Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.86 4 0.0110 0.24 4 13.0 0.23 0 0.6171 3.79 2 4.25 5 0.0114 0.26 6 14.6 0.24 0 0.6208 3.84 3 4.67 3 0.0107 0.26 2 13.3 0.23 0 0.5734 3.21 4 4.76 10 0.0127 0.31 4 15.8 0.23 0 0.7691 3.36 5 4.80 4 0.0101 0.23 6 13.7 0.24 0 0.6045 3.84 6 4.89 5 0.0114 0.30 4 13.2 0.23 0 0.5762 3.63 7 4.91 2 0.0109 0.25 8 14.9 0.24 0 0.5912 3.75 8 5.03 8 0.0122 0.25 2 13.6 0.23 0 0.5959 3.87 9 5.07 4 0.0116 0.21 3 15.9 0.23 0 0.5849 3.42 10 5.08 2 0.0113 0.31 4 13.9 0.24 0 0.3845 1.57 11 5.08 7 0.0119 0.26 4 14.7 0.24 0 0.6161 3.61 12 5.15 8 0.0116 0.24 6 14.2 0.23 0 0.8055 4.48 13 5.26 4 0.0112 0.26 5 14.7 0.24 0 0.6478 3.89 14 5.27 5 0.0117 0.27 5 14.8 0.23 0 0.5949 3.64 15 5.32 14 0.0129 0.28 5 15.2 0.23 0 0.4486 2.12 16 5.37 4 0.0117 0.23 4 14.5 0.25 0 0.5502 3.35 17 5.38 4 0.0115 0.23 3 16.4 0.23 0 0.6305 3.93 18 5.38 5 0.0115 0.29 4 14.9 0.23 0 0.5746 3.57 19 5.44 3 0.0111 0.29 3 14.3 0.23 0 0.6793 3.81 20 5.44 9 0.0121 0.30 4 16.0 0.23 0 0.6550 3.26 Ave 5.02 6 0.0115 0.26 4 14.6 0.23 0 0.6060 3.50 +/- 0.40 3 0.0006 0.03 1 0.9 0.01 0 0.0888 0.62 Min 3.86 2 0.0101 0.21 2 13.0 0.23 0 0.3845 1.57 Max 5.44 14 0.0129 0.31 8 16.4 0.25 0 0.8055 4.48 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 8 0.14 0.31 ++ * ++ ++ + peak 18249 Upper QB LEU 84 - H ARG 370 5.01 7 0.15 0.31 ++ * ++ + + peak 8249 VdW CG HIS 51 - C HIS 51 2.90 7 0.17 0.25 + + + +++* VdW CG GLU 67 - C GLU 67 2.90 11 0.17 0.24 +* +++ ++ ++ + + VdW H LEU 118 - CG LEU 118 2.55 18 0.21 0.23 +++++++++ ++++ ++++* VdW CG HIS 351 - C HIS 351 2.90 8 0.17 0.25 + + + + ++* + VdW CG GLU 367 - C GLU 367 2.90 13 0.18 0.24 ++ +++ +* +++++ + VdW H LEU 418 - CG LEU 418 2.55 15 0.21 0.24 ++++++++ *+++ + ++ 2 violated distance constraints. 6 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.32 +/- 0.10 A (0.17..0.62 A; 20 structures) Average heavy atom RMSD to mean : 0.72 +/- 0.07 A (0.61..0.94 A; 20 structures)