HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JAN-07 2E6U COMPND HYPOTHETICAL PROTEIN PH1109; COMPND 3 CHAIN: X; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH1109; 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: PET-26B AUTHOR Y.KITAGO,Y.MIN,N.WATANABE,I.TANAKA HET CA X 201 1 HET CL X 202 1 HET CL X 203 1 HET CL X 204 1 HET COA X 200 48 SITE 1 AC1 5 GLU X 13 GLU X 17 GLU X 92 GLU X 95 SITE 1 AC2 3 TYR X 112 ARG X 114 SER X 117 SITE 1 AC3 2 PRO X 32 LEU X 63 SITE 1 AC4 3 ASP X 51 LYS X 58 GLU X 61 SITE 1 AC5 28 MET X 1 GLU X 2 THR X 20 LYS X 23 mMET.X 1 9.72 49.70 71.51 9.82 50.09 70.59 9.22 47.63 72.81 8.17 47.26 72.26 9.56 49.12 72.87 8.48 49.87 73.65 2 0 -23.49-999 ?-999 ?-999 ? CL CL X 202s mGLU.X 2 10.08 46.79 73.37 10.93 47.21 73.69 9.01 45.05 74.78 9.25 45.68 75.82 9.76 45.37 73.49 11.02 44.51 73.36 2 0 -19.87-999 ?-999 ?-999 ? CL CL X 202s mGLU.X 3 8.10 44.09 74.69 8.00 43.72 73.77 7.98 42.40 76.48 8.83 41.74 75.86 7.32 43.62 75.84 5.90 43.23 75.41 2 0 18.74-999 ?-999 ?-999 ? CL CL X 202 mTHR.X 4 7.57 42.10 77.72 6.97 42.79 78.13 7.72 39.67 77.47 6.57 39.39 77.10 7.97 40.86 78.40 7.19 40.64 79.72 2 0 15.70-999 ?-999 ?-999 ? CL CL X 202 mARG.X 5 8.81 39.02 77.07 9.66 39.47 77.34 9.17 36.63 77.22 9.88 36.86 78.21 8.76 37.78 76.29 9.71 37.86 75.08 2 0 13.13-999 ?-999 ?-999 ? CL CL X 202 mPRO.X 6 8.73 35.39 76.92 8.20 35.29 76.08 10.53 33.88 77.76 11.13 33.83 76.68 9.07 34.29 77.83 8.16 33.15 77.36 3 0 10.08-999 ?-999 ?-999 ? CL CL X 202 mILE.X 7 11.10 33.57 78.92 10.48 33.58 79.71 12.94 32.03 78.15 14.08 31.98 77.70 12.51 33.23 79.01 12.98 33.07 80.50 3 0 6.81-999 ?-999 ?-999 ? CL CL X 202 mASP.X 8 12.02 31.08 77.90 11.12 31.26 78.30 12.34 30.17 75.60 12.74 29.31 74.79 12.35 29.90 77.11 11.44 28.70 77.48 2 0 5.38-999 ?-999 ?-999 ? CL CL X 202 mGLY.X 9 11.86 31.35 75.23 11.46 31.89 75.97 10.91 31.18 72.92 10.98 31.37 71.71 11.94 31.80 73.85-999.99-999.99-999.99 1 0 8.49-999 ?-999 ?-999 ? CL CL X 202 mLEU.X 10 9.95 30.43 73.47 10.00 30.38 74.47 7.75 30.64 72.38 7.26 31.34 73.27 8.94 29.75 72.66 8.46 28.44 73.35 3 0 10.57-999 ?-999 ?-999 ? CL CL X 202 mTHR~X 11 7.29 30.61 71.13 7.83 30.05 70.50 4.86 30.63 71.21 4.93 29.45 71.59 6.10 31.35 70.73 6.00 31.52 69.19 2 0 14.24-999 ?-999 ?-999 ? CL CL X 202 mASP~X 12 3.73 31.33 71.17 3.86 32.29 70.90 2.12 29.58 70.58 1.55 28.60 71.03 2.42 30.76 71.50 1.29 31.81 71.43 2 0 16.60-999 ?-999 ?-999 ? CL CL X 202 mGLU~X 13 2.51 29.68 69.31 2.90 30.56 69.04 3.23 27.35 68.79 2.78 26.21 68.68 2.35 28.53 68.40 2.57 28.88 66.92 2 0 -18.17-999 ?-999 ?-999 ? CL CL X 202s mASP~X 14 4.48 27.60 69.21 4.73 28.57 69.17 4.70 25.77 70.84 4.68 24.54 70.85 5.37 26.53 69.68 6.72 27.08 70.18 2 0 15.07-999 ?-999 ?-999 ? CL CL X 202 mILE~X 15 4.17 26.51 71.81 4.29 27.50 71.69 2.23 25.14 72.50 1.99 24.00 72.90 3.49 25.89 72.96 3.15 26.91 74.05 3 0 14.81-999 ?