Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.97 0 0.0038 0.14 0 4.3 0.14 0 0.2414 1.61 2 1.48 0 0.0059 0.20 0 5.8 0.18 0 0.2358 1.65 3 1.57 2 0.0065 0.22 1 5.9 0.23 0 0.2966 2.39 4 1.66 1 0.0065 0.33 1 5.6 0.25 0 0.3199 2.91 5 1.69 0 0.0056 0.15 3 6.7 0.29 0 0.2717 2.10 6 1.69 1 0.0059 0.27 0 6.6 0.20 0 0.2731 1.83 7 1.70 0 0.0071 0.19 1 6.4 0.21 0 0.3103 2.25 8 1.75 0 0.0063 0.16 1 5.9 0.22 0 0.2927 2.37 9 1.76 0 0.0060 0.13 0 6.1 0.18 0 0.3142 2.17 10 1.77 0 0.0049 0.14 1 6.0 0.28 0 0.2832 2.23 11 1.80 1 0.0056 0.25 1 5.7 0.22 0 0.3119 2.77 12 1.86 2 0.0076 0.34 1 5.9 0.23 0 0.3632 2.94 13 1.87 0 0.0054 0.18 2 6.5 0.25 0 0.3309 3.08 14 1.92 0 0.0056 0.16 3 6.1 0.29 0 0.2412 1.41 15 1.98 0 0.0072 0.20 0 6.4 0.15 0 0.3190 2.36 16 1.98 1 0.0078 0.39 3 6.3 0.29 0 0.3444 2.44 17 2.01 0 0.0059 0.19 2 6.3 0.29 0 0.3293 2.99 18 2.07 2 0.0078 0.27 2 8.8 0.29 0 0.3275 2.45 19 2.10 0 0.0065 0.19 1 6.9 0.23 0 0.3123 1.80 20 2.14 0 0.0054 0.14 2 6.2 0.29 0 0.2789 2.07 Ave 1.79 1 0.0062 0.21 1 6.2 0.23 0 0.2999 2.29 +/- 0.25 1 0.0010 0.07 1 0.8 0.05 0 0.0341 0.47 Min 0.97 0 0.0038 0.13 0 4.3 0.14 0 0.2358 1.41 Max 2.14 2 0.0078 0.39 3 8.8 0.29 0 0.3632 3.08 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 10 0.17 0.25 +*+ ++ ++ + + + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.44 +/- 0.13 A (0.27..0.91 A; 20 structures) Average heavy atom RMSD to mean : 0.85 +/- 0.10 A (0.69..1.23 A; 20 structures)