 -6.36 49.05 59.95 -7.34 49.80 62.90 -7.10 50.26 64.01 -6.61 50.31 61.69 -7.50 51.19 60.81 2 0 17.77-999 ?-999 ?-999 ? O2 GOL A1144 mTYR~A 25 -8.21 48.81 62.73 -8.29 48.48 61.79 -8.04 47.67 64.89 -8.19 47.91 66.07 -8.98 48.29 63.85 -9.99 47.24 63.38 3 0 19.94-999 ?-999 ?-999 ? O3 GOL A1144 mILE~A 26 -7.06 46.90 64.45 -6.96 46.85 63.46 -5.43 47.28 66.19 -5.31 47.16 67.40 -6.21 46.22 65.40 -5.27 45.16 64.74 3 0 17.59-999 ?-999 ?-999 ? O3 GOL A1144 mLYS~A 27 -4.95 48.33 65.52 -5.08 48.28 64.53 -5.17 50.11 67.24 -4.77 50.31 68.40 -4.27 49.45 66.19 -3.79 50.48 65.18 2 0 17.38-999 ?-999 ?-999 ? O3 GOL A1144 mASN~A 28 -6.41 50.43 66.84 -6.62 50.18 65.89 -7.74 50.20 68.93 -7.94 50.68 70.06 -7.34 51.09 67.74 -8.58 51.53 66.93 2 0 21.17-999 ?-999 ?-999 ? O3 GOL A1144 mPHE~A 29 -7.90 48.91 68.65 -7.85 48.69 67.68 -6.96 48.01 70.74 -7.20 48.08 71.96 -8.12 47.92 69.70 -8.28 46.52 69.11 3 0 21.79-999 ?-999 ?-999 ? O3 GOL A1144 mCYH~A 30 -5.72 47.94 70.28 -5.64 47.88 69.28 -4.53 49.30 71.92 -4.22 49.31 73.08 -4.58 47.96 71.17 -3.27 47.68 70.44 2 0 20.15-999 ?-999 ?-999 ? O3 GOL A1144 mLYS~A 31 -4.86 50.41 71.26 -5.09 50.29 70.30 -5.86 51.68 73.13 -5.53 52.13 74.25 -4.88 51.69 71.99 -5.16 52.85 71.04 2 0 22.18-999 ?-999 ?-999 ? O3 GOL A1144 mLYS~A 32 -7.05 51.17 72.87 -7.17 50.85 71.93 -7.67 50.20 75.02 -7.86 50.56 76.19 -8.09 51.08 73.86 -9.38 50.55 73.25 2 0 25.28-999 ?-999 ?-999 ? O3 GOL A1144 mGLU~A 33 -7.08 49.05 74.72 -6.92 48.92 73.74 -5.39 48.42 76.45 -5.02 47.74 77.41 -6.71 48.09 75.75 -6.59 46.69 75.14 2 0 24.86-999 ?-999 ?-999 ? O3 GOL A1144 mGLY~A 34 -4.66 49.40 75.96 -5.10 49.92 75.22 -2.34 48.53 76.17 -1.49 48.18 77.00 -3.33 49.66 76.47-999.99-999.99-999.99 1 0 23.89-999 ?-999 ?-999 ? O3 GOL A1144 mILE.A 35 -2.46 47.95 74.97 -3.23 48.26 74.42 -0.41 47.59 73.71 -0.69 48.37 72.78 -1.52 46.94 74.52 -2.24 45.86 73.67 3 0 20.67-999 ?-999 ?-999 ? O3 GOL A1144 mGLU.A 36 0.81 47.26 74.04 0.87 46.63 74.82 2.64 46.72 72.49 3.15 47.06 71.40 1.97 47.78 73.35 3.01 48.30 74.34 2 0 18.31-999 ?-999 ?-999 ? O3 GOL A1144 mTHR.A 37 2.69 45.48 72.98 2.26 45.37 73.87 2.41 43.18 72.19 1.86 42.78 73.19 3.34 44.38 72.26 4.65 43.96 72.98 2 0 16.13-999 ?-999 ?-999 ? O3 GOL A1144 mALA^A 38 2.30 42.57 71.01 2.84 42.98 70.28 1.83 40.64 69.58 2.52 41.15 68.71 1.46 41.39 70.84 0.01 41.80 70.74 2 0 15.56-999 ?-999 ?