Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.99 5 0.0111 0.27 4 13.1 0.24 0 0.4379 2.34 2 4.46 9 0.0111 0.23 4 14.0 0.24 0 0.6984 4.14 3 4.60 1 0.0100 0.20 3 13.2 0.23 0 0.5237 2.69 4 4.76 4 0.0118 0.27 3 14.4 0.24 0 0.3963 1.76 5 4.76 11 0.0127 0.29 2 15.4 0.23 0 0.4085 1.98 6 4.83 7 0.0114 0.25 3 13.6 0.23 0 0.5881 3.73 7 4.87 3 0.0110 0.23 2 14.6 0.23 0 0.6543 3.68 8 4.92 4 0.0114 0.30 6 15.3 0.23 0 0.6057 3.70 9 5.07 5 0.0113 0.26 7 14.7 0.26 0 0.6435 3.83 10 5.08 4 0.0118 0.31 3 14.8 0.24 0 0.5836 3.86 11 5.10 2 0.0110 0.24 6 15.4 0.23 0 0.6117 3.90 12 5.11 6 0.0119 0.24 4 13.9 0.23 0 0.6080 3.14 13 5.13 4 0.0114 0.24 1 13.8 0.23 0 0.5886 3.45 14 5.26 14 0.0130 0.34 2 15.2 0.22 0 0.5632 3.40 15 5.33 7 0.0119 0.30 2 14.9 0.23 0 0.6226 3.67 16 5.33 7 0.0120 0.25 3 15.9 0.24 0 0.6479 3.14 17 5.35 10 0.0126 0.32 3 14.7 0.23 0 0.5958 4.06 18 5.37 5 0.0115 0.27 5 17.1 0.23 0 0.6013 3.33 19 5.37 5 0.0114 0.26 5 14.0 0.23 0 0.7821 4.01 20 5.40 3 0.0116 0.23 5 15.8 0.23 0 0.6430 3.11 Ave 5.00 6 0.0116 0.26 4 14.7 0.23 0 0.5902 3.35 +/- 0.35 3 0.0007 0.03 2 1.0 0.01 0 0.0902 0.67 Min 3.99 1 0.0100 0.20 1 13.1 0.22 0 0.3963 1.76 Max 5.40 14 0.0130 0.34 7 17.1 0.26 0 0.7821 4.14 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 70 - QB LEU 384 5.01 10 0.17 0.32 + + +++ +++* + peak 18249 Upper QB LEU 84 - H ARG 370 5.01 9 0.16 0.31 + + +++ + +* + peak 8249 VdW CG HIS 51 - C HIS 51 2.90 7 0.17 0.24 * ++ + ++ + VdW CG GLU 67 - C GLU 67 2.90 10 0.16 0.24 +*+++ ++ + ++ VdW H LEU 118 - CG LEU 118 2.55 17 0.21 0.24 ++ ++++++++++*++++ VdW CG HIS 351 - C HIS 351 2.90 7 0.17 0.24 + * + + +++ VdW CG GLU 367 - C GLU 367 2.90 11 0.17 0.24 +*+++ ++ + +++ VdW H LEU 418 - CG LEU 418 2.55 13 0.20 0.23 + ++++++* +++++ 2 violated distance constraints. 6 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.39 +/- 0.17 A (0.19..0.74 A; 20 structures) Average heavy atom RMSD to mean : 0.79 +/- 0.11 A (0.65..1.05 A; 20 structures)