Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.32 1 0.0058 0.23 2 5.2 0.24 0 0.2537 1.93 2 1.43 1 0.0056 0.20 0 5.5 0.14 0 0.1968 0.93 3 1.46 0 0.0059 0.16 1 5.2 0.25 0 0.3239 3.20 4 1.65 0 0.0058 0.19 3 5.9 0.29 0 0.2796 2.80 5 1.65 0 0.0050 0.15 1 5.9 0.21 0 0.3041 2.30 6 1.67 0 0.0071 0.20 1 5.9 0.20 0 0.3369 2.39 7 1.70 2 0.0083 0.38 0 5.0 0.16 0 0.3075 2.21 8 1.75 2 0.0076 0.31 0 5.8 0.15 0 0.2989 1.82 9 1.78 1 0.0067 0.20 0 7.3 0.16 0 0.2770 2.25 10 1.78 1 0.0056 0.24 2 6.7 0.29 0 0.2977 2.29 11 1.79 2 0.0079 0.38 1 5.4 0.20 0 0.3365 2.32 12 1.81 1 0.0070 0.33 1 6.2 0.23 0 0.3010 2.37 13 1.82 1 0.0068 0.20 1 7.3 0.22 0 0.3695 3.02 14 2.01 0 0.0057 0.17 2 6.0 0.29 0 0.2427 1.13 15 2.02 1 0.0066 0.20 2 6.7 0.21 0 0.2973 2.53 16 2.02 1 0.0062 0.27 1 5.8 0.21 0 0.3195 2.48 17 2.04 2 0.0075 0.35 1 6.6 0.24 0 0.3068 2.33 18 2.08 0 0.0056 0.19 2 6.6 0.23 0 0.2914 2.11 19 2.10 0 0.0062 0.17 1 7.2 0.21 0 0.3630 2.66 20 2.10 0 0.0056 0.19 3 7.4 0.29 0 0.2408 1.77 Ave 1.80 1 0.0064 0.24 1 6.2 0.22 0 0.2972 2.24 +/- 0.23 1 0.0009 0.07 1 0.7 0.04 0 0.0406 0.53 Min 1.32 0 0.0050 0.15 0 5.0 0.14 0 0.1968 0.93 Max 2.10 2 0.0083 0.38 3 7.4 0.29 0 0.3695 3.20 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW CG HIS 51 - C HIS 51 2.90 14 0.19 0.25 + *+++ +++ ++++++ 0 violated distance constraints. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.48 +/- 0.13 A (0.27..0.76 A; 20 structures) Average heavy atom RMSD to mean : 0.88 +/- 0.09 A (0.72..1.09 A; 20 structures)