-999 ? O3 GOL A1144 mILE^A 39 1.23 39.47 69.47 0.70 39.20 70.27 -0.08 38.46 67.85 -1.01 38.44 68.67 1.37 38.66 68.27 2.17 37.34 68.32 3 0 13.92-999 ?-999 ?-999 ? O3 GOL A1144 mILE^A 40 -0.28 38.36 66.54 0.56 38.42 65.99 -1.62 37.07 64.92 -0.64 36.82 64.20 -1.60 38.19 65.95 -2.14 39.49 65.31 3 0 14.33-999 ?-999 ?-999 ? O3 GOL A1144 mASN^A 41 -2.80 36.50 64.77 -3.51 36.80 65.42 -4.46 35.62 63.39 -5.25 36.01 64.24 -2.99 35.51 63.71 -2.49 34.09 63.94 2 0 15.26-999 ?-999 ?-999 ? O3 GOL A1144 mGLY^A 42 -4.84 35.35 62.16 -4.11 35.20 61.50 -6.57 34.88 60.43 -5.69 34.62 59.62 -6.25 35.30 61.85-999.99-999.99-999.99 1 0 17.43-999 ?-999 ?-999 ? O3 GOL A1144 mILE^A 43 -7.88 34.78 60.20 -8.42 35.02 61.01 -9.74 35.17 58.69 -10.24 35.89 59.56 -8.48 34.36 58.95 -8.84 32.83 58.98 3 0 19.25-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 44 -10.27 35.02 57.50 -9.72 34.46 56.88 -11.61 35.89 55.67 -11.26 35.01 54.88 -11.54 35.61 57.15-999.99-999.99-999.99 1 0 -21.14-999 ?-999 ?-999 ? O2 GOL A1144s mTHR^A 45 -12.11 37.07 55.33 -12.44 37.59 56.12 -11.99 39.09 53.97 -12.60 39.81 54.78 -12.20 37.58 53.95 -13.56 37.26 53.35 2 0 -20.97-999 ?-999 ?-999 ? O2 GOL A1144s mLEU^A 46 -11.13 39.57 53.08 -10.63 38.87 52.58 -11.44 41.43 51.51 -11.43 40.65 50.55 -10.94 41.01 52.87 -9.45 41.36 52.98 3 0 19.12-999 ?-999 ?-999 ? O2 GOL A1144 mLYS^A 47 -11.85 42.69 51.42 -11.85 43.19 52.28 -11.28 44.37 49.71 -10.85 45.19 50.51 -12.25 43.29 50.14 -13.65 43.88 50.29 2 0 20.70-999 ?-999 ?-999 ? O2 GOL A1144 mASN^A 48 -10.92 44.34 48.42 -11.40 43.64 47.87 -8.65 45.37 48.68 -8.21 46.51 48.96 -9.94 45.24 47.85 -10.57 46.60 47.60 2 0 19.21-999 ?-999 ?-999 ? O2 GOL A1144 mPRO^A 49 -8.05 44.25 49.08 -8.50 43.39 48.81 -5.67 44.89 49.04 -5.56 44.64 47.85 -6.82 44.33 49.87 -6.57 42.88 50.30 3 0 15.54-999 ?-999 ?-999 ? O2 GOL A1144 mLYS^A 50 -4.82 45.66 49.70 -5.12 45.89 50.63 -2.44 45.39 49.78 -2.37 45.40 51.02 -3.57 46.12 49.10 -3.39 47.62 49.24 2 0 13.06-999 ?-999 ?-999 ? O2 GOL A1144 mILE^A 51 -1.55 44.80 48.98 -1.75 44.88 48.00 0.89 44.79 49.03 0.87 45.52 48.06 -0.38 44.08 49.51 -0.40 42.57 49.11 3 0 9.76-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 52 1.97 44.54 49.75 1.80 43.90 50.50 4.39 44.14 49.36 4.45 43.15 50.09 3.26 45.13 49.47-999.99-999.99-999.99 1 0 7.13-999 ?-999 ?-999 ? O2 GOL A1144 mTYR^A 53 5.30 44.42 48.42 5.03 45.18 47.83 7.67 44.76 48.39 7.67 45.76 47.65 6.57 43.71 48.24 6.61 43.11 46.85 3 0 6.16-999 ?-999 ?