Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 5.57 0 0.0152 0.29 16 15.6 0.38 4 1.3971 7.29 2 8.49 2 0.0244 0.84 16 18.3 0.41 8 1.9637 10.77 3 8.63 5 0.0256 0.55 17 20.9 0.38 7 1.7359 8.30 4 8.94 8 0.0313 0.85 11 18.4 0.38 6 1.5904 7.45 5 9.01 6 0.0311 1.07 8 14.7 0.51 8 2.3163 20.87 6 9.14 7 0.0308 1.00 14 18.4 0.33 7 1.8272 8.52 7 9.63 6 0.0319 1.12 15 19.2 0.32 7 1.8128 15.25 8 9.86 13 0.0331 0.92 13 18.9 0.32 8 1.7938 8.25 9 10.23 6 0.0295 0.84 18 21.7 0.39 8 2.0733 12.54 10 10.37 7 0.0316 0.76 17 20.8 0.42 11 1.9745 9.80 11 10.57 13 0.0369 1.13 14 18.7 0.37 6 1.6527 8.26 12 10.66 8 0.0344 0.92 9 21.6 0.33 10 2.1515 9.00 13 11.03 9 0.0297 0.52 19 23.1 0.51 8 2.2029 17.24 14 11.09 8 0.0360 1.04 10 20.7 0.39 10 1.9667 7.22 15 11.35 8 0.0344 1.17 15 18.7 0.53 8 2.4240 20.76 16 12.15 6 0.0338 0.91 15 19.4 0.54 12 2.9258 21.90 17 12.31 11 0.0385 1.05 13 21.4 0.33 10 2.1730 9.81 18 12.33 10 0.0371 1.07 24 23.2 0.46 5 1.5638 7.71 19 12.50 9 0.0336 0.75 17 22.0 0.54 9 2.5374 21.34 20 12.53 11 0.0349 0.78 21 20.3 0.51 10 2.6582 20.38 Ave 10.32 8 0.0317 0.88 15 19.8 0.42 8 2.0371 12.63 +/- 1.70 3 0.0051 0.22 4 2.2 0.08 2 0.3843 5.47 Min 5.57 0 0.0152 0.29 8 14.7 0.32 4 1.3971 7.22 Max 12.53 13 0.0385 1.17 24 23.2 0.54 12 2.9258 21.90 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA ILE 42 - HB VAL 75 4.39 8 0.34 0.92 + + ++ * ++ + peak 2836 Upper HB3 LEU 47 - HB VAL 71 5.30 7 0.16 0.47 +++ * + ++ peak 1522 Upper QD PHE 50 - HB VAL 71 3.78 7 0.23 0.64 + ++ * + ++ peak 175 Upper HA ASN 86 - HB2 LEU 87 5.50 6 0.29 0.45 * ++ + + + peak 2308 VdW HA ASP 28 - CD PRO 29 2.60 20 0.30 0.31 ++++++++++++*+++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++*+++++++++++++ VdW CG2 ILE 42 - C ILE 42 2.90 20 0.32 0.33 ++++++++++++++++*+++ VdW N TYR 60 - HD2 PRO 61 2.45 11 0.16 0.42 + ++ + +++ +++ * VdW CB TYR 60 - CD PRO 61 3.20 12 0.19 0.39 +*++ + +++ + + + + VdW C TYR 60 - H CYS 62 2.45 7 0.15 0.38 + * ++ + ++ VdW O ASP 106 - CB ASN 107 2.90 6 0.17 0.32 + * + ++ + VdW CG2 ILE 119 - C ILE 119 2.90 19 0.26 0.32 ++++ +++*+++++++++++ VdW O ASN 120 - C LYS 121 2.80 11 0.19 0.41 +*++ + ++++ + + VdW CG TRP 135 - C TRP 135 2.90 12 0.21 0.25 + +++++* ++ +++ VdW CG2 ILE 144 - C ILE 144 2.90 20 0.28 0.33 +++++*++++++++++++++ Angle PHI VAL 34 -81.00 -61.00 7 4.53 11.28 ++ + + *+ + Angle PSI THR 39 120.00 150.00 9 5.10 8.66 + ++ +*+ ++ + Angle PHI VAL 43 -130.00 -110.00 7 3.56 7.49 + ++ + ++ * Angle PSI MET 117 113.00 151.00 17 6.14 8.52 +++++*+++++++++ ++ Angle PHI TRP 118 -103.00 -65.00 13 5.58 8.30 + *+++++++ ++ + + Angle PSI TRP 118 113.00 153.00 9 5.20 11.03 + + * ++ + ++ + Angle PHI ILE 119 -78.00 -50.00 12 5.77 9.86 + ++ ++ ++ + *+ ++ Angle PSI ASN 120 -9.00 11.00 9 4.56 12.54 + ++ +*+ + + + 4 violated distance constraints. 8 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 4.33 +/- 1.52 A (2.65..8.17 A; 20 structures) Average heavy atom RMSD to mean : 4.57 +/- 1.40 A (3.13..8.23 A; 20 structures)