Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.25 2 0.0070 0.23 3 10.3 0.28 0 0.4438 3.86 2 2.28 2 0.0067 0.25 3 9.9 0.28 0 0.4274 3.12 3 2.29 1 0.0072 0.30 2 10.0 0.30 0 0.4627 3.23 4 2.35 4 0.0079 0.25 0 10.3 0.18 0 0.3732 2.98 5 2.40 0 0.0069 0.19 3 11.6 0.28 0 0.4536 2.87 6 2.42 1 0.0073 0.25 1 10.8 0.30 0 0.4725 2.97 7 2.42 3 0.0088 0.33 1 10.0 0.23 0 0.4173 1.98 8 2.45 3 0.0083 0.34 1 10.5 0.24 0 0.4931 3.09 9 2.47 1 0.0076 0.21 2 11.2 0.25 0 0.4442 2.74 10 2.48 2 0.0073 0.21 2 11.6 0.28 0 0.3935 2.54 11 2.48 2 0.0079 0.23 1 10.9 0.24 0 0.3385 1.79 12 2.51 2 0.0087 0.33 1 10.6 0.25 0 0.4660 2.93 13 2.52 1 0.0075 0.29 3 10.5 0.27 0 0.4449 2.91 14 2.55 1 0.0075 0.21 3 11.5 0.28 0 0.3770 1.98 15 2.57 2 0.0082 0.34 3 11.2 0.23 0 0.4426 2.43 16 2.62 2 0.0088 0.35 0 11.2 0.19 0 0.5063 3.86 17 2.69 0 0.0077 0.20 3 11.3 0.27 0 0.4578 2.42 18 2.75 7 0.0093 0.31 0 10.2 0.20 0 0.5519 3.21 19 2.75 4 0.0084 0.33 1 11.4 0.24 0 0.5088 3.36 20 2.75 1 0.0079 0.31 2 11.6 0.30 0 0.4895 3.14 Ave 2.50 2 0.0079 0.27 2 10.8 0.25 0 0.4482 2.87 +/- 0.15 2 0.0007 0.05 1 0.6 0.04 0 0.0500 0.55 Min 2.25 0 0.0067 0.19 0 9.9 0.18 0 0.3385 1.79 Max 2.75 7 0.0093 0.35 3 11.6 0.30 0 0.5519 3.86 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 ++ + +++++*+ + VdW HA ARG 108 - CD PRO 109 2.60 6 0.11 0.29 ++ + + + * VdW CG HIS 351 - C HIS 351 2.90 9 0.16 0.24 + + + ++ + + + * 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.49 +/- 0.15 A (0.30..0.93 A; 20 structures) Average heavy atom RMSD to mean : 0.93 +/- 0.12 A (0.77..1.26 A; 20 structures)