-999 ? O1 GOL A1144 mPHE^A 54 8.57 44.59 49.34 8.52 43.72 49.83 10.64 45.65 48.52 11.18 44.60 48.16 9.56 45.64 49.61 10.20 45.46 50.97 3 0 -4.32-999 ?-999 ?-999 ? O1 GOL A1144s mLEU^A 55 10.95 46.86 48.05 10.41 47.60 48.44 13.19 47.69 47.78 13.21 48.87 48.10 12.01 47.08 47.07 11.50 48.01 45.95 3 0 7.22-999 ?-999 ?-999 ? O1 GOL A1144 mGLU.A 56 14.19 46.86 48.03 14.08 45.97 47.59 16.10 48.37 48.29 16.52 49.28 49.02 15.32 47.20 48.87 16.21 45.96 49.03 2 0 7.48-999 ?-999 ?-999 ? O1 GOL A1144 mGLU.A 57 16.28 48.37 46.97 15.86 47.59 46.49 16.32 50.79 46.45 16.98 51.81 46.60 17.03 49.44 46.32 17.31 49.09 44.85 2 0 11.21-999 ?-999 ?-999 ? O1 GOL A1144 mLYS.A 58 14.99 50.79 46.41 14.60 49.88 46.29 13.80 52.35 47.97 13.26 53.42 48.22 14.18 52.01 46.54 12.87 51.88 45.73 2 0 11.59-999 ?-999 ?-999 ? O1 GOL A1144 mLYS.A 59 14.07 51.44 48.91 14.54 50.63 48.58 12.19 51.97 50.50 11.82 52.79 51.33 13.68 51.65 50.32 14.58 52.72 50.97 2 0 9.44-999 ?-999 ?-999 ? C1 GOL A1144 mGLU^A 60 11.33 51.30 49.73 11.76 50.69 49.06 9.19 50.22 49.34 9.80 49.42 48.65 9.89 51.45 49.87 9.39 52.71 49.14 2 0 8.89-999 ?-999 ?-999 ? C1 GOL A1144 mTYR^A 61 7.91 50.10 49.67 7.56 50.83 50.25 6.50 49.28 47.90 5.92 50.34 47.69 7.11 48.98 49.19 5.93 48.65 50.11 3 0 -7.84-999 ?-999 ?-999 ? O2 GOL A1144s mLYS^A 62 6.46 48.24 47.08 7.00 47.47 47.42 4.34 47.79 46.28 4.20 46.75 46.92 5.71 48.23 45.79 6.25 47.23 44.78 2 0 10.06-999 ?-999 ?-999 ? O1 GOL A1144 mVAL^A 63 3.34 48.57 45.96 3.59 49.34 45.38 1.18 47.76 45.27 1.13 48.35 44.18 1.99 48.31 46.44 1.32 49.56 47.01 3 0 11.23-999 ?-999 ?-999 ? O2 GOL A1144 mILE^A 64 0.59 46.58 45.50 0.78 46.20 46.40 -1.71 45.95 45.03 -2.05 45.31 46.03 -0.26 45.91 44.53 0.21 44.46 44.34 3 0 13.18-999 ?-999 ?-999 ? O2 GOL A1144 mPRO^A 65 -2.56 46.75 44.39 -2.16 47.24 43.62 -4.85 45.79 44.20 -5.07 45.78 42.99 -3.97 46.86 44.81 -4.40 48.25 44.31 3 0 15.78-999 ?-999 ?-999 ? O2 GOL A1144 mLEU.A 66 -5.34 44.87 45.00 -5.06 44.96 45.95 -7.66 44.36 44.55 -7.95 45.34 45.26 -6.24 43.84 44.50 -6.06 42.55 45.31 3 0 17.37-999 ?-999 ?-999 ? O2 GOL A1144 mLYS.A 67 -8.55 43.70 43.82 -8.17 42.93 43.31 -10.88 42.91 44.06 -10.63 41.75 43.69 -9.95 44.06 43.75 -10.27 44.65 42.39 2 0 20.90-999 ?-999 ?-999 ? O2 GOL A1144 mGLY.A 68 -11.96 43.23 44.76 -12.00 44.20 45.03 -12.63 41.50 46.36 -11.73 41.86 47.12 -12.98 42.28 45.11-999.99-999.99-999.99 1 0 22.98-999 ?-999 ?