Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.56 4 0.0085 0.23 1 11.0 0.20 0 0.5770 3.11 2 2.56 5 0.0084 0.25 0 10.7 0.18 0 0.5950 3.68 3 2.71 3 0.0091 0.30 1 11.2 0.28 0 0.5440 4.52 4 2.74 4 0.0091 0.26 1 11.3 0.22 0 0.5809 4.36 5 2.80 3 0.0090 0.27 1 11.7 0.22 0 0.5673 3.22 6 2.88 8 0.0096 0.34 0 11.1 0.19 0 0.6971 4.77 7 2.89 4 0.0091 0.24 1 11.6 0.29 0 0.5808 3.62 8 2.97 4 0.0089 0.24 2 12.5 0.28 0 0.5308 4.47 9 3.00 5 0.0092 0.26 2 11.4 0.28 0 0.5755 3.55 10 3.08 4 0.0094 0.23 1 11.9 0.20 0 0.6066 3.43 11 3.08 4 0.0089 0.24 1 12.9 0.22 0 0.6389 4.98 12 3.17 6 0.0096 0.28 0 13.1 0.19 0 0.5769 4.38 13 3.18 4 0.0096 0.28 1 12.9 0.22 0 0.6879 4.49 14 3.21 7 0.0099 0.29 1 12.4 0.27 0 0.6065 4.67 15 3.21 4 0.0094 0.30 2 12.2 0.28 1 0.6671 5.19 16 3.28 6 0.0093 0.26 2 12.5 0.28 0 0.6117 3.74 17 3.28 4 0.0097 0.26 0 13.6 0.20 0 0.6457 4.83 18 3.32 8 0.0104 0.31 2 12.4 0.23 0 0.6268 3.97 19 3.33 7 0.0099 0.28 1 13.1 0.23 0 0.6464 4.12 20 3.34 6 0.0099 0.27 1 12.9 0.27 0 0.6615 4.06 Ave 3.03 5 0.0093 0.27 1 12.1 0.24 0 0.6112 4.16 +/- 0.25 2 0.0005 0.03 1 0.8 0.04 0 0.0453 0.59 Min 2.56 3 0.0084 0.23 0 10.7 0.18 0 0.5308 3.11 Max 3.34 8 0.0104 0.34 2 13.6 0.29 1 0.6971 5.19 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QE TYR 52 - QB LEU 396 3.81 11 0.20 0.24 ++ ++ ++ ++++ * peak 8330 Upper HG LEU 62 - H GLU 413 5.50 20 0.25 0.28 +++++++++++++*++++++ peak 11270 Upper QB LEU 96 - QE TYR 352 3.81 10 0.20 0.26 ++ ++ ++ + * ++ peak 18330 Upper QD2 LEU 96 - HB3 GLN 101 5.50 6 0.19 0.21 + + +* ++ peak 4418 Upper H GLU 113 - HG LEU 362 5.50 18 0.22 0.28 ++++++++ +*++++++++ peak 1270 VdW CG HIS 51 - C HIS 51 2.90 8 0.17 0.23 ++ +++ + *+ 5 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.41 +/- 0.11 A (0.23..0.63 A; 20 structures) Average heavy atom RMSD to mean : 0.89 +/- 0.07 A (0.76..1.02 A; 20 structures)