Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.32 2 0.0033 0.12 3 5.2 0.30 3 1.0345 6.67 2 1.33 2 0.0037 0.12 3 5.0 0.30 3 0.9897 6.68 3 1.35 3 0.0040 0.15 2 5.1 0.31 3 1.0124 6.68 4 1.47 3 0.0047 0.17 2 5.6 0.31 3 1.0265 6.67 5 1.81 1 0.0038 0.12 4 6.6 0.29 3 1.0522 6.67 6 2.15 4 0.0083 0.37 6 6.2 0.27 3 1.3308 10.92 7 2.17 4 0.0056 0.17 5 7.6 0.29 5 1.3474 9.88 8 2.22 7 0.0123 0.64 5 6.5 0.31 3 1.0727 6.61 9 2.26 5 0.0098 0.41 6 6.3 0.27 3 1.2948 10.94 10 2.35 5 0.0131 0.65 3 6.1 0.30 3 1.0517 7.03 11 2.36 5 0.0060 0.18 5 7.3 0.38 4 1.4324 10.70 12 2.44 6 0.0069 0.22 4 6.1 0.43 3 1.4523 15.05 13 2.53 8 0.0078 0.20 5 8.6 0.31 4 1.2929 7.53 14 2.61 6 0.0122 0.49 6 6.6 0.27 3 1.2526 10.75 15 2.71 6 0.0098 0.54 5 7.7 0.37 3 1.2266 10.59 16 2.72 6 0.0083 0.36 8 7.1 0.29 6 1.6726 11.06 17 2.73 9 0.0091 0.27 8 7.5 0.30 3 1.3257 10.95 18 2.76 7 0.0079 0.33 5 8.9 0.33 4 1.2442 7.39 19 2.77 11 0.0115 0.55 5 8.8 0.30 3 1.1687 6.53 20 2.81 14 0.0114 0.34 5 7.9 0.34 5 1.3560 7.72 Ave 2.24 6 0.0080 0.32 5 6.8 0.31 4 1.2318 8.85 +/- 0.51 3 0.0031 0.17 2 1.2 0.04 1 0.1762 2.35 Min 1.32 1 0.0033 0.12 2 5.0 0.27 3 0.9897 6.53 Max 2.81 14 0.0131 0.65 8 8.9 0.43 6 1.6726 15.05 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG12 ILE 42 - HA VAL 43 4.34 20 0.12 0.15 ++*+++++++++++++++++ peak 276 Upper HA GLU 133 - HH2 TRP 135 5.28 6 0.10 0.39 + + + * ++ peak 373 Upper QB GLU 133 - HZ2 TRP 135 5.07 7 0.06 0.13 +++ * +++ peak 566 VdW HA THR 39 - CD PRO 40 2.60 17 0.24 0.30 ++ +++++++ ++++*+++ VdW C PHE 132 - H GLU 134 2.45 6 0.15 0.28 + + * + ++ VdW O PHE 132 - CD1 TRP 135 2.90 6 0.08 0.43 + + * + ++ VdW O PHE 132 - HE3 TRP 135 2.30 8 0.11 0.21 +++* + + ++ VdW CD1 TRP 135 - C TRP 135 3.10 11 0.18 0.31 +++++ + + * +++ Angle PSI GLU 133 -49.00 -29.00 20 8.36 15.05 +++++++++++*++++++++ Angle PHI GLU 134 -77.00 -57.00 20 7.56 10.08 +++++++++++*++++++++ Angle PSI GLU 134 -50.00 -30.00 12 4.56 6.15 ++++* ++ + + +++ Angle PSI TRP 135 -52.00 -32.00 9 5.61 10.70 ++ + *+ ++++ 3 violated distance constraints. 4 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.80 +/- 2.32 A (3.60..12.29 A) Average heavy atom RMSD to mean : 7.02 +/- 2.24 A (3.98..12.55 A)