Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.91 0 0.0024 0.07 4 3.3 0.30 0 0.2176 2.70 2 0.92 0 0.0025 0.07 4 3.9 0.30 0 0.2338 2.52 3 1.06 0 0.0026 0.08 4 4.1 0.30 0 0.2552 2.80 4 1.18 3 0.0050 0.15 4 5.2 0.30 0 0.3162 2.62 5 1.19 2 0.0071 0.46 4 3.8 0.30 0 0.2257 2.66 6 1.21 4 0.0051 0.21 5 4.3 0.30 0 0.3367 2.59 7 1.25 1 0.0038 0.21 4 4.7 0.30 0 0.3038 2.83 8 1.30 1 0.0027 0.12 5 5.5 0.29 0 0.2419 2.66 9 1.32 5 0.0050 0.18 4 4.9 0.31 0 0.3757 2.86 10 1.34 4 0.0055 0.20 5 5.1 0.30 0 0.3885 3.52 11 1.36 4 0.0085 0.46 3 4.0 0.30 0 0.2787 2.66 12 1.37 2 0.0080 0.52 4 4.2 0.30 0 0.2584 2.74 13 1.41 9 0.0078 0.26 3 5.0 0.30 0 0.4870 3.06 14 1.51 5 0.0056 0.19 6 5.3 0.30 0 0.3897 2.89 15 1.53 2 0.0040 0.16 5 5.8 0.30 0 0.4108 3.20 16 1.55 2 0.0041 0.13 6 5.9 0.30 0 0.4568 3.77 17 1.55 4 0.0076 0.45 4 5.2 0.30 0 0.4394 2.96 18 1.56 3 0.0075 0.47 4 5.1 0.30 0 0.3057 2.81 19 1.56 8 0.0065 0.23 3 5.7 0.30 0 0.3197 2.89 20 1.57 5 0.0080 0.45 6 4.6 0.30 0 0.3145 2.76 Ave 1.33 3 0.0055 0.25 4 4.8 0.30 0 0.3278 2.87 +/- 0.20 2 0.0020 0.15 1 0.7 0.00 0 0.0787 0.30 Min 0.91 0 0.0024 0.07 3 3.3 0.29 0 0.2176 2.52 Max 1.57 9 0.0085 0.52 6 5.9 0.31 0 0.4870 3.77 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QG1 ILE 144 - H PHE 147 5.28 6 0.05 0.20 + * ++ ++ peak 812 VdW HA ASP 28 - CD PRO 29 2.60 19 0.23 0.29 ++++++*+++++++++++ + VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++++*+++++++ VdW N TYR 60 - HD2 PRO 61 2.45 12 0.20 0.24 ++++++ + + + +* + VdW CB TYR 60 - CD PRO 61 3.20 20 0.27 0.31 ++++++++*+++++++++++ 1 violated distance constraint. 0 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 0.93 +/- 0.14 A (0.72..1.23 A; 20 structures) Average heavy atom RMSD to mean : 1.44 +/- 0.18 A (1.19..1.73 A; 20 structures)