Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.58 1 0.0065 0.27 3 6.8 0.30 0 0.6535 3.73 2 1.79 4 0.0096 0.27 1 7.0 0.30 0 0.6797 4.44 3 1.81 0 0.0077 0.19 3 7.1 0.30 0 0.8809 4.80 4 1.83 0 0.0073 0.18 5 7.1 0.30 0 0.6682 3.78 5 1.87 2 0.0101 0.48 2 6.6 0.27 1 0.7710 7.42 6 1.87 2 0.0091 0.32 3 7.2 0.30 1 0.8090 5.21 7 1.89 1 0.0084 0.22 3 7.3 0.30 0 0.6634 3.27 8 1.92 3 0.0092 0.32 3 7.7 0.30 0 0.6564 3.86 9 1.96 2 0.0091 0.33 2 7.8 0.30 0 0.8719 4.67 10 1.99 3 0.0090 0.30 3 8.1 0.29 0 0.7192 3.98 11 2.01 4 0.0108 0.40 1 8.2 0.30 0 0.6066 4.22 12 2.02 3 0.0100 0.29 1 7.8 0.27 0 0.8258 4.91 13 2.02 2 0.0092 0.28 3 7.8 0.30 1 0.6740 5.01 14 2.02 3 0.0115 0.49 2 6.4 0.30 0 0.5526 2.89 15 2.02 3 0.0094 0.36 3 7.6 0.30 0 0.7925 4.48 16 2.07 2 0.0091 0.27 4 8.0 0.30 1 0.7362 5.31 17 2.09 0 0.0069 0.16 4 8.6 0.30 0 0.7658 4.27 18 2.10 6 0.0118 0.30 1 6.9 0.30 0 0.7742 4.25 19 2.10 2 0.0096 0.33 4 8.0 0.30 0 0.6749 3.20 20 2.15 2 0.0088 0.37 5 7.6 0.30 1 0.6828 6.25 Ave 1.96 2 0.0092 0.31 3 7.5 0.30 0 0.7229 4.50 +/- 0.13 1 0.0013 0.09 1 0.6 0.01 0 0.0847 1.03 Min 1.58 0 0.0065 0.16 1 6.4 0.27 0 0.5526 2.89 Max 2.15 6 0.0118 0.49 5 8.6 0.30 1 0.8809 7.42 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD1 LEU 17 - HA3 GLY 78 4.03 7 0.10 0.24 + + ++* ++ peak 3088 Upper QD2 LEU 17 - HA3 GLY 78 4.03 9 0.13 0.36 + + ++++ *+ + peak 527 VdW HA ASP 28 - CD PRO 29 2.60 14 0.21 0.25 + *+++++++ +++ ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++*+++++++++++++++++ VdW HA ASP 123 - CD PRO 124 2.60 8 0.18 0.29 + + + + * ++ + 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.49 +/- 0.07 A (0.36..0.61 A; 20 structures) Average heavy atom RMSD to mean : 0.98 +/- 0.07 A (0.88..1.12 A; 20 structures)