Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.19 0 0.0067 0.19 0 10.3 0.16 0 0.3285 1.45 2 2.20 4 0.0070 0.23 0 8.6 0.16 0 0.3390 1.75 3 2.45 0 0.0064 0.16 1 9.1 0.23 0 0.3911 2.28 4 2.50 0 0.0059 0.15 2 8.3 0.22 0 0.3636 2.44 5 2.53 2 0.0075 0.22 0 11.0 0.16 0 0.4441 2.53 6 2.53 0 0.0067 0.15 2 9.2 0.25 0 0.3674 2.41 7 2.59 0 0.0068 0.19 4 10.0 0.25 0 0.2881 1.39 8 2.60 1 0.0075 0.30 0 8.9 0.16 0 0.3421 1.70 9 2.65 2 0.0078 0.21 6 11.7 0.23 0 0.3412 2.27 10 2.67 2 0.0071 0.24 4 10.2 0.28 0 0.2850 1.51 11 2.68 2 0.0068 0.22 2 9.8 0.25 0 0.3839 3.04 12 2.69 0 0.0072 0.18 0 10.2 0.19 0 0.5531 3.23 13 2.70 0 0.0075 0.20 0 9.0 0.15 0 0.3330 2.02 14 2.76 0 0.0079 0.19 0 10.8 0.19 0 0.3864 2.24 15 2.80 0 0.0069 0.17 0 9.3 0.16 0 0.4033 2.31 16 2.92 0 0.0079 0.19 2 10.9 0.28 0 0.3024 1.47 17 2.93 0 0.0074 0.19 2 10.2 0.25 0 0.4002 2.32 18 2.97 0 0.0060 0.18 0 7.9 0.15 0 0.3663 2.07 19 3.00 1 0.0075 0.21 3 12.2 0.25 0 0.4396 2.91 20 3.02 1 0.0068 0.24 0 9.7 0.16 0 0.3162 1.76 Ave 2.67 1 0.0071 0.20 1 9.9 0.21 0 0.3687 2.15 +/- 0.23 1 0.0006 0.03 2 1.1 0.04 0 0.0608 0.52 Min 2.19 0 0.0059 0.15 0 7.9 0.15 0 0.2850 1.39 Max 3.02 4 0.0079 0.30 6 12.2 0.28 0 0.5531 3.23 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 0.25 ++ +++ * VdW CG HIS 351 - C HIS 351 2.90 6 0.15 0.25 ++ +++ * 0 violated distance constraints. 2 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.46 +/- 0.14 A (0.26..0.82 A; 20 structures) Average heavy atom RMSD to mean : 0.86 +/- 0.12 A (0.72..1.17 A; 20 structures)