Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.55 3 0.0120 0.49 1 7.0 0.23 0 0.4151 3.50 2 2.66 4 0.0113 0.35 0 7.6 0.19 0 0.5232 4.78 3 2.99 4 0.0120 0.36 1 9.1 0.20 0 0.5511 4.84 4 3.02 4 0.0123 0.47 1 8.7 0.22 0 0.4265 2.96 5 3.04 2 0.0113 0.47 2 7.7 0.22 0 0.4038 3.14 6 3.14 4 0.0122 0.47 1 8.1 0.21 0 0.4563 3.28 7 3.18 3 0.0119 0.48 3 7.6 0.25 0 0.4165 3.47 8 3.18 3 0.0120 0.46 0 8.6 0.17 0 0.3906 2.60 9 3.26 2 0.0121 0.47 1 8.0 0.22 0 0.3442 3.17 10 3.33 4 0.0126 0.49 3 9.8 0.23 0 0.4079 2.84 11 3.38 5 0.0126 0.48 2 9.0 0.21 0 0.4381 2.67 12 3.45 3 0.0114 0.41 2 9.5 0.23 0 0.5088 4.46 13 3.46 2 0.0124 0.46 1 9.3 0.24 0 0.4122 3.28 14 3.47 3 0.0133 0.46 1 8.9 0.21 0 0.3994 2.74 15 3.54 2 0.0118 0.47 5 9.8 0.25 1 0.5592 5.39 16 3.60 4 0.0126 0.46 3 9.2 0.29 0 0.3846 2.99 17 3.68 4 0.0124 0.47 1 8.4 0.23 0 0.4414 3.28 18 3.73 4 0.0128 0.48 1 9.4 0.23 0 0.4118 3.24 19 3.74 3 0.0129 0.45 1 8.8 0.20 0 0.3763 2.49 20 3.74 4 0.0136 0.51 3 8.5 0.28 0 0.3552 2.65 Ave 3.31 3 0.0123 0.46 2 8.7 0.23 0 0.4311 3.39 +/- 0.33 1 0.0006 0.04 1 0.8 0.03 0 0.0591 0.80 Min 2.55 2 0.0113 0.35 0 7.0 0.17 0 0.3442 2.49 Max 3.74 5 0.0136 0.51 5 9.8 0.29 1 0.5592 5.39 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLU 67 - HG2 GLU 67 4.35 6 0.09 0.23 +* + + + + peak 950 Upper H GLU 114 - HG2 GLU 114 4.09 16 0.38 0.51 + ++++++++ ++ ++++* peak 3869 Upper HA ALA 116 - HB VAL 119 4.22 16 0.29 0.36 ++*+++++ +++++ + ++ peak 3890 VdW CG HIS 51 - C HIS 51 2.90 9 0.18 0.25 + + +++ + ++* VdW H LEU 118 - CG LEU 118 2.55 8 0.16 0.23 * ++++ + + + 3 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.11 A (0.23..0.65 A; 20 structures) Average heavy atom RMSD to mean : 0.80 +/- 0.07 A (0.68..0.97 A; 20 structures)