-999 ?-999 ? CL CL X 202 mARG~X 16 1.45 25.77 71.63 1.74 26.70 71.41 0.62 23.79 70.40 -0.09 22.81 70.61 0.26 25.11 71.07 -0.45 26.05 70.08 2 0 16.66-999 ?-999 ?-999 ? S1P COA X 200 mGLU~X 17 1.70 23.76 69.63 2.16 24.64 69.53 2.53 21.44 70.01 2.13 20.29 69.88 2.17 22.52 68.99 3.37 22.81 68.08 2 0 -18.68-999 ?-999 ?-999 ? CL CL X 202s mILE~X 18 3.27 21.83 71.04 3.58 22.78 71.00 2.31 20.33 72.78 2.19 19.12 73.00 3.58 20.89 72.14 4.46 21.58 73.21 3 0 16.51-999 ?-999 ?-999 ? CL CL X 202 mLEU~X 19 1.36 21.21 73.11 1.57 22.15 72.83 -0.78 19.95 72.95 -1.59 19.17 73.47 0.14 20.81 73.82 -0.61 22.05 74.27 3 0 15.15-999 ?-999 ?-999 ? S1P COA X 200 mTHR~X 20 -0.66 20.11 71.64 0.04 20.77 71.36 -0.95 17.96 70.42 -1.71 16.97 70.33 -1.49 19.35 70.70 -1.59 20.13 69.35 2 0 -18.52-999 ?-999 ?-999 ? S1P COA X 200s mARG~X 21 0.37 17.88 70.28 0.85 18.73 70.52 1.58 15.78 70.94 1.46 14.55 70.86 1.06 16.69 69.82 2.20 17.11 68.88 2 0 20.67-999 ?-999 ?-999 ? S1P COA X 200 mTYR~X 22 2.20 16.38 71.97 2.12 17.38 71.98 2.06 15.43 74.23 2.08 16.26 75.15 2.92 15.61 72.99 4.22 16.33 73.34 3 0 18.33-999 ?-999 ?-999 ? O5P COA X 200 mLYS.X 23 1.29 14.34 74.24 1.46 13.70 73.50 0.58 12.97 76.21 -0.20 12.70 77.12 0.28 14.13 75.28 -1.09 14.00 74.65 2 0 -17.63-999 ?-999 ?-999 ? O5P COA X 200s mLYS^X 24 1.71 12.30 75.99 2.16 12.57 75.15 3.12 11.96 77.95 4.28 12.32 77.63 2.21 11.26 76.93 3.01 10.19 76.18 2 0 17.48-999 ?-999 ?-999 ? C2A COA X 200 mILE^X 25 2.60 12.16 79.16 1.74 11.67 79.32 3.72 12.19 81.35 2.94 11.39 81.90 3.25 13.02 80.15 2.28 14.09 80.68 3 0 14.07-999 ?-999 ?-999 ? C2A COA X 200 mALA^X 26 4.96 12.39 81.77 5.53 12.91 81.13 5.38 13.07 84.01 6.15 14.04 83.85 5.43 11.87 83.08 6.84 11.31 82.98 2 0 10.54-999 ?-999 ?-999 ? C2A COA X 200 mLEU^X 27 4.45 13.02 84.97 3.91 12.18 85.00 5.02 13.85 87.19 4.59 13.04 88.03 4.26 14.14 85.88 2.78 14.44 86.13 3 0 8.70-999 ?-999 ?-999 ? C2A COA X 200 mVAL^X 28 6.16 14.53 87.34 6.28 15.26 86.66 6.80 15.04 89.63 6.66 16.26 89.53 7.13 14.22 88.40 8.57 14.52 87.91 3 0 5.18-999 ?-999 ?-999 ? C2A COA X 200 mGLY.X 29 6.71 14.40 90.79 7.01 13.44 90.78 4.71 14.95 92.13 4.09 15.66 92.92 6.21 15.07 91.97-999.99-999.99-999.99 1 0 -3.35-999 ?-999 ?-999 ? N3A COA X 200s mALA.X 30 4.11 14.03 91.38 4.70 13.55 90.73 2.32 13.49 93.00 3.10 12.86 93.74 2.69 13.76 91.54 2.29 12.56 90.66 2 0 6.26-999 ?-999 ?-999 ? N3A COA X 200 mSER.X 31 1.14 13.97 93.38 0.62 14.38 92.63 -0.86 13.69 94.82 -1.59 14.31 94.05 0.65 13.89 94.78 1.02 15.18 95.52 2 0 -4.05-999 ?-999 ?-999 ? O9A COA X 200s mPRO.X 32 -1.36 12.84 95.75 -0.67 12.35 96.27 -3.43 13.78 96.82 -4.66 13.80 97.01 -2.80 12.67 95.96 -2.88 11.35 96.72 3 0 -4.25-999 ?-999 ?-999 ? CL CL X 203s mLYS.X 33 -2.60 14.68 97.33 -1.63 14.54 97.11 -3.82 16.82 97.29 -3.18 17.43 96.43 -3.10 15.79 98.16 -1.95 16.47 98.92 2 0 -5.58-999 ?-999 ?