Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 6.61 3 0.0208 0.42 10 15.3 0.48 7 2.0552 17.98 2 8.65 5 0.0238 0.42 18 20.8 0.40 6 1.6514 7.45 3 9.10 7 0.0267 0.52 16 20.5 0.41 5 1.7167 10.27 4 9.11 7 0.0300 1.07 12 18.2 0.41 7 1.9835 15.26 5 9.41 7 0.0309 0.90 14 18.2 0.34 9 2.2263 15.17 6 9.68 6 0.0301 0.89 16 20.2 0.36 5 1.8666 14.90 7 10.12 10 0.0313 0.60 16 19.1 0.32 9 2.3381 11.96 8 10.18 8 0.0286 0.48 20 21.5 0.33 9 2.1855 10.75 9 10.61 9 0.0291 0.56 28 23.3 0.39 7 1.7996 10.40 10 10.62 8 0.0289 0.66 22 23.1 0.40 7 1.9304 12.02 11 10.67 12 0.0316 0.53 17 21.9 0.37 8 2.1866 15.33 12 10.87 9 0.0329 0.90 17 20.1 0.48 5 2.1448 18.63 13 10.96 5 0.0296 0.99 20 22.1 0.38 12 2.3286 15.04 14 10.96 10 0.0312 0.88 20 21.4 0.35 9 2.3251 15.63 15 11.03 10 0.0325 0.86 18 22.5 0.34 9 2.1268 14.86 16 11.40 6 0.0347 1.09 22 21.1 0.37 8 1.9664 14.24 17 11.44 8 0.0314 1.05 15 22.5 0.47 10 2.3939 14.13 18 11.51 6 0.0326 1.03 20 23.0 0.36 8 2.1682 15.10 19 11.60 8 0.0326 0.94 17 22.1 0.49 8 2.2625 17.63 20 11.62 9 0.0329 0.86 21 22.3 0.42 8 1.8957 8.84 Ave 10.31 8 0.0301 0.78 18 21.0 0.39 8 2.0776 13.78 +/- 1.22 2 0.0032 0.23 4 2.0 0.05 2 0.2118 2.96 Min 6.61 3 0.0208 0.42 10 15.3 0.32 5 1.6514 7.45 Max 11.62 12 0.0347 1.09 28 23.3 0.49 12 2.3939 18.63 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H MET 35 - HG LEU 36 5.27 7 0.23 0.75 ++ + + * ++ peak 1020 Upper HA ILE 42 - HB VAL 75 4.37 8 0.39 1.07 * ++++ +++ peak 2836 Upper HA ASN 86 - HB2 LEU 87 5.50 19 0.40 0.52 ++*+++ +++++++++++++ peak 2308 VdW HA ASP 28 - CD PRO 29 2.60 20 0.29 0.31 ++++++++++++++++*+++ VdW O ASN 33 - CA ASP 37 2.90 10 0.19 0.25 + + + +++ + ++* VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++*+++++++++ VdW HA ILE 42 - O VAL 75 2.30 6 0.11 0.41 * ++++ + VdW CG2 ILE 42 - C ILE 42 2.90 20 0.31 0.33 +++++++++++++++*++++ VdW CB TYR 60 - CD PRO 61 3.20 6 0.14 0.40 + + ++ * + VdW CG2 ILE 63 - C ILE 63 2.90 9 0.19 0.33 + ++ + +*+ + + VdW CG ARG 97 - C ARG 97 2.90 7 0.15 0.23 ++ + + + + * VdW O ASP 106 - CB ASN 107 2.90 18 0.31 0.42 ++++++ +++++++++++* VdW O ASP 106 - HB3 ASN 107 2.30 18 0.26 0.49 ++++++ ++++++++++*+ VdW CG2 ILE 119 - C ILE 119 2.90 12 0.23 0.33 + + ++ +*++ ++ ++ VdW O ASN 120 - C LYS 121 2.80 12 0.20 0.33 + ++ ++ ++ ++ +*+ VdW CG2 ILE 144 - C ILE 144 2.90 19 0.31 0.33 ++++*++++ ++++++++++ VdW CG PHE 147 - C PHE 147 2.90 14 0.17 0.25 + + +++*+++ ++ +++ Angle PHI VAL 34 -81.00 -61.00 20 7.55 10.35 +++++++++++*++++++++ Angle PHI MET 35 -78.00 -58.00 6 2.54 7.21 * + + +++ Angle PSI MET 35 -35.00 -15.00 9 4.52 11.15 ++++ + + + + * Angle PSI LEU 47 94.00 144.00 19 8.01 12.02 +++++++++*+++++++ ++ Angle PSI CYS 62 148.00 170.00 12 5.25 11.25 + ++ + + +*+ ++++ Angle PHI ILE 63 -151.00 -129.00 12 6.30 11.68 + ++ + + +*+ ++++ Angle PSI ASP 106 -48.00 -12.00 13 10.19 18.63 + +++ +*+++++++ Angle PSI ASN 120 -9.00 11.00 8 3.51 6.90 + ++* + +++ 3 violated distance constraints. 8 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 0.99 +/- 0.21 A (0.68..1.43 A; 20 structures) Average heavy atom RMSD to mean : 1.59 +/- 0.18 A (1.30..2.00 A; 20 structures)