-999 ? O2 GOL A1144 mSER^A 69 -13.40 40.45 46.61 -14.08 40.27 45.91 -12.15 38.59 47.62 -12.11 37.89 46.62 -13.25 39.64 47.81 -14.56 38.94 48.14 2 0 22.54-999 ?-999 ?-999 ? O2 GOL A1144 mTYR^A 70 -11.28 38.52 48.61 -11.38 39.25 49.29 -10.42 36.78 50.03 -10.55 37.44 51.09 -10.27 37.49 48.71 -8.87 38.09 48.58 3 0 19.99-999 ?-999 ?-999 ? O2 GOL A1144 mGLU^A 71 -10.33 35.46 50.02 -10.31 35.05 49.11 -8.94 35.04 51.99 -7.84 35.00 51.39 -10.26 34.70 51.26 -10.38 33.17 51.05 2 0 -20.40-999 ?-999 ?-999 ? O2 GOL A1144s mLEU^A 72 -9.05 35.42 53.25 -10.00 35.47 53.57 -7.42 34.40 54.66 -7.93 33.94 55.66 -7.89 35.73 54.08 -8.31 36.73 55.17 3 0 17.57-999 ?-999 ?-999 ? O2 GOL A1144 mILE^A 73 -6.49 33.77 53.96 -6.12 34.30 53.19 -5.12 32.45 55.50 -5.27 31.63 56.40 -6.03 32.43 54.28 -5.32 31.82 53.07 3 0 17.70-999 ?-999 ?-999 ? O2 GOL A1144 mSER^A 74 -4.27 33.46 55.56 -4.26 34.05 54.75 -3.19 35.12 56.93 -2.93 35.79 55.97 -3.45 33.67 56.74 -2.11 32.93 56.63 2 0 15.09-999 ?-999 ?-999 ? O2 GOL A1144 mLEU^A 75 -3.22 35.48 58.29 -3.58 34.85 58.99 -1.83 36.36 59.79 -2.24 35.64 60.69 -2.73 36.75 58.67 -3.84 37.71 59.16 3 0 13.09-999 ?-999 ?-999 ? O3 GOL A1144 mILE^A 76 -0.59 36.85 59.75 -0.38 37.42 58.95 1.06 37.87 61.00 1.43 38.51 60.03 0.37 36.57 60.81 1.40 35.46 60.51 3 0 11.02-999 ?-999 ?-999 ? O3 GOL A1144 mGLY^A 77 1.25 38.29 62.23 0.87 37.71 62.95 2.16 39.86 63.89 2.05 39.02 64.77 1.98 39.51 62.44-999.99-999.99-999.99 1 0 9.18-999 ?-999 ?-999 ? O3 GOL A1144 mASN^A 78 2.44 41.13 64.13 2.42 41.74 63.34 2.36 43.02 65.69 2.14 43.77 64.74 2.74 41.56 65.49 4.23 41.30 65.79 2 0 10.35-999 ?-999 ?-999 ? O3 GOL A1144 mVAL^A 79 2.27 43.39 66.97 2.37 42.62 67.60 3.27 45.13 68.28 3.73 44.34 69.10 2.05 44.76 67.43 0.75 44.92 68.25 3 0 12.49-999 ?-999 ?-999 ? O3 GOL A1144 mSER^A 80 3.80 46.33 68.04 3.36 46.84 67.31 4.96 48.32 68.77 4.38 48.92 67.90 4.93 46.82 68.83 6.26 46.19 68.38 2 0 12.98-999 ?-999 ?-999 ? O3 GOL A1144 mLEU^A 81 5.61 48.92 69.74 6.00 48.29 70.42 6.50 50.93 68.60 7.56 50.43 68.25 5.73 50.37 69.79 6.45 50.75 71.09 3 0 15.14-999 ?-999 ?-999 ? O3 GOL A1144 mLYS^A 82 5.96 51.97 67.98 5.03 52.17 68.28 6.26 54.20 67.16 5.07 54.53 67.16 6.67 52.74 66.97 6.34 52.31 65.54 2 0 14.28-999 ?-999 ?-999 ? O3 GOL A1144 mASP.A 83 7.27 55.05 67.35 8.18 54.63 67.31 5.97 56.72 68.66 5.11 57.58 68.49 7.05 56.47 67.58 6.68 57.14 66.25 2 0 17.44-999 ?-999 ?