-999 ? O9A COA X 200s mPRO.X 34 -5.13 17.03 97.51 -5.52 16.57 98.30 -5.39 19.35 96.55 -5.60 20.06 95.55 -5.89 17.91 96.60 -7.32 17.81 97.14 3 0 8.57-999 ?-999 ?-999 ? CL CL X 203 mGLU.X 35 -4.71 19.77 97.61 -4.62 19.09 98.33 -2.84 21.31 96.91 -2.46 22.44 96.63 -4.16 21.11 97.69 -3.99 21.50 99.16 2 0 9.10-999 ?-999 ?-999 ? O8A COA X 200 mARG~X 36 -2.12 20.23 96.60 -2.52 19.36 96.91 -1.14 20.75 94.42 -2.05 20.22 93.78 -0.86 20.35 95.86 -0.09 19.02 95.89 2 0 -6.13-999 ?-999 ?-999 ? O9P COA X 200s mASP~X 37 -0.34 21.67 93.89 0.36 22.03 94.50 -0.36 20.89 91.52 -1.08 20.80 90.53 -0.51 22.07 92.49 0.46 23.18 92.11 2 0 -4.62-999 ?-999 ?-999 ? O9P COA X 200s mALA~X 38 0.58 19.98 91.81 1.16 20.21 92.59 -0.60 17.95 90.89 -0.89 17.33 89.83 0.70 18.74 91.01 1.83 17.82 91.59 2 0 5.84-999 ?-999 ?-999 ? O9P COA X 200 mASN~X 39 -1.39 17.93 91.96 -1.03 18.44 92.74 -3.68 17.92 91.03 -4.36 17.30 90.21 -2.66 17.20 91.95 -3.21 17.06 93.37 2 0 8.64-999 ?-999 ?-999 ? O9A COA X 200 mILE~X 40 -3.76 19.24 91.17 -3.12 19.61 91.85 -4.37 19.98 88.89 -5.27 19.73 88.08 -4.69 20.07 90.40 -4.64 21.55 90.86 3 0 7.63-999 ?-999 ?-999 ? C2P COA X 200 mVAL~X 41 -3.10 20.12 88.53 -2.48 20.25 89.30 -2.88 18.66 86.55 -3.32 18.50 85.40 -2.69 20.08 87.12 -1.22 20.58 86.94 3 0 6.74-999 ?-999 ?-999 ? C3P COA X 200 mMET~X 42 -2.57 17.63 87.35 -2.20 17.89 88.24 -4.25 15.99 86.55 -4.58 15.44 85.49 -2.77 16.23 86.87 -2.27 15.20 87.89 2 0 10.25-999 ?-999 ?-999 ? C3P COA X 200 mLYS~X 43 -5.14 16.41 87.45 -4.74 16.84 88.26 -7.02 16.95 85.95 -7.74 16.39 85.11 -6.58 16.23 87.25 -7.34 16.78 88.46 2 0 10.40-999 ?-999 ?-999 ? CL CL X 203 mTYR~X 44 -6.55 18.18 85.79 -5.96 18.50 86.53 -6.41 18.30 83.30 -7.17 18.15 82.33 -6.89 18.97 84.60 -6.27 20.36 84.73 3 0 10.18-999 ?-999 ?-999 ? S1P COA X 200 mLEU~X 45 -5.17 17.86 83.30 -4.68 17.98 84.16 -5.37 15.98 81.77 -5.65 15.73 80.59 -4.60 17.25 82.11 -3.14 16.93 82.35 3 0 11.65-999 ?-999 ?-999 ? S1P COA X 200 mLEU~X 46 -5.67 15.16 82.77 -5.31 15.43 83.66 -7.83 14.28 81.90 -8.32 13.53 81.03 -6.47 13.94 82.52 -6.66 13.10 83.77 3 0 13.36-999 ?-999 ?-999 ? CL CL X 203 mGLU~X 47 -8.44 15.38 82.35 -7.93 15.87 83.06 -9.66 16.27 80.37 -10.68 16.29 79.66 -9.74 15.81 81.81 -10.34 16.97 82.65 2 0 15.10-999 ?-999 ?-999 ? S1P COA X 200 mHIS~X 48 -8.48 16.69 79.94 -7.74 16.62 80.61 -7.52 16.29 77.64 -6.88 16.75 76.69 -8.29 17.20 78.59 -7.69 18.60 78.68 3 0 14.97-999 ?-999 ?-999 ? S1P COA X 200 mGLY.X 49 -7.58 14.98 77.90 -8.01 14.75 78.78 -5.57 13.66 77.02 -5.02 13.02 76.11 -7.06 13.98 76.95-999.99-999.99-999.99 1 0 17.73-999 ?-999 ?-999 ? S1P COA X 200 mTYR.X 50 -4.91 14.11 78.09 -5.45 14.68 78.71 -3.38 12.39 78.94 -4.20 12.03 79.77 -3.51 13.76 78.30 -2.80 14.84 79.16 3 0 16.31-999 ?-999 ?-999 ? S1P COA X 200 mASP^X 51 -2.34 11.63 78.57 -1.77 12.01 77.84 -1.02 10.60 80.27 0.17 10.69 79.94 -2.10 10.35 79.21 -1.59 9.35 78.18 2 0 -16.24-999 ?