Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.20 10 0.0096 0.24 8 10.8 0.30 2 1.4331 14.38 2 3.23 12 0.0155 0.71 9 9.3 0.33 0 0.7261 4.95 3 3.28 15 0.0168 0.44 7 8.7 0.32 1 0.9902 5.66 4 3.38 10 0.0104 0.23 9 9.6 0.33 1 1.3972 15.52 5 3.47 16 0.0146 0.36 8 10.7 0.30 1 1.0176 6.40 6 3.55 8 0.0095 0.29 12 10.4 0.31 1 1.2845 14.92 7 3.73 14 0.0147 0.38 7 10.9 0.31 1 1.2742 13.98 8 3.75 7 0.0082 0.15 15 11.2 0.30 4 1.6020 16.15 9 3.76 20 0.0189 0.55 6 9.2 0.31 3 1.2712 9.87 10 3.77 14 0.0132 0.29 9 11.7 0.30 2 1.3669 14.47 11 3.84 19 0.0179 0.51 6 10.9 0.30 4 1.2500 5.89 12 3.98 9 0.0097 0.23 11 10.4 0.37 2 1.5150 16.91 13 4.05 19 0.0168 0.36 6 11.3 0.37 6 1.4612 10.85 14 4.06 15 0.0146 0.38 10 12.4 0.33 5 1.3178 7.29 15 4.16 18 0.0216 0.57 6 9.3 0.28 3 1.2739 9.46 16 4.17 13 0.0211 0.82 7 10.7 0.31 0 0.7060 3.83 17 4.36 18 0.0151 0.39 11 13.8 0.30 2 1.3063 6.46 18 4.54 27 0.0209 0.59 9 10.6 0.29 3 1.4190 11.72 19 4.72 20 0.0237 0.89 7 10.7 0.33 3 1.2615 7.22 20 4.74 29 0.0204 0.63 7 11.7 0.32 6 1.4108 10.35 Ave 3.89 16 0.0157 0.45 9 10.7 0.32 3 1.2642 10.31 +/- 0.46 6 0.0045 0.20 2 1.2 0.02 2 0.2303 4.11 Min 3.20 7 0.0082 0.15 6 8.7 0.28 0 0.7060 3.83 Max 4.74 29 0.0237 0.89 15 13.8 0.37 6 1.6020 16.91 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA GLU 41 - QG2 ILE 42 5.30 17 0.12 0.15 ++++ +++*+++ ++++++ peak 3273 Upper H ILE 42 - QG2 ILE 42 3.55 15 0.12 0.17 ++++ ++++ ++ *++ ++ peak 55 Upper H ILE 42 - QG2 VAL 43 4.95 6 0.06 0.21 + ++ + +* peak 2960 Upper H THR 46 - HB VAL 103 4.55 10 0.12 0.27 ++ + + ++ ++*+ peak 3511