-999 ? C3 GOL A1144 mGLY.A 84 5.98 55.92 69.72 6.61 55.15 69.65 3.75 55.54 70.88 2.98 55.73 71.82 5.13 56.18 70.88-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? O3 GOL A1144 mGLU^A 85 3.43 54.83 69.81 4.16 54.71 69.14 2.18 52.82 69.20 3.13 52.41 68.51 2.10 54.28 69.63 1.35 55.05 68.54 2 0 18.39-999 ?-999 ?-999 ? O3 GOL A1144 mPRO^A 86 1.18 52.02 69.55 0.48 52.42 70.16 1.07 50.67 67.53 0.28 51.44 66.95 1.17 50.65 69.04 -0.08 50.02 69.68 3 0 16.29-999 ?-999 ?-999 ? O3 GOL A1144 mPHE^A 87 1.86 49.81 66.88 2.35 49.20 67.49 1.86 48.28 64.98 2.49 47.37 65.53 2.00 49.75 65.44 3.36 50.30 65.01 3 0 12.94-999 ?-999 ?-999 ? O3 GOL A1144 mVAL^A 88 1.01 48.08 63.99 0.65 48.93 63.59 1.40 46.42 62.23 1.37 47.18 61.26 0.64 46.75 63.52 -0.88 46.64 63.29 3 0 11.22-999 ?-999 ?-999 ? O3 GOL A1144 mHIS^A 89 2.11 45.29 62.24 2.09 44.80 63.11 2.37 43.41 60.80 2.52 42.54 61.65 2.84 44.81 61.07 4.34 44.86 61.28 3 0 -7.55-999 ?-999 ?-999 ? O3 GOL A1144s mALA^A 90 1.80 43.18 59.63 1.73 43.98 59.03 1.50 41.51 57.81 1.55 42.38 56.96 1.33 41.85 59.27 -0.13 41.69 59.64 2 0 7.90-999 ?-999 ?-999 ? O3 GOL A1144 mHIS^A 91 1.57 40.22 57.52 1.58 39.64 58.34 0.42 38.81 55.95 -0.10 38.23 56.90 1.63 39.69 56.15 2.88 38.85 55.89 3 0 -7.48-999 ?-999 ?-999 ? O2 GOL A1144s mVAL^A 92 -0.06 38.80 54.71 0.47 39.33 54.04 -1.11 37.16 53.18 -0.38 37.51 52.26 -1.29 38.02 54.41 -2.50 38.96 54.20 3 0 10.65-999 ?-999 ?-999 ? O2 GOL A1144 mSER^A 93 -1.88 36.07 53.17 -2.36 35.88 54.02 -3.51 35.28 51.73 -4.35 35.24 52.67 -2.00 35.21 52.00 -1.48 33.79 52.13 2 0 13.05-999 ?-999 ?-999 ? O2 GOL A1144 mLEU^A 94 -3.81 35.53 50.46 -3.02 35.53 49.85 -5.56 34.89 48.85 -4.83 34.77 47.84 -5.16 35.79 50.00 -5.09 37.22 49.52 3 0 15.75-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 95 -6.73 34.28 48.97 -7.22 34.50 49.81 -8.28 33.96 47.07 -9.27 34.55 47.52 -7.23 33.37 47.97-999.99-999.99-999.99 1 0 19.27-999 ?-999 ?-999 ? O2 GOL A1144 mASN.A 96 -8.11 33.75 45.78 -7.28 33.24 45.54 -10.11 33.18 44.49 -10.12 32.11 45.10 -9.07 34.25 44.81 -8.41 34.90 43.57 2 0 21.57-999 ?-999 ?-999 ? O2 GOL A1144 mGLU.A 97 -11.05 33.56 43.62 -10.90 34.44 43.18 -11.88 31.36 42.69 -12.71 30.47 42.67 -12.19 32.70 43.35 -13.20 33.49 42.48 2 0 25.33-999 ?-999 ?-999 ? O2 GOL A1144 mGLU.A 98 -10.68 31.24 42.15 -10.15 32.08 42.13 -9.27 29.27 42.57 -8.71 28.26 42.21 -10.19 29.98 41.62 -9.48 30.16 40.26 2 0 25.91-999 ?-999 ?-999 ? O2 GOL A1144 mGLY.A 99 -9.07 29.81 43.77 -9.57 30.66 43.92 -6.72 29.47 44.56 -5.90 28.83 45.21 -8.20 29.20 44.76-999.99-999.99-999.99 1 0 23.52-999 ?