-999 ?-999 ? CL CL X 203s mVAL^X 52 -1.45 10.74 81.52 -2.38 10.43 81.68 -0.10 10.22 83.51 -0.91 9.67 84.26 -0.56 11.31 82.56 -1.22 12.44 83.38 3 0 13.56-999 ?-999 ?-999 ? CL CL X 203 mTYR^X 53 1.19 9.88 83.43 1.70 10.36 82.72 2.40 9.59 85.50 3.40 10.30 85.33 1.79 8.88 84.30 2.91 8.18 83.55 3 0 11.98-999 ?-999 ?-999 ? C2A COA X 200 mPRO^X 54 1.82 9.40 86.70 1.00 8.83 86.73 3.78 9.41 88.24 3.93 8.18 88.15 2.42 10.04 87.86 1.36 9.86 88.96 3 0 8.86-999 ?-999 ?-999 ? C2A COA X 200 mVAL^X 55 4.75 10.24 88.63 4.50 11.21 88.63 6.42 10.34 90.39 6.51 11.56 90.57 6.08 9.77 89.01 7.18 10.14 87.98 3 0 5.78-999 ?-999 ?-999 ? C2A COA X 200 mASN.X 56 6.54 9.44 91.37 6.39 8.49 91.08 7.11 8.51 93.50 6.16 7.75 93.70 6.85 9.82 92.75 5.69 10.57 93.40 2 0 -3.73-999 ?-999 ?-999 ? C2A COA X 200s mPRO.X 57 8.36 8.23 93.85 9.03 8.94 93.63 7.99 6.77 95.87 8.03 5.64 96.42 8.68 6.94 94.52 10.21 7.02 94.75 3 0 -5.97-999 ?-999 ?-999 ? N1A COA X 200s mLYS.X 58 7.37 7.83 96.40 7.47 8.66 95.86 5.29 7.02 97.50 4.79 6.41 98.46 6.63 7.74 97.67 6.38 9.14 98.26 2 0 5.18-999 ?-999 ?-999 ? CL CL X 204s mTYR.X 59 4.67 7.11 96.33 5.22 7.53 95.61 3.19 5.45 95.16 3.99 5.37 94.21 3.29 6.60 96.16 2.39 7.73 95.68 3 0 -4.62-999 ?-999 ?-999 ? CL CL X 204s mGLU.X 60 2.20 4.59 95.38 1.68 4.77 96.22 0.86 3.83 93.45 0.82 3.24 92.35 1.93 3.48 94.46 1.48 2.27 95.30 2 0 6.89-999 ?-999 ?-999 ? CL CL X 204 mGLU^X 61 -0.01 4.76 93.82 0.16 5.16 94.72 -1.54 6.56 93.27 -1.61 6.94 94.47 -1.12 5.15 92.94 -2.29 4.18 93.14 2 0 -6.49-999 ?-999 ?-999 ? CL CL X 203s mVAL^X 62 -1.78 7.36 92.24 -1.61 6.94 91.34 -3.39 8.98 91.44 -3.24 8.75 90.23 -2.23 8.73 92.41 -1.10 9.77 92.18 3 0 4.25-999 ?-999 ?-999 ? CL CL X 203 mLEU.X 63 -4.51 9.48 91.96 -4.47 9.64 92.95 -6.11 8.56 90.28 -6.59 8.69 89.14 -5.70 9.77 91.13 -5.45 11.02 90.26 3 0 -3.96-999 ?-999 ?-999 ? CL CL X 203s mGLY.X 64 -5.91 7.37 90.83 -5.47 7.40 91.72 -5.36 5.63 89.11 -5.65 4.65 88.42 -6.32 6.13 90.17-999.99-999.99-999.99 1 0 6.01-999 ?-999 ?-999 ? CL CL X 203 mARG^X 65 -4.24 6.34 88.96 -4.16 7.15 89.53 -2.06 5.29 88.76 -1.59 5.85 89.76 -3.23 5.92 88.00 -2.72 7.13 87.22 2 0 8.23-999 ?-999 ?-999 ? CL CL X 203 mLYS^X 66 -1.54 4.17 88.27 -2.08 3.75 87.53 0.78 4.69 88.79 0.99 5.39 87.79 -0.31 3.61 88.78 0.15 2.43 87.91 2 0 10.03-999 ?-999 ?-999 ? CL CL X 203 mCYH.X 67 1.46 4.80 89.92 1.18 4.14 90.61 3.88 5.12 90.11 4.10 4.11 90.80 2.52 5.80 90.11 2.28 6.51 91.43 2 0 10.01-999 ?-999 ?-999 ? C2A COA X 200 mTYR.X 68 4.81 5.67 89.33 4.56 6.55 88.95 7.22 5.69 89.85 7.15 6.88 90.11 6.10 5.01 89.07 6.39 5.04 87.56 3 0 9.13-999 ?-999 ?-999 ? C2A COA X 200 mPRO.X 69 8.25 4.93 90.23 8.23 3.97 89.94 10.38 6.29 90.19 11.27 6.90 90.78 9.32 5.54 91.01 9.96 4.33 91.72 3 0 7.35-999 ?-999 ?-999 ? N1A COA X 200 mSER~X 70 10.31 6.22 88.87 9.58 5.61 88.54 10.57 7.04 86.63 9.65 6.26 86.31 11.22 6.97 87.99 12.59 6.28 87.87 2 0 7.58-999 ?