Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.10 5 0.0135 0.53 2 7.9 0.28 0 0.2911 2.60 2 3.14 3 0.0123 0.53 2 8.4 0.24 0 0.4694 3.36 3 3.25 3 0.0128 0.53 1 8.6 0.22 0 0.4305 3.04 4 3.26 4 0.0135 0.53 1 8.1 0.23 0 0.4750 3.21 5 3.26 4 0.0128 0.53 1 8.8 0.23 0 0.4661 2.99 6 3.32 3 0.0121 0.39 1 9.4 0.21 0 0.5453 4.89 7 3.38 4 0.0130 0.53 2 8.1 0.24 0 0.4186 2.80 8 3.40 5 0.0127 0.52 5 8.6 0.28 0 0.4331 3.32 9 3.41 5 0.0132 0.53 2 8.4 0.24 0 0.5000 3.02 10 3.43 3 0.0125 0.55 1 8.7 0.22 0 0.4553 2.93 11 3.43 3 0.0132 0.55 1 9.0 0.23 0 0.5006 2.88 12 3.44 4 0.0139 0.54 1 10.0 0.22 0 0.5278 3.67 13 3.54 4 0.0126 0.40 3 9.9 0.28 0 0.5098 4.14 14 3.59 4 0.0133 0.55 2 9.5 0.24 0 0.4728 3.46 15 3.62 4 0.0126 0.52 3 8.6 0.24 0 0.4498 3.42 16 3.62 7 0.0135 0.53 0 9.3 0.17 0 0.3891 2.64 17 3.66 9 0.0141 0.54 1 10.1 0.21 0 0.4713 2.99 18 3.67 5 0.0146 0.53 1 10.4 0.23 0 0.4938 3.43 19 3.71 5 0.0129 0.54 3 11.2 0.26 0 0.5631 3.48 20 3.72 4 0.0129 0.53 3 9.8 0.23 0 0.5512 4.72 Ave 3.45 4 0.0131 0.52 2 9.1 0.23 0 0.4707 3.35 +/- 0.18 1 0.0006 0.04 1 0.9 0.03 0 0.0604 0.60 Min 3.10 3 0.0121 0.39 0 7.9 0.17 0 0.2911 2.60 Max 3.72 9 0.0146 0.55 5 11.2 0.28 0 0.5631 4.89 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QQD LEU 89 - HG2 PRO 112 3.87 17 0.24 0.39 +++*+ ++++++ ++++++ peak 4472 Upper H GLU 114 - HG2 GLU 114 4.06 18 0.48 0.55 +++++ ++++*+ +++++++ peak 1276 Upper HA ALA 116 - HB VAL 119 4.15 19 0.32 0.39 +++++*++++++++++++ + peak 4272 VdW CG HIS 51 - C HIS 51 2.90 6 0.16 0.24 ++ +* + + VdW H LEU 118 - CG LEU 118 2.55 16 0.21 0.26 ++++ +++++++++ +*+ 3 violated distance constraints. 2 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.13 A (0.17..0.75 A; 20 structures) Average heavy atom RMSD to mean : 0.81 +/- 0.09 A (0.59..1.01 A; 20 structures)