-999 ?-999 ? O2 GOL A1144 mILE.A 100 -6.37 30.41 43.68 -7.12 30.78 43.14 -4.64 31.87 44.62 -5.47 32.69 44.98 -4.97 30.83 43.56 -4.71 31.38 42.15 3 0 20.99-999 ?-999 ?-999 ? O2 GOL A1144 mVAL^A 101 -3.41 31.82 45.11 -2.79 31.21 44.63 -2.06 33.74 45.90 -1.07 33.51 45.21 -3.03 32.63 46.29 -2.41 31.71 47.38 3 0 17.34-999 ?-999 ?-999 ? O2 GOL A1144 mPHE^A 102 -2.40 34.94 46.37 -3.30 34.94 46.80 -1.20 36.51 47.71 -1.83 36.12 48.69 -1.60 36.13 46.30 -2.41 37.29 45.70 3 0 14.46-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 103 -0.19 37.35 47.84 0.29 37.62 47.01 1.39 38.63 49.26 2.17 38.80 48.30 0.15 37.79 49.16-999.99-999.99-999.99 1 0 10.91-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 104 1.64 39.08 50.49 0.97 38.79 51.18 2.54 40.61 52.10 1.70 40.19 52.90 2.78 39.90 50.79-999.99-999.99-999.99 1 0 7.19-999 ?-999 ?-999 ? O2 GOL A1144 mHIS^A 105 3.22 41.74 52.31 3.93 41.93 51.63 1.55 43.18 53.30 1.18 43.61 52.21 2.95 42.60 53.45 4.00 43.71 53.46 3 0 5.18-999 ?-999 ?-999 ? O2 GOL A1144 mLEU^A 106 0.76 43.26 54.38 1.14 42.88 55.22 -0.42 45.38 54.43 0.02 45.87 55.45 -0.55 43.87 54.29 -1.50 43.35 55.38 3 0 8.57-999 ?-999 ?-999 ? O2 GOL A1144 mVAL^A 107 -0.79 46.09 53.38 -1.08 45.53 52.60 -2.10 48.08 53.89 -2.10 48.97 54.74 -0.77 47.55 53.36 -0.49 48.08 51.93 3 0 9.82-999 ?-999 ?-999 ? O2 GOL A1144 mGLU^A 108 -3.21 47.53 53.40 -3.05 46.92 52.63 -5.54 46.81 53.47 -5.33 46.20 52.43 -4.54 47.82 53.97 -5.01 49.23 53.60 2 0 13.35-999 ?-999 ?-999 ? O2 GOL A1144 mGLY^A 109 -6.66 46.66 54.18 -6.74 47.20 55.02 -8.98 45.95 54.44 -9.03 45.97 55.68 -7.67 45.74 53.70-999.99-999.99-999.99 1 0 15.87-999 ?-999 ?-999 ? O2 GOL A1144 mGLU^A 110 -10.03 46.05 53.65 -9.83 45.99 52.67 -11.88 44.88 54.68 -11.88 43.91 53.92 -11.36 46.24 54.23 -12.31 46.85 53.19 2 0 19.58-999 ?-999 ?-999 ? O2 GOL A1144 mVAL^A 111 -12.33 44.81 55.92 -12.27 45.66 56.42 -14.28 43.17 56.04 -15.18 43.95 56.34 -12.86 43.54 56.45 -12.92 43.61 57.98 3 0 20.94-999 ?-999 ?-999 ? O2 GOL A1144 mPHE^A 112 -14.35 41.91 55.54 -13.52 41.41 55.32 -15.99 40.68 56.66 -16.85 41.01 57.44 -15.75 41.44 55.38 -15.91 40.61 54.06 3 0 23.82-999 ?-999 ?-999 ? O2 GOL A1144 mVAL^A 113 -15.15 39.65 56.84 -14.54 39.48 56.06 -13.66 38.77 58.44 -12.86 38.47 57.60 -15.14 38.85 58.09 -15.69 37.43 57.94 3 0 23.82-999 ?-999 ?