-999 ?-999 ? N1A COA X 200 mVAL~X 71 11.02 7.98 85.80 11.72 8.58 86.18 10.87 6.82 83.64 10.15 6.43 82.72 10.50 8.09 84.44 11.04 9.37 83.74 3 0 9.70-999 ?-999 ?-999 ? C2A COA X 200 mLEU~X 72 12.00 6.20 83.98 12.45 6.58 84.78 11.71 3.78 83.53 11.75 2.83 82.74 12.50 5.06 83.22 14.00 4.88 83.46 3 0 12.03-999 ?-999 ?-999 ? CA CA X 201 mASP~X 73 10.97 3.78 84.62 11.04 4.62 85.16 8.78 2.57 84.24 8.06 1.54 84.29 10.12 2.62 84.97 9.93 2.54 86.49 2 0 12.83-999 ?-999 ?-999 ? N1A COA X 200 mILE~X 74 8.44 3.64 83.54 9.11 4.38 83.55 7.22 2.84 81.57 8.10 3.03 80.75 7.17 3.71 82.82 6.85 5.18 82.43 3 0 13.64-999 ?-999 ?-999 ? C2A COA X 200 mPRO.X 75 6.25 1.89 81.42 5.59 1.86 82.16 5.33 1.55 79.12 4.30 0.96 78.68 6.17 0.97 80.28 5.48 -0.24 80.89 3 0 17.47-999 ?-999 ?-999 ? C2A COA X 200 mASP.X 76 5.78 2.68 78.62 6.61 3.02 79.06 6.11 4.44 77.09 7.02 4.81 77.86 5.12 3.38 77.53 3.82 4.07 78.00 2 0 18.42-999 ?-999 ?-999 ? C2A COA X 200 mLYS.X 77 5.95 4.95 75.88 5.29 4.49 75.29 6.27 7.31 76.35 5.12 7.40 76.77 6.72 6.12 75.51 6.61 6.45 74.02 2 0 18.74-999 ?-999 ?-999 ? C2A COA X 200 mILE.X 78 7.21 8.21 76.61 8.12 7.96 76.26 7.46 10.54 76.43 8.58 10.43 75.92 6.93 9.43 77.32 7.64 9.44 78.71 3 0 16.06-999 ?-999 ?-999 ? C2A COA X 200 mGLU.X 79 6.66 11.58 76.26 5.81 11.52 76.78 7.41 13.97 76.17 8.32 14.70 75.74 7.01 12.72 75.39 5.83 13.01 74.47 2 0 17.63-999 ?-999 ?-999 ? C2A COA X 200 mVAL^X 80 6.72 14.21 77.28 6.03 13.52 77.49 7.23 14.94 79.54 6.45 14.15 80.10 6.97 15.39 78.11 5.75 16.32 78.14 3 0 14.86-999 ?-999 ?-999 ? O5P COA X 200 mVAL^X 81 8.30 15.47 80.13 8.92 15.95 79.51 8.11 16.65 82.23 8.75 17.68 81.99 8.52 15.33 81.58 9.96 14.90 81.90 3 0 11.63-999 ?-999 ?-999 ? C2A COA X 200 mASP^X 82 7.01 16.62 83.00 6.68 15.69 83.15 6.78 17.80 85.04 6.42 16.90 85.80 6.36 17.80 83.57 4.83 17.70 83.41 2 0 9.55-999 ?-999 ?-999 ? O5P COA X 200 mLEU^X 83 7.59 18.80 85.41 7.67 19.52 84.73 7.57 19.59 87.82 7.31 20.79 87.65 8.28 18.80 86.72 9.66 19.39 86.51 3 0 7.64-999 ?-999 ?-999 ? C7P COA X 200 mPHE.X 84 7.24 18.92 88.93 7.45 17.95 88.89 7.53 19.19 91.33 7.03 18.80 92.39 6.66 19.56 90.11 5.23 19.08 90.38 3 0 -4.73-999 ?-999 ?-999 ? CDP COA X 200s mVAL.X 85 8.85 19.28 91.15 9.14 19.52 90.22 10.76 20.19 92.32 10.93 20.95 91.37 9.77 19.04 92.23 10.53 17.71 92.05 3 0 -4.11-999 ?-999 ?-999 ? CEP COA X 200s mLYS~X 86 11.42 20.29 93.46 11.25 19.55 94.11 13.48 21.42 92.72 13.86 20.37 92.21 12.31 21.42 93.71 12.78 21.37 95.15 2 0 -4.34-999 ?-999 ?-999 ? CEP COA X 200s mPRO~X 87 14.05 22.61 92.42 13.69 23.40 92.93 16.21 21.66 91.45 16.55 21.10 90.40 15.10 22.71 91.41 15.66 24.13 91.64 3 0 7.28-999 ?-999 ?-999 ? CEP COA X 200 mLYS~X 88 16.78 21.35 92.62 16.40 21.79 93.44 17.52 18.99 92.25 18.33 18.25 91.68 17.91 20.42 92.63 18.67 20.47 93.96 2 0 9.62-999 ?-999 ?