Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.03 0 0.0075 0.20 1 7.1 0.21 0 0.3154 2.46 2 2.12 2 0.0077 0.33 0 5.8 0.14 0 0.2263 1.33 3 2.22 1 0.0077 0.22 1 7.0 0.25 0 0.3714 2.38 4 2.27 0 0.0076 0.20 0 6.7 0.18 0 0.3176 2.14 5 2.37 2 0.0085 0.30 2 8.3 0.29 0 0.2879 2.24 6 2.40 1 0.0077 0.25 1 7.3 0.20 0 0.4203 2.35 7 2.50 2 0.0080 0.21 2 8.9 0.23 0 0.3342 2.19 8 2.59 2 0.0085 0.31 0 7.7 0.15 0 0.3124 2.04 9 2.68 0 0.0080 0.19 2 8.5 0.30 0 0.3545 2.36 10 2.76 2 0.0083 0.23 3 8.4 0.25 0 0.3631 2.69 11 2.78 3 0.0105 0.41 0 8.0 0.19 0 0.4182 2.74 12 2.80 1 0.0074 0.22 1 7.3 0.24 0 0.3325 2.15 13 2.92 3 0.0103 0.34 0 7.8 0.19 0 0.3585 2.18 14 3.01 1 0.0074 0.26 3 7.7 0.29 0 0.3134 2.21 15 3.02 4 0.0089 0.33 2 7.9 0.30 0 0.2940 2.22 16 3.04 3 0.0091 0.27 0 8.0 0.17 0 0.4043 3.07 17 3.09 0 0.0078 0.19 1 7.7 0.23 0 0.3852 2.01 18 3.10 2 0.0081 0.27 2 7.7 0.29 0 0.3727 2.45 19 3.14 2 0.0097 0.39 1 7.9 0.22 0 0.4193 2.15 20 3.15 3 0.0086 0.23 0 7.5 0.18 0 0.3145 1.96 Ave 2.70 2 0.0084 0.27 1 7.7 0.22 0 0.3458 2.27 +/- 0.36 1 0.0009 0.07 1 0.7 0.05 0 0.0493 0.34 Min 2.03 0 0.0074 0.19 0 5.8 0.14 0 0.2263 1.33 Max 3.15 4 0.0105 0.41 3 8.9 0.30 0 0.4203 3.07 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 9 0.17 0.25 + * ++ + + + + + 0 violated distance constraints. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.43 +/- 0.11 A (0.25..0.66 A; 20 structures) Average heavy atom RMSD to mean : 0.86 +/- 0.08 A (0.64..0.99 A; 20 structures)