Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.61 2 0.0041 0.19 1 2.7 0.29 0 0.2553 2.67 2 0.71 3 0.0051 0.27 1 3.9 0.24 0 0.3775 3.16 3 0.78 3 0.0046 0.18 1 4.1 0.30 0 0.4502 2.64 4 0.81 1 0.0040 0.16 2 3.8 0.33 0 0.5340 3.65 5 0.84 1 0.0030 0.10 2 3.7 0.32 0 0.3351 3.12 6 0.86 0 0.0024 0.09 3 3.6 0.33 0 0.2754 3.11 7 0.99 2 0.0038 0.13 3 4.5 0.26 0 0.2473 2.33 8 1.02 4 0.0047 0.13 3 3.8 0.32 0 0.2971 2.79 9 1.04 6 0.0063 0.21 2 4.7 0.33 0 0.4554 3.28 10 1.10 4 0.0053 0.21 2 5.0 0.30 0 0.5193 4.06 11 1.10 1 0.0043 0.17 3 4.4 0.33 0 0.4228 3.49 12 1.15 2 0.0051 0.14 3 5.4 0.32 0 0.3966 2.85 13 1.34 4 0.0053 0.19 5 6.0 0.22 1 0.5015 5.33 14 1.35 3 0.0040 0.13 6 5.2 0.30 0 0.2774 2.43 15 1.63 8 0.0067 0.26 5 6.5 0.27 0 0.4782 3.87 16 1.64 4 0.0060 0.23 4 5.8 0.33 0 0.4473 3.42 17 1.64 8 0.0079 0.30 4 5.9 0.30 0 0.4948 3.80 18 1.65 6 0.0088 0.39 5 5.9 0.33 0 0.6717 3.79 19 1.66 5 0.0047 0.14 6 6.3 0.33 0 0.3521 2.76 20 1.67 3 0.0077 0.34 5 6.2 0.30 0 0.3345 2.25 Ave 1.18 4 0.0052 0.20 3 4.9 0.30 0 0.4062 3.24 +/- 0.35 2 0.0016 0.08 2 1.1 0.03 0 0.1086 0.71 Min 0.61 0 0.0024 0.09 1 2.7 0.22 0 0.2473 2.25 Max 1.67 8 0.0088 0.39 6 6.5 0.33 1 0.6717 5.33 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW HA THR 39 - CD PRO 40 2.60 20 0.26 0.30 ++++++++++++++++++*+ VdW CG2 ILE 144 - C ILE 144 2.90 7 0.20 0.33 *+ ++ ++ + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 1.15 +/- 0.26 A (0.65..1.61 A; 20 structures) Average heavy atom RMSD to mean : 1.69 +/- 0.23 A (1.39..2.14 A; 20 structures)