-999 ? O2 GOL A1144 mALA^A 114 -13.35 38.92 59.74 -14.11 39.16 60.35 -12.04 38.22 61.61 -12.67 38.87 62.48 -11.94 38.75 60.18 -11.05 39.95 60.12 2 0 21.22-999 ?-999 ?-999 ? O2 GOL A1144 mGLU^A 115 -11.47 37.04 61.83 -11.02 36.66 61.02 -10.03 36.35 63.51 -9.19 35.64 62.94 -11.49 36.35 63.09 -12.07 34.94 62.95 2 0 22.11-999 ?-999 ?-999 ? O3 GOL A1144 mILE^A 116 -9.77 37.25 64.44 -10.58 37.72 64.79 -8.12 37.02 66.34 -8.93 37.25 67.28 -8.41 37.52 64.91 -8.22 39.06 64.86 3 0 19.60-999 ?-999 ?-999 ? O3 GOL A1144 mPHE^A 117 -6.93 36.44 66.47 -6.44 36.35 65.60 -5.22 36.96 68.05 -4.38 37.24 67.19 -6.36 35.99 67.73 -5.80 34.57 67.67 3 0 19.65-999 ?-999 ?-999 ? O3 GOL A1144 mLEU^A 118 -5.21 37.46 69.28 -5.93 37.12 69.87 -3.68 38.07 71.07 -4.47 37.88 72.00 -4.20 38.43 69.69 -4.78 39.83 69.68 3 0 18.55-999 ?-999 ?-999 ? O3 GOL A1144 mGLN^A 119 -2.36 37.94 71.20 -1.85 38.11 70.36 -0.76 38.67 72.84 0.29 38.86 72.20 -1.73 37.57 72.46 -0.99 36.21 72.35 2 0 19.22-999 ?-999 ?-999 ? O3 GOL A1144 mGLU^A 120 -1.10 39.35 73.93 -1.96 39.08 74.35 0.99 39.78 75.08 0.90 38.72 75.68 -0.24 40.41 74.45 -1.00 41.21 75.52 2 0 19.60-999 ?-999 ?-999 ? O3 GOL A1144 mLEU^A 121 2.13 40.46 74.93 2.04 41.26 74.34 3.91 41.20 76.43 3.78 42.37 76.06 3.40 40.06 75.55 4.43 39.79 74.46 3 0 19.28-999 ?-999 ?-999 ? O3 GOL A1144 mLYS^A 122 4.44 40.84 77.61 4.51 39.85 77.75 6.36 41.56 78.89 6.82 40.44 79.03 4.88 41.80 78.62 4.12 41.62 79.93 2 0 21.76-999 ?-999 ?-999 ? O3 GOL A1144 mGLY^A 123 7.11 42.64 78.96 6.64 43.50 78.80 9.31 43.70 78.80 8.88 44.85 78.86 8.52 42.51 79.25-999.99-999.99-999.99 1 0 22.01-999 ?-999 ?-999 ? O3 GOL A1144 mGLU.A 124 10.51 43.40 78.35 10.69 42.42 78.33 10.97 45.13 76.71 10.06 44.69 76.01 11.46 44.39 77.93 12.78 43.70 77.62 2 0 20.92-999 ?-999 ?-999 ? O3 GOL A1144 mLYS.A 125 11.60 46.27 76.45 12.32 46.51 77.10 11.55 46.30 74.05 12.54 45.55 73.95 11.26 47.07 75.32 12.04 48.37 75.34 2 0 18.78-999 ?-999 ?-999 ? O3 GOL A1144 mILE.A 126 10.68 46.55 73.07 9.95 47.19 73.33 10.14 46.97 70.81 8.93 47.03 70.65 10.78 45.95 71.75 10.18 44.51 71.65 3 0 15.01-999 ?-999 ?-999 ? O3 GOL A1144 mGLU^A 127 10.96 47.89 70.33 11.92 47.72 70.53 10.97 49.13 68.15 12.17 48.85 67.90 10.45 49.04 69.59 10.94 50.26 70.39 2 0 14.04-999 ?-999 ?-999 ? O3 GOL A1144 mARG^A 128 10.09 49.51 67.22 9.15 49.64 67.56 11.12 51.06 65.66 10.51 52.08 65.98 10.48 49.69 65.83 9.30 49.60 64.89 2 0 11.29-999 ?-999 ?