Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.70 1 0.0095 0.23 1 8.0 0.24 0 0.3321 2.57 2 2.83 0 0.0098 0.20 0 7.6 0.16 0 0.4089 2.89 3 3.06 1 0.0103 0.29 2 9.1 0.25 0 0.4201 2.80 4 3.07 4 0.0105 0.24 1 8.6 0.24 1 0.6360 6.39 5 3.11 1 0.0109 0.20 3 8.9 0.28 0 0.3770 2.73 6 3.12 2 0.0101 0.21 2 7.8 0.25 0 0.4144 2.41 7 3.15 2 0.0095 0.25 1 7.6 0.22 0 0.4199 2.83 8 3.22 3 0.0110 0.24 2 9.4 0.23 0 0.3836 2.53 9 3.40 4 0.0108 0.27 0 9.5 0.18 0 0.3940 2.50 10 3.44 3 0.0104 0.33 5 9.7 0.29 0 0.4030 2.59 11 3.46 5 0.0116 0.40 1 9.0 0.25 0 0.5391 3.50 12 3.48 1 0.0099 0.23 0 8.5 0.19 0 0.3998 3.15 13 3.51 8 0.0126 0.27 1 9.7 0.25 0 0.4170 2.53 14 3.67 7 0.0116 0.33 1 9.0 0.23 0 0.4614 2.88 15 3.76 2 0.0109 0.25 1 9.6 0.24 0 0.4554 3.33 16 3.77 5 0.0113 0.26 2 10.4 0.24 0 0.4886 2.77 17 3.80 4 0.0118 0.35 2 9.4 0.22 0 0.4199 2.18 18 3.80 1 0.0095 0.20 3 9.8 0.28 0 0.4107 3.19 19 3.88 2 0.0109 0.23 1 8.5 0.22 0 0.4241 3.19 20 3.97 5 0.0106 0.26 5 9.4 0.40 0 0.3725 1.89 Ave 3.41 3 0.0107 0.26 2 9.0 0.24 0 0.4289 2.94 +/- 0.35 2 0.0008 0.05 1 0.8 0.05 0 0.0639 0.88 Min 2.70 0 0.0095 0.20 0 7.6 0.16 0 0.3321 1.89 Max 3.97 8 0.0126 0.40 5 10.4 0.40 1 0.6360 6.39 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QG PRO 112 - HG LEU 362 4.59 7 0.13 0.29 *+ + + ++ + peak 3779 VdW CG HIS 51 - C HIS 51 2.90 14 0.20 0.25 + +++ +* ++++++++ 1 violated distance constraint. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.43 +/- 0.14 A (0.21..0.86 A; 20 structures) Average heavy atom RMSD to mean : 0.85 +/- 0.09 A (0.67..1.10 A; 20 structures)