HEADER DE NOVO PROTEIN 28-JAN-08 3C3H COMPND ALPHA/BETA-PEPTIDE BASED ON THE GCN4-PLI SIDE CHAIN COMPND 3 SEQUENCE, WITH AN (ALPHA-ALPHA-BETA) BACKBONE AND CYCLIC BETA- COMPND 4 RESIDUES AT POSITIONS 1, 4, 10, 19, 22, AND 28; COMPND 5 CHAIN: A; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC PEPTIDE AUTHOR W.S.HORNE,J.L.PRICE,S.H.GELLMAN HET ACE A 0 6 HET XPC A 1 17 HET XCP A 4 17 HET B3D A 7 15 HET XCP A 10 17 HET B3L A 13 22 HET B3L A 16 22 HET XCP A 19 17 HET XCP A 22 17 HET HMR A 25 15 HET XPC A 28 17 HET BAL A 31 10 mMET.A 2 11.45 1.54 22.01 11.33 1.59 22.86 10.99 -0.45 20.56 11.46 -0.95 19.53 11.91 0.22 21.60 11.96 -0.67 22.87 2 0 2.45-999 ?-999 ?-999 ? C XPC A 1 mLYS.A 3 9.69 -0.46 20.84 9.35 -0.05 21.52 8.24 -0.39 18.82 7.86 -0.96 17.80 8.69 -1.18 20.05 7.49 -1.48 20.93 2 0 2.44-999 ?-999 ?-999 ? N XCP A 4 mILE.A 5 11.15 1.81 17.14 11.27 1.83 17.99 12.02 -0.03 15.70 12.22 -0.11 14.49 12.30 1.28 16.40 13.55 1.13 17.33 3 0 2.45-999 ?-999 ?-999 ? C XCP A 4 mGLU.A 6 11.55 -1.03 16.44 11.38 -0.96 17.28 10.16 -2.35 14.87 10.30 -2.93 13.82 11.27 -2.39 15.89 10.93 -3.42 17.00 2 0 2.43-999 ?-999 ?-999 ? N B3D A 7 mLYS.A 8 9.59 0.99 12.66 9.78 1.33 13.43 11.29 0.29 10.95 11.42 0.28 9.74 10.50 1.42 11.60 11.46 2.54 12.13 2 0 2.47-999 ?-999 ?-999 ? C B3D A 7 mLEU.A 9 11.80 -0.67 11.73 11.71 -0.72 12.58 11.74 -2.69 10.27 12.18 -3.09 9.18 12.59 -1.77 11.14 13.40 -2.54 12.17 3 0 2.42-999 ?-999 ?-999 ? N XCP A 10 mGLU.A 11 8.50 -1.12 8.54 8.56 -0.71 9.29 9.71 -0.64 6.45 9.50 -0.81 5.28 8.57 -0.28 7.37 8.73 1.16 7.78 2 0 2.39-999 ?-999 ?-999 ? C XCP A 10 mILE.A 12 10.93 -0.73 6.96 11.10 -0.67 7.80 12.06 -2.29 5.50 12.16 -2.40 4.30 12.12 -0.93 6.14 13.43 -0.75 6.94 3 0 2.41-999 ?-999 ?-999 ? N B3L A 13 mSER.A 14 8.79 -3.44 4.43 8.58 -3.08 5.18 8.97 -2.22 2.14 8.70 -2.39 0.95 8.10 -2.87 3.24 6.88 -1.99 3.65 2 0 2.46-999 ?-999 ?-999 ? C B3L A 13 mLYS.A 15 10.02 -1.52 2.49 10.29 -1.42 3.30 11.83 -1.77 0.81 12.13 -1.59 -0.38 10.84 -0.86 1.47 11.64 0.32 2.06 2 0 2.40-999 ?-999 ?-999 ? N B3L A 16 mTYR.A 17 10.40 -5.23 0.16 10.02 -5.12 0.92 9.62 -4.39 -2.11 9.90 -4.75 -3.26 9.48 -5.43 -0.98 7.96 -5.56 -0.59 3 0 2.45-999 ?-999 ?-999 ? C B3L A 16 mHIS.A 18 9.41 -3.12 -1.81 9.26 -2.82 -1.01 10.72 -2.17 -3.70 10.68 -2.01 -4.91 9.43 -2.11 -2.86 9.23 -0.72 -2.22 3 0 2.46-999 ?-999 ?-999 ? N XCP A 19 mGLU.A 20 12.57 -5.67 -4.12 12.24 -5.64 -3.33 11.34 -6.29 -6.20 11.59 -6.81 -7.28 12.03 -6.76 -4.96 11.05 -7.63 -4.17 2 0 2.47-999 ?-999 ?-999 ? C XCP A 19 mASN.A 21 10.42 -5.35 -6.04 10.23 -4.99 -5.28 10.47 -3.84 -8.03 10.38 -3.89 -9.24 9.65 -4.82 -7.15 8.36 -4.23 -6.62 2 0 2.48-999 ?-999 ?-999 ? N XCP A 22 mLEU.A 23 14.15 -4.76 -8.83 14.22 -4.88 -7.98 13.43 -6.53 -10.60 13.80 -6.88 -11.72 14.45 -5.97 -9.60 14.86 -7.08 -8.63 3 0 2.47-999 ?-999 ?-999 ? C XCP A 22 mALA.A 24 12.17 -6.64 -10.19 11.89 -6.40 -9.42 10.82 -6.30 -12.20 10.72 -6.77 -13.30 11.13 -7.20 -11.04 9.82 -7.46 -10.21 2 0 2.41-999 ?-999 ?-999 ? N HMR A 25 mILE.A 26 13.81 -3.89 -13.34 13.89 -3.91 -12.49 14.80 -5.58 -14.88 15.19 -5.61 -16.05 15.00 -4.33 -14.07 16.20 -4.54 -13.11 3 0 2.46-999 ?-999 ?-999 ? C HMR A 25 mLYS.A 27 14.23 -6.63 -14.29 13.97 -6.64 -13.47 13.01 -7.86 -16.19 13.19 -8.51 -17.21 14.02 -7.91 -15.04 13.61 -9.06 -14.11 2 0 2.43-999 ?-999 ?-999 ? N XPC A 28 mLEU.A 29 13.00 -4.43 -18.12 13.13 -4.21 -17.30 14.91 -5.11 -19.56 15.24 -5.06 -20.72 14.07 -4.00 -19.02 14.96 -2.94 -18.36 3 0 2.43-999 ?-999 ?-999 ? C XPC A 28 mLEU.A 30 15.28 -6.09 -18.75 15.07 -6.17 -17.92 15.30 -8.08 -20.23 15.84 -8.58 -21.19 16.10 -7.17 -19.31 16.77 -7.97 -18.22 3 0 2.44-999 ?-999 ?-999 ? N BAL A 31 mGLU.A 32 13.66 -11.39 -18.15 13.30 -10.84 -17.59 13.84 -12.92 -16.28 13.00 -12.24 -15.66 14.54 -12.34 -17.50 15.83 -11.61 -17.08 2 0 2.49-999 ?-999 ?-999 ? C BAL A 31 mARG.A 33 14.17 -14.18 -15.98 14.73 -14.65 -16.43 14.31 -14.40 -13.56 13.70 -14.37 -12.48 13.63 -14.91 -14.83 13.81 -16.44 -14.99 2 0 5.87-999 ?-999 ?-999 ? C BAL A 31