Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.21 2 0.0104 0.25 2 7.9 0.30 0 0.7306 3.50 2 2.38 2 0.0110 0.25 3 8.8 0.30 0 0.8332 3.86 3 2.40 3 0.0116 0.36 3 8.3 0.30 0 0.8067 3.92 4 2.42 2 0.0108 0.23 4 8.3 0.30 0 0.8530 4.22 5 2.50 1 0.0104 0.25 5 8.9 0.30 0 0.7070 3.79 6 2.52 2 0.0111 0.32 4 8.6 0.30 0 0.7653 3.31 7 2.56 3 0.0115 0.23 3 9.1 0.30 0 0.8911 4.59 8 2.58 2 0.0119 0.36 4 8.6 0.30 0 0.7375 3.83 9 2.60 3 0.0118 0.44 5 8.3 0.30 0 0.6907 3.28 10 2.63 1 0.0101 0.24 7 8.9 0.30 0 0.8186 4.40 11 2.74 3 0.0116 0.35 5 9.1 0.31 0 0.9164 3.99 12 2.76 1 0.0104 0.20 6 10.1 0.30 0 0.8854 4.36 13 2.81 2 0.0114 0.27 4 9.8 0.30 0 1.0070 4.72 14 2.83 2 0.0103 0.23 8 9.8 0.30 0 0.7402 3.14 15 2.84 3 0.0113 0.33 4 9.3 0.30 0 0.9844 4.63 16 2.87 3 0.0117 0.31 5 10.3 0.30 0 0.8156 4.07 17 2.97 3 0.0122 0.32 6 9.5 0.30 1 0.9342 5.85 18 2.98 4 0.0121 0.25 6 8.8 0.36 0 0.9367 4.71 19 3.01 2 0.0129 0.29 4 9.5 0.28 1 0.8813 5.11 20 3.04 6 0.0147 0.56 3 8.4 0.30 1 0.9493 5.45 Ave 2.68 3 0.0115 0.30 5 9.0 0.30 0 0.8442 4.24 +/- 0.23 1 0.0010 0.08 1 0.6 0.01 0 0.0925 0.70 Min 2.21 1 0.0101 0.20 2 7.9 0.28 0 0.6907 3.14 Max 3.04 6 0.0147 0.56 8 10.3 0.36 1 1.0070 5.85 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H THR 99 - HB THR 99 3.30 8 0.09 0.24 ++ + * +++ + peak 2201 Upper H VAL 168 - H LEU 169 4.09 6 0.11 0.25 *+ + + + + peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 20 0.25 0.29 ++++++++++++++*+++++ VdW CG2 ILE 32 - C ILE 32 2.90 8 0.18 0.24 + *++ + +++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++*+++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 11 0.20 0.23 + + + + +++ + ++ * VdW HA ASP 123 - CD PRO 124 2.60 10 0.21 0.31 + + + +*+ + +++ 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.44 +/- 0.10 A (0.28..0.71 A; 20 structures) Average heavy atom RMSD to mean : 0.93 +/- 0.10 A (0.75..1.11 A; 20 structures)