Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.07 0 0.0080 0.19 1 7.4 0.22 0 0.3549 2.35 2 2.35 3 0.0096 0.31 0 7.0 0.14 0 0.3909 2.51 3 2.54 1 0.0090 0.22 0 7.6 0.17 0 0.5205 4.66 4 2.77 2 0.0089 0.22 0 8.1 0.19 0 0.3636 2.94 5 2.79 4 0.0096 0.27 2 8.9 0.22 0 0.3884 2.27 6 2.86 2 0.0088 0.23 0 7.8 0.15 0 0.3296 2.47 7 2.92 2 0.0092 0.23 4 8.5 0.29 0 0.3487 2.14 8 2.98 0 0.0084 0.18 3 8.2 0.29 0 0.4001 2.61 9 3.05 2 0.0091 0.22 2 8.9 0.28 0 0.4343 3.01 10 3.05 1 0.0082 0.23 4 8.2 0.29 0 0.3649 2.71 11 3.10 2 0.0087 0.21 1 8.1 0.22 0 0.3495 2.10 12 3.15 5 0.0124 0.41 0 7.9 0.19 0 0.4305 4.13 13 3.15 3 0.0085 0.25 4 9.2 0.23 0 0.3289 2.26 14 3.15 1 0.0094 0.20 0 8.3 0.15 0 0.4098 2.33 15 3.17 0 0.0085 0.19 1 8.4 0.24 0 0.4582 3.22 16 3.25 4 0.0102 0.31 5 9.0 0.29 0 0.3760 2.34 17 3.33 3 0.0101 0.22 1 8.9 0.24 0 0.3913 2.45 18 3.34 1 0.0091 0.29 0 8.2 0.18 0 0.4006 2.68 19 3.47 3 0.0107 0.27 1 10.2 0.20 0 0.4158 2.70 20 3.48 4 0.0102 0.24 1 8.7 0.23 0 0.3649 2.31 Ave 3.00 2 0.0093 0.24 2 8.4 0.22 0 0.3911 2.71 +/- 0.35 1 0.0010 0.05 2 0.7 0.05 0 0.0451 0.64 Min 2.07 0 0.0080 0.18 0 7.0 0.14 0 0.3289 2.10 Max 3.48 5 0.0124 0.41 5 10.2 0.29 0 0.5205 4.66 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 11 0.18 0.25 + + *+ ++ + +++ + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.39 +/- 0.09 A (0.20..0.56 A; 20 structures) Average heavy atom RMSD to mean : 0.86 +/- 0.08 A (0.65..0.97 A; 20 structures)