Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.95 1 0.0047 0.15 3 3.8 0.30 0 0.4453 2.86 2 0.97 1 0.0044 0.11 3 4.4 0.27 0 0.5491 3.96 3 1.08 1 0.0043 0.12 3 5.6 0.24 0 0.4685 3.07 4 1.08 3 0.0058 0.14 3 4.9 0.28 0 0.7220 4.46 5 1.20 1 0.0046 0.17 6 4.3 0.30 0 0.3456 3.11 6 1.24 3 0.0069 0.29 5 4.5 0.27 0 0.5215 2.92 7 1.35 0 0.0032 0.10 4 5.5 0.33 0 0.4493 2.43 8 1.36 5 0.0071 0.24 4 5.7 0.30 0 0.6032 3.91 9 1.39 8 0.0089 0.29 3 5.0 0.30 0 0.5393 2.96 10 1.41 3 0.0074 0.32 5 5.3 0.29 0 0.4319 2.91 11 1.44 1 0.0043 0.11 7 5.5 0.29 0 0.3826 2.15 12 1.52 8 0.0098 0.24 3 6.1 0.25 0 0.4806 3.00 13 1.65 5 0.0074 0.23 5 6.4 0.27 0 0.5122 2.92 14 1.68 10 0.0108 0.38 3 6.9 0.25 0 0.5361 2.70 15 1.69 9 0.0100 0.26 4 6.4 0.30 0 0.5251 3.27 16 1.70 3 0.0059 0.12 6 6.0 0.33 0 0.4656 3.07 17 1.72 6 0.0094 0.29 6 6.2 0.28 0 0.5491 3.24 18 1.74 3 0.0071 0.26 6 6.4 0.33 0 0.6158 3.11 19 1.77 7 0.0115 0.39 4 6.5 0.28 0 0.5157 2.53 20 1.79 3 0.0058 0.15 9 6.3 0.30 0 0.3876 2.17 Ave 1.44 4 0.0070 0.22 5 5.6 0.29 0 0.5023 3.04 +/- 0.27 3 0.0024 0.09 2 0.9 0.03 0 0.0853 0.55 Min 0.95 0 0.0032 0.10 3 3.8 0.24 0 0.3456 2.15 Max 1.79 10 0.0115 0.39 9 6.9 0.33 0 0.7220 4.46 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H VAL 103 - QD ARG 104 5.34 8 0.07 0.22 +++ ++++ * peak 1973 Upper QG ARG 104 - H ASP 106 4.01 8 0.12 0.32 ++* ++++ + peak 454 Upper HB3 LYS 114 - H THR 115 3.48 7 0.04 0.13 +* ++ + ++ peak 545 VdW HA THR 39 - CD PRO 40 2.60 18 0.26 0.30 ++ ++++++++ +++++++* VdW CG2 ILE 42 - CD1 ILE 42 3.00 20 0.25 0.25 ++++*+++++++++++++++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.24 ++*+++++++++++++++++ 3 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 5.96 +/- 2.11 A (3.45..11.13 A) Average heavy atom RMSD to mean : 6.49 +/- 2.16 A (3.92..11.82 A)