Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.67 0 0.0081 0.17 2 6.8 0.31 0 0.6365 3.70 2 1.72 0 0.0075 0.20 4 6.5 0.30 0 0.6990 3.58 3 1.88 0 0.0087 0.18 3 6.9 0.30 0 0.8554 4.70 4 1.89 2 0.0084 0.24 4 7.6 0.25 1 0.7359 5.18 5 2.00 0 0.0078 0.20 3 7.7 0.30 0 0.6687 3.50 6 2.03 1 0.0083 0.20 4 8.0 0.29 1 0.8137 5.13 7 2.23 1 0.0098 0.26 5 8.2 0.27 1 0.8838 5.86 8 2.24 3 0.0105 0.45 3 8.5 0.30 0 0.7621 4.38 9 2.26 1 0.0098 0.41 4 8.1 0.29 0 0.7974 4.81 10 2.39 2 0.0100 0.28 4 8.6 0.30 0 0.9020 4.81 11 2.40 4 0.0103 0.27 5 8.7 0.30 0 0.6912 3.16 12 2.45 2 0.0101 0.31 5 8.5 0.30 1 0.8435 5.70 13 2.48 3 0.0099 0.22 4 9.3 0.24 0 0.8750 4.79 14 2.50 5 0.0116 0.47 3 8.0 0.30 2 0.9177 6.71 15 2.55 3 0.0125 0.47 2 8.2 0.26 0 0.8537 4.79 16 2.56 3 0.0108 0.31 5 8.5 0.30 0 0.7552 3.83 17 2.59 2 0.0119 0.58 3 8.7 0.30 1 0.8229 5.03 18 2.61 2 0.0108 0.35 3 9.0 0.30 0 0.7656 3.69 19 2.62 4 0.0120 0.33 3 9.1 0.30 0 0.7985 4.47 20 2.64 3 0.0110 0.28 6 8.7 0.30 0 0.7384 3.70 Ave 2.29 2 0.0100 0.31 4 8.2 0.29 0 0.7908 4.58 +/- 0.31 1 0.0014 0.11 1 0.7 0.02 1 0.0782 0.88 Min 1.67 0 0.0075 0.17 2 6.5 0.24 0 0.6365 3.16 Max 2.64 5 0.0125 0.58 6 9.3 0.31 2 0.9177 6.71 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW HA ASP 28 - CD PRO 29 2.60 17 0.24 0.30 +++*+++++++ ++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++*++++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 11 0.20 0.24 +++ ++++ ++ + * VdW HA ASP 123 - CD PRO 124 2.60 7 0.20 0.31 *+ + + ++ + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.46 +/- 0.06 A (0.35..0.57 A; 20 structures) Average heavy atom RMSD to mean : 0.98 +/- 0.07 A (0.88..1.10 A; 20 structures)