Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.31 1 0.0103 0.25 5 8.2 0.30 0 0.7089 3.65 2 2.48 2 0.0114 0.24 3 8.7 0.29 0 0.8302 3.20 3 2.67 4 0.0125 0.36 4 8.9 0.29 0 0.8322 3.59 4 2.77 3 0.0130 0.40 4 9.3 0.30 0 0.7390 4.08 5 2.78 3 0.0118 0.26 5 9.5 0.30 0 0.9233 3.78 6 2.79 2 0.0123 0.29 5 9.5 0.28 1 0.9577 5.02 7 2.88 1 0.0112 0.31 6 9.8 0.30 1 0.9033 5.50 8 3.03 2 0.0122 0.35 5 10.1 0.29 0 0.9800 4.18 9 3.09 3 0.0137 0.46 3 9.9 0.30 0 0.8937 4.06 10 3.10 6 0.0127 0.33 5 10.1 0.29 1 0.9724 5.30 11 3.13 6 0.0137 0.36 4 9.8 0.30 0 0.8542 4.01 12 3.14 4 0.0132 0.36 4 9.4 0.30 1 0.9890 6.09 13 3.14 6 0.0140 0.37 3 9.8 0.30 2 1.0393 7.23 14 3.18 3 0.0133 0.53 7 9.7 0.30 0 0.7813 4.23 15 3.31 7 0.0141 0.56 7 9.5 0.30 2 1.0200 5.86 16 3.40 5 0.0139 0.42 6 9.5 0.30 0 0.8582 4.06 17 3.41 2 0.0128 0.34 6 11.0 0.29 0 0.9060 4.87 18 3.42 4 0.0139 0.35 6 10.2 0.30 1 1.0571 5.78 19 3.46 5 0.0146 0.34 4 10.6 0.29 0 0.9279 4.11 20 3.49 8 0.0168 0.54 2 9.1 0.30 0 0.9525 4.91 Ave 3.05 4 0.0131 0.37 5 9.6 0.30 0 0.9063 4.68 +/- 0.33 2 0.0014 0.09 1 0.6 0.01 1 0.0934 1.00 Min 2.31 1 0.0103 0.24 2 8.2 0.28 0 0.7089 3.20 Max 3.49 8 0.0168 0.56 7 11.0 0.30 2 1.0571 7.23 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 21 - QQG VAL 71 3.47 8 0.20 0.30 + + + ++ +*+ peak 3330 Upper QG1 VAL 98 - HG2 MET 117 4.30 7 0.11 0.36 + ++ +* + + peak 915 Upper H THR 99 - HB THR 99 3.30 7 0.08 0.25 + + + + ++ * peak 2201 Upper H VAL 168 - H LEU 169 4.09 7 0.10 0.25 * ++ + ++ + peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 20 0.25 0.28 +++*++++++++++++++++ VdW CG2 ILE 32 - C ILE 32 2.90 7 0.19 0.26 + + +* + + + VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++++++*+++++ VdW CG1 VAL 75 - C VAL 75 2.90 13 0.19 0.27 +++*+++ + ++ +++ VdW HA ASP 123 - CD PRO 124 2.60 11 0.21 0.29 + + ++ +* + ++++ 4 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.49 +/- 0.09 A (0.30..0.69 A; 20 structures) Average heavy atom RMSD to mean : 0.97 +/- 0.08 A (0.83..1.16 A; 20 structures)