Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.98 0 0.0061 0.15 0 8.2 0.19 0 0.2308 1.37 2 1.99 0 0.0063 0.19 0 7.9 0.18 0 0.2679 1.39 3 2.05 1 0.0063 0.20 0 8.3 0.19 0 0.3287 2.31 4 2.06 0 0.0056 0.16 0 8.9 0.18 0 0.3645 3.29 5 2.07 1 0.0061 0.21 0 8.0 0.17 0 0.3665 2.66 6 2.09 0 0.0072 0.19 0 9.6 0.19 0 0.3995 2.77 7 2.28 0 0.0057 0.15 2 8.9 0.28 0 0.2828 1.35 8 2.40 1 0.0064 0.21 3 9.9 0.22 0 0.3417 1.89 9 2.56 0 0.0068 0.15 2 9.7 0.23 0 0.2870 1.44 10 2.63 2 0.0084 0.28 1 10.9 0.25 0 0.3460 2.19 11 2.67 0 0.0065 0.19 2 9.7 0.21 0 0.2914 1.70 12 2.80 2 0.0076 0.24 0 11.6 0.15 0 0.5163 4.12 13 2.83 0 0.0075 0.18 0 11.6 0.17 0 0.3334 1.48 14 2.86 0 0.0063 0.15 0 11.9 0.18 0 0.3119 1.67 15 2.99 2 0.0074 0.22 2 10.4 0.25 0 0.2945 1.59 16 3.02 3 0.0076 0.24 2 12.0 0.23 0 0.3583 1.93 17 3.02 4 0.0074 0.28 2 9.5 0.26 1 0.5182 5.74 18 3.04 0 0.0065 0.16 2 10.3 0.23 0 0.2692 1.28 19 3.05 0 0.0063 0.19 0 9.1 0.16 0 0.2618 1.44 20 3.09 2 0.0072 0.20 6 11.4 0.28 0 0.3454 2.32 Ave 2.57 1 0.0068 0.20 1 9.9 0.21 0 0.3358 2.20 +/- 0.41 1 0.0007 0.04 2 1.3 0.04 0 0.0733 1.09 Min 1.98 0 0.0056 0.15 0 7.9 0.15 0 0.2308 1.28 Max 3.09 4 0.0084 0.28 6 12.0 0.28 1 0.5182 5.74 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 6 0.16 0.25 ++ + *+ + VdW CG HIS 351 - C HIS 351 2.90 6 0.15 0.24 ++ + *+ + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.46 +/- 0.14 A (0.25..0.81 A; 20 structures) Average heavy atom RMSD to mean : 0.86 +/- 0.10 A (0.70..1.08 A; 20 structures)