Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.98 0 0.0022 0.09 3 4.2 0.30 0 0.3068 3.35 2 1.04 4 0.0058 0.19 2 4.5 0.30 0 0.4136 3.32 3 1.16 6 0.0058 0.16 4 4.5 0.29 0 0.3257 2.98 4 1.19 2 0.0040 0.18 3 4.9 0.30 0 0.6349 4.92 5 1.48 8 0.0066 0.19 5 5.5 0.30 0 0.5476 3.74 6 1.51 6 0.0056 0.16 5 5.5 0.33 0 0.4679 3.09 7 1.51 10 0.0076 0.20 3 5.9 0.30 0 0.5819 4.14 8 1.52 9 0.0075 0.20 4 5.7 0.30 0 0.6469 4.42 9 1.53 5 0.0063 0.24 5 5.5 0.33 0 0.4271 2.81 10 1.55 5 0.0055 0.19 5 6.9 0.26 1 0.7687 5.54 11 1.62 7 0.0069 0.27 4 6.2 0.30 1 0.7485 5.13 12 1.64 7 0.0075 0.32 4 5.0 0.32 1 0.7693 5.96 13 1.65 3 0.0054 0.18 3 7.1 0.30 1 0.8148 6.67 14 1.67 5 0.0055 0.17 5 6.1 0.33 1 0.8010 6.02 15 1.73 10 0.0073 0.20 4 6.5 0.33 0 0.5999 3.66 16 1.74 6 0.0063 0.22 4 6.7 0.30 0 0.7960 4.96 17 1.75 9 0.0092 0.38 4 6.5 0.30 0 0.6394 3.29 18 1.89 6 0.0078 0.43 6 6.1 0.30 0 0.7753 4.96 19 1.94 2 0.0039 0.18 5 6.0 0.30 1 1.1149 14.01 20 1.95 5 0.0084 0.42 5 6.9 0.30 1 0.8274 5.04 Ave 1.55 6 0.0063 0.23 4 5.8 0.31 0 0.6504 4.90 +/- 0.27 3 0.0016 0.09 1 0.8 0.02 0 0.1939 2.36 Min 0.98 0 0.0022 0.09 2 4.2 0.26 0 0.3068 2.81 Max 1.95 10 0.0092 0.43 6 7.1 0.33 1 1.1149 14.01 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG LEU 36 - H ASP 37 5.50 6 0.04 0.13 + + *++ + peak 1432 Upper HA ILE 102 - HB VAL 103 5.50 16 0.14 0.21 +++++ *++++ ++++++ peak 3051 Upper QG2 ILE 144 - QB PHE 147 3.31 12 0.07 0.15 +++++++* ++++ peak 2096 Upper QG1 ILE 144 - QE PHE 147 3.92 8 0.09 0.25 + ++ ++ ++ * peak 217 Upper QG1 ILE 144 - H LYS 148 5.50 7 0.05 0.19 * ++ ++ + + peak 292 VdW HA ASP 28 - CD PRO 29 2.60 15 0.25 0.29 + ++++ +++++ *++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++++++++*+++ VdW CG2 ILE 119 - C ILE 119 2.90 11 0.18 0.27 +++ * ++ + ++ ++ VdW CG PHE 147 - C PHE 147 2.90 8 0.09 0.23 + ++ ++ +* + 5 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 1.04 +/- 0.17 A (0.77..1.54 A; 20 structures) Average heavy atom RMSD to mean : 1.63 +/- 0.18 A (1.33..2.08 A; 20 structures)