-999 ? N6A COA X 200 mLEU~X 89 16.27 18.63 92.54 15.75 19.32 93.03 15.57 17.16 90.63 15.57 16.03 90.08 15.76 17.30 92.13 14.40 17.05 92.80 3 0 -6.11-999 ?-999 ?-999 ? N6A COA X 200s mTHR~X 90 15.43 18.30 89.93 15.51 19.14 90.46 16.36 17.70 87.69 16.15 17.18 86.62 15.16 18.23 88.50 14.68 19.58 87.90 2 0 8.58-999 ?-999 ?-999 ? N6A COA X 200 mMET~X 91 17.59 17.82 88.20 17.65 18.27 89.09 18.62 15.80 87.17 18.79 15.36 86.04 18.74 17.30 87.43 20.09 17.59 88.10 2 0 7.49-999 ?-999 ?-999 ? CA CA X 201 mGLU~X 92 18.31 15.02 88.20 18.18 15.47 89.08 17.02 13.28 87.03 17.11 12.36 86.20 18.17 13.58 87.96 18.00 12.82 89.28 2 0 -5.05-999 ?-999 ?-999 ? CA CA X 201s mTYR~X 93 15.93 14.03 87.14 16.00 14.77 87.81 14.97 14.12 84.85 14.45 13.46 83.94 14.75 13.75 86.31 13.48 14.35 86.90 3 0 -8.15-999 ?-999 ?-999 ? N1A COA X 200s mVAL~X 94 15.77 15.16 84.62 16.05 15.66 85.43 17.07 14.38 82.65 16.92 14.01 81.49 16.19 15.48 83.25 16.88 16.89 83.20 3 0 8.78-999 ?-999 ?-999 ? CA CA X 201 mGLU~X 95 17.99 13.85 83.44 18.07 14.28 84.34 17.95 11.51 82.64 18.22 10.83 81.64 18.81 12.73 83.00 19.84 12.36 84.06 2 0 -5.95-999 ?-999 ?-999 ? CA CA X 201s mGLN~X 96 16.94 11.24 83.46 16.89 11.82 84.27 15.22 10.48 81.84 15.03 9.59 81.00 15.99 10.16 83.13 14.99 9.95 84.27 2 0 7.61-999 ?-999 ?-999 ? CA CA X 201 mALA~X 97 14.77 11.72 81.69 14.98 12.31 82.48 14.88 11.92 79.22 14.36 11.41 78.23 14.05 12.17 80.48 13.68 13.66 80.59 2 0 10.84-999 ?-999 ?-999 ? CA CA X 201 mILE~X 98 16.16 12.29 79.27 16.42 12.74 80.12 17.19 10.56 77.81 17.07 10.15 76.64 17.07 12.05 78.14 18.46 12.68 78.43 3 0 10.69-999 ?-999 ?-999 ? CA CA X 201 mLYS~X 99 17.42 9.75 78.83 17.47 10.21 79.72 16.30 7.67 78.11 16.37 6.69 77.36 17.58 8.31 78.65 18.02 7.66 79.95 2 0 10.20-999 ?-999 ?-999 ? CA CA X 201 mLYS~X 100 15.16 8.24 78.48 15.29 9.05 79.05 13.50 8.10 76.65 12.65 7.47 76.02 13.83 7.74 78.10 12.76 8.30 79.06 2 0 12.89-999 ?-999 ?-999 ? CA CA X 201 mGLY~X 101 14.19 9.11 76.12 14.90 9.48 76.71 12.68 10.54 74.75 11.98 10.65 73.74 13.88 9.60 74.78-999.99-999.99-999.99 1 0 15.19-999 ?-999 ?-999 ? CA CA X 201 mALA.X 102 12.44 11.23 75.87 13.02 10.99 76.66 11.83 13.42 75.00 13.01 13.56 74.66 11.42 12.26 75.92 11.20 12.77 77.35 2 0 15.87-999 ?-999 ?-999 ? CA CA X 201 mLYS.X 103 10.85 14.21 74.60 9.97 13.99 75.01 11.08 16.67 74.31 11.65 17.62 73.76 11.05 15.31 73.65 9.95 15.30 72.59 2 0 14.92-999 ?-999 ?-999 ? CL CL X 202 mVAL^X 104 10.42 16.77 75.47 10.11 15.90 75.85 10.42 17.93 77.60 9.90 16.98 78.21 10.19 18.06 76.11 8.74 18.56 75.86 3 0 12.15-999 ?-999 ?-999 ? CL CL X 202 mVAL^X 105 11.17 18.86 78.18 11.66 19.45 77.55 10.49 20.26 79.99 10.76 21.32 79.40 11.24 18.99 79.65 12.72 19.06 80.18 3 0 10.24-999 ?-999 ?-999 ? CL CL X 202 mTRP^X 106 9.51 20.16 80.89 9.43 19.25 81.31 8.85 21.67 82.72 8.38 20.95 83.61 8.66 21.30 81.24 7.18 21.00 80.94 3 0 9.85-999 ?-999 ?