Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.81 1 0.0064 0.30 0 8.3 0.14 0 0.3296 1.52 2 1.97 0 0.0058 0.14 0 8.2 0.15 0 0.3575 2.07 3 2.06 0 0.0061 0.16 0 9.5 0.14 0 0.3357 1.86 4 2.19 0 0.0064 0.17 2 9.4 0.24 0 0.3108 1.87 5 2.22 0 0.0063 0.18 0 8.3 0.16 0 0.3555 1.71 6 2.36 0 0.0061 0.15 4 10.2 0.26 0 0.4765 2.72 7 2.46 0 0.0069 0.20 0 9.3 0.18 0 0.4203 2.94 8 2.59 2 0.0059 0.21 0 8.7 0.18 0 0.3241 2.03 9 2.65 2 0.0069 0.27 0 9.9 0.16 0 0.3707 2.42 10 2.70 0 0.0061 0.18 4 9.1 0.22 0 0.3272 2.35 11 2.79 0 0.0073 0.20 4 10.3 0.24 0 0.3576 1.85 12 2.80 1 0.0073 0.20 2 10.5 0.22 0 0.3751 2.38 13 2.83 0 0.0068 0.20 0 9.9 0.18 0 0.4045 2.63 14 2.88 0 0.0061 0.19 2 9.5 0.28 0 0.3826 2.68 15 2.88 0 0.0069 0.16 3 11.5 0.24 0 0.4592 2.27 16 2.91 3 0.0075 0.26 0 9.7 0.18 0 0.3919 2.64 17 2.93 0 0.0072 0.18 2 11.0 0.24 0 0.4214 1.86 18 3.03 3 0.0079 0.28 0 10.2 0.19 0 0.3987 2.94 19 3.06 4 0.0090 0.30 4 11.9 0.23 0 0.4382 2.51 20 3.07 1 0.0074 0.20 1 9.7 0.20 0 0.4597 3.02 Ave 2.61 1 0.0068 0.21 1 9.8 0.20 0 0.3848 2.31 +/- 0.38 1 0.0008 0.05 2 1.0 0.04 0 0.0481 0.44 Min 1.81 0 0.0058 0.14 0 8.2 0.14 0 0.3108 1.52 Max 3.07 4 0.0090 0.30 4 11.9 0.28 0 0.4765 3.02 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 0.15 0.23 + +*+ + + 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 : 0.40 +/- 0.10 A (0.27..0.61 A; 20 structures) Average heavy atom RMSD to mean : 0.81 +/- 0.07 A (0.69..0.95 A; 20 structures)