-999 ? O3 GOL A1144 mLYS.A 129 12.35 51.06 65.20 12.73 50.15 65.06 13.63 52.29 63.55 13.88 51.22 62.98 13.07 52.31 64.94 14.18 52.53 65.97 2 0 12.91-999 ?-999 ?-999 ? C3 GOL A1144 mPRO.A 130 13.85 53.46 62.97 13.60 54.25 63.52 15.74 52.78 61.45 16.56 52.72 62.38 14.42 53.51 61.62 14.63 55.01 61.40 3 0 12.43-999 ?-999 ?-999 ? C3 GOL A1144 mTHR.A 131 15.94 52.24 60.24 15.18 52.36 59.61 17.61 51.99 58.51 16.87 52.61 57.77 17.17 51.54 59.91 17.05 49.99 59.93 2 0 11.74-999 ?-999 ?-999 ? C3 GOL A1144 mLYS.A 132 18.83 51.64 58.18 19.30 51.13 58.90 18.62 51.37 55.75 18.57 51.92 54.65 19.43 51.98 56.89 20.88 51.48 56.86 2 0 12.63-999 ?-999 ?-999 ? C1 GOL A1144 mTYR.A 133 17.92 50.26 56.04 18.00 49.94 56.98 15.86 50.42 54.60 15.25 50.13 53.58 17.11 49.62 55.00 16.70 48.19 55.41 3 0 9.05-999 ?-999 ?-999 ? C1 GOL A1144 mGLY.A 134 15.46 51.40 55.39 16.08 51.62 56.14 13.06 51.34 55.80 11.92 51.65 55.50 14.22 52.10 55.19-999.99-999.99-999.99 1 0 9.37-999 ?-999 ?-999 ? C1 GOL A1144 mLEU.A 135 13.36 50.36 56.65 14.34 50.16 56.71 12.47 50.02 58.88 13.58 50.14 59.37 12.34 49.65 57.41 12.54 48.14 57.30 3 0 6.95-999 ?-999 ?-999 ? C3 GOL A1144 mALA.A 136 11.34 50.10 59.58 10.51 49.98 59.03 11.39 49.00 61.70 10.44 48.23 61.56 11.36 50.36 61.02 10.16 51.14 61.46 2 0 8.61-999 ?-999 ?-999 ? C3 GOL A1144 mLEU.A 137 12.51 48.71 62.35 13.17 49.46 62.38 13.12 47.42 64.40 13.63 48.42 64.89 12.71 47.38 62.95 13.85 46.69 62.19 3 0 8.37-999 ?-999 ?-999 ? C3 GOL A1144 mTRP.A 138 12.90 46.30 65.10 12.38 45.61 64.60 14.89 45.90 66.47 15.46 45.49 65.46 13.37 46.11 66.46 12.78 44.82 67.05 3 0 10.84-999 ?-999 ?-999 ? O3 GOL A1144 mGLU.A 139 15.47 46.03 67.65 14.87 46.36 68.38 16.94 44.19 67.70 16.11 43.49 68.29 16.90 45.70 67.81 17.42 46.19 69.17 2 0 13.61-999 ?-999 ?-999 ? O3 GOL A1144 mGLU.A 140 17.86 43.68 66.89 18.46 44.36 66.47 18.43 41.50 67.89 19.08 42.06 68.80 17.96 42.25 66.66 18.93 41.99 65.51 2 0 13.05-999 ?-999 ?-999 ? O3 GOL A1144 mLEU.A 141 18.15 40.19 67.86 17.61 39.90 67.07 19.81 38.55 68.36 19.70 37.64 67.54 18.59 39.28 68.92 17.50 38.32 69.38 3 0 15.49-999 ?-999 ?-999 ? O3 GOL A1144 mLYS.A 142 21.00 38.98 68.78 20.97 39.71 69.46 22.64 37.31 69.22 22.82 37.58 70.41 22.23 38.41 68.26 23.31 39.50 68.19 2 0 17.75-999 ?-999 ?-999 ? O3 GOL A1144 mLEU.A 143 22.79 36.07 68.73 22.59 35.99 67.75 24.68 35.03 69.94 25.02 34.44 70.97 23.20 34.95 69.58 22.93 33.62 68.89 3 0 20.32-999 ?-999 ?-999 ? O3 GOL A1144