-999 ? O5P COA X 200 mPHE^X 107 9.54 22.80 82.96 9.90 23.23 82.13 8.50 24.15 84.77 8.26 25.28 84.26 9.73 23.33 84.32 10.99 24.21 84.38 3 0 7.86-999 ?-999 ?-999 ? O5P COA X 200 mGLN.X 108 7.73 23.62 85.71 8.01 22.69 85.98 7.14 25.48 87.20 8.35 25.57 87.36 6.59 24.35 86.31 5.70 23.42 87.14 2 0 -4.02-999 ?-999 ?-999 ? O5P COA X 200s mTYR.X 109 6.27 26.32 87.77 5.30 26.10 87.61 7.57 26.96 89.74 7.18 25.99 90.39 6.76 27.48 88.56 5.64 28.35 89.13 3 0 -3.95-999 ?-999 ?-999 ? O5P COA X 200s mASN.X 110 8.69 27.63 90.00 8.89 28.34 89.33 10.38 26.08 91.06 10.95 25.64 92.06 9.53 27.35 91.16 8.69 27.39 92.45 2 0 -4.83-999 ?-999 ?-999 ? OAP COA X 200s mTHR.X 111 10.48 25.50 89.86 10.00 25.98 89.12 12.50 24.43 88.78 13.32 23.50 88.64 11.25 24.27 89.65 10.37 23.16 89.00 2 0 5.25-999 ?-999 ?-999 ? CEP COA X 200 mTYR.X 112 12.63 25.60 88.17 11.94 26.28 88.41 15.13 25.61 87.80 15.47 26.11 88.88 13.72 25.83 87.24 13.57 27.23 86.62 3 0 -8.22-999 ?-999 ?-999 ? CL CL X 202s mASN~X 113 15.94 24.87 87.05 15.50 24.52 86.23 18.18 24.79 86.14 17.97 24.12 85.13 17.34 24.59 87.39 17.46 23.14 87.91 2 0 8.31-999 ?-999 ?-999 ? CL CL X 202 mARG~X 114 19.13 25.74 86.19 19.21 26.20 87.07 20.80 24.87 84.51 20.93 24.69 83.30 19.97 26.04 85.01 20.91 27.22 85.28 2 0 -6.52-999 ?-999 ?-999 ? CL CL X 202s mGLU~X 115 21.38 24.09 85.42 21.20 24.35 86.37 21.39 21.86 84.34 21.80 21.28 83.32 22.22 22.97 85.01 23.03 22.41 86.20 2 0 9.13-999 ?-999 ?-999 ? CL CL X 202 mALA~X 116 20.22 21.57 84.92 20.06 22.06 85.77 18.84 21.07 82.92 18.83 20.29 81.97 19.28 20.61 84.31 18.06 20.44 85.23 2 0 8.92-999 ?-999 ?-999 ? CL CL X 202 mSER~X 117 18.48 22.35 82.79 18.50 22.87 83.65 19.26 22.80 80.51 19.05 22.45 79.36 18.09 22.91 81.50 17.61 24.35 81.66 2 0 -5.40-999 ?-999 ?-999 ? CL CL X 202s mLYS~X 118 20.48 23.04 80.98 20.49 23.36 81.93 21.78 21.44 79.57 21.94 21.29 78.35 21.69 22.85 80.15 22.97 23.19 80.93 2 0 7.15-999 ?-999 ?-999 ? CL CL X 202 mLYS~X 119 21.71 20.42 80.43 21.63 20.70 81.38 20.65 18.73 78.96 20.92 18.06 77.96 21.73 19.02 79.98 21.62 18.05 81.16 2 0 10.18-999 ?-999 ?-999 ? CL CL X 202 mALA~X 120 19.42 19.20 79.19 19.34 19.74 80.03 18.62 19.49 76.88 18.44 18.81 75.86 18.32 18.92 78.28 17.01 19.50 78.82 2 0 9.15-999 ?-999 ?-999 ? CL CL X 202 mASP~X 121 19.12 20.72 76.87 19.29 21.08 77.79 20.44 20.76 74.80 20.25 20.51 73.60 19.38 21.47 75.63 19.81 22.90 76.01 2 0 8.05-999 ?-999 ?-999 ? CL CL X 202 mGLU~X 122 21.53 20.38 75.46 21.51 20.60 76.43 22.25 18.36 74.25 22.88 17.86 73.31 22.65 19.71 74.81 23.81 19.54 75.79 2 0 11.27-999 ?-999 ?-999 ? CL CL X 202 mALA~X 123 21.20 17.76 74.81 20.79 18.26 75.57 19.58 16.69 73.29 19.05 15.73 72.74 20.69 16.49 74.33 20.19 15.64 75.51 2 0 13.19-999 ?-999 ?-999 ? CL CL X 202 mGLY.X 124 19.23 17.93 73.01 19.65 18.63 73.59 16.82 18.22 72.33 15.96 18.24 71.46 18.28 18.22 71.94-999.99-999.99-999.99 1 0 12.46-999 ?-999 ?-999 ? CL CL X 202 mLEU.X 125 16.53 18.19 73.63 17.30 18.06 74.24 14.66 19.81 74.04 15.44 20.76 74.20 15.15 18.36 74.06 14.93 17.72 75.43 3 0 11.09-999 ?-999 ?-999 ? CL CL X 202 mILE^X 126 13.36 19.98 73.84 12.86 19.15 73.58 12.60 21.56 75.50 12.16 20.70 76.28 12.73 21.26 74.00 11.35 21.27 73.33 3 0 9.47-999 ?-999 ?-999 ? CL CL X 202 mILE^X 127 12.96 22.78 75.89 13.36 23.34 75.17 11.65 24.26 77.34 11.65 25.29 76.63 12.77 23.23 77.27 14.10 23.79 77.86 3 0 6.38-999 ?-999 ?-999 ? CL CL X 202 mVAL^X 128 10.66 23.97 78.18 10.70 23.04 78.55 9.93 25.34 79.96 10.13 24.49 80.83 9.63 24.93 78.53 8.19 24.36 78.41 3 0 7.54-999 ?-999 ?-999 ? CL CL X 202 mALA^X 129 10.02 26.65 80.21 9.76 27.24 79.45 9.54 28.17 82.13 9.06 29.08 81.43 10.46 27.12 81.52 11.91 27.62 81.46 2 0 6.34-999 ?-999 ?-999 ? CL CL X 202 mASN.X 130 9.27 28.00 83.42 9.71 27.19 83.82 7.04 29.12 83.55 6.55 30.24 83.40 8.42 28.91 84.17 9.16 30.24 84.37 2 0 7.47-999 ?-999 ?-999 ? O5P COA X 200 mARG.X 131 6.41 28.01 83.15 6.96 27.17 83.22 4.27 26.89 83.34 4.89 25.97 83.87 5.03 28.04 82.66 4.97 27.80 81.14 2 0 6.55-999 ?-999 ?-999 ? O5P COA X 200 mCYH~X 132 2.94 26.93 83.30 2.57 27.77 82.91 1.42 25.15 82.59 0.84 25.84 81.76 2.12 25.83 83.78 1.07 26.34 84.76 2 0 -4.85-999 ?-999 ?-999 ? O5P COA X 200s mMET~X 133 1.46 23.82 82.51 2.00 23.36 83.21 -0.77 23.43 81.43 -1.38 23.58 80.36 0.73 23.14 81.43 0.97 21.61 81.49 2 0 7.56-999 ?-999 ?-999 ? S1P COA X 200 mMET~X 134 -1.38 23.48 82.62 -0.79 23.28 83.40 -3.08 25.24 82.25 -4.01 25.48 81.47 -2.79 23.81 82.73 -3.26 23.61 84.16 2 0 5.95-999 ?-999 ?-999 ? S1P COA X 200 mARG~X 135 -2.30 26.20 82.73 -1.56 25.87 83.32 -2.31 27.87 80.91 -3.10 28.58 80.29 -2.53 27.61 82.39 -1.67 28.52 83.25 2 0 -5.30-999 ?-999 ?-999 ? S1P COA X 200s mGLU~X 136 -1.25 27.28 80.36 -0.70 26.75 81.00 -2.05 26.72 78.09 -2.47 27.26 77.05 -0.96 27.41 78.92 0.42 26.84 78.57 2 0 8.63-999 ?-999 ?-999 ? S1P COA X 200 mHIS~X 137 -2.52 25.56 78.54 -2.06 25.20 79.35 -4.90 25.76 77.88 -5.55 25.92 76.85 -3.64 24.89 77.85 -3.96 23.53 78.50 3 0 10.17-999 ?-999 ?-999 ? S1P COA X 200 mGLU~X 138 -5.26 26.29 79.06 -4.64 26.06 79.81 -6.36 28.33 78.28 -7.29 28.62 77.54 -6.45 27.12 79.21 -6.64 27.58 80.67 2 0 9.73-999 ?-999 ?-999 ? S1P COA X 200 mARG~X 139 -5.21 29.00 78.30 -4.54 28.57 78.91 -4.94 30.02 76.00 -5.41 30.89 75.25 -4.93 30.22 77.52 -3.56 30.75 77.97 2 0 11.08-999 ?-999 ?-999 ? S1P COA X 200 mLEU~X 140 -4.41 28.90 75.54 -4.18 28.23 76.24 -5.21 27.77 73.45 -5.48 27.90 72.25 -4.19 28.69 74.11 -2.77 28.19 73.84 3 0 13.81-999 ?-999 ?-999 ? S1P COA X 200 mLEU~X 141 -5.79 26.86 74.23 -5.56 26.94 75.20 -8.06 25.75 74.32 -8.91 24.99 73.87 -6.68 25.83 73.67 -6.01 24.45 73.72 3 0 14.88-999 ?-999 ?-999 ? S1P COA X 200 mGLY~X 142 -8.28 26.53 75.38 -7.54 27.18 75.57 -10.72 27.05 75.53 -10.59 28.06 74.83 -9.51 26.41 76.17-999.99-999.99-999.99 1 0 13.96-999 ?-999 ?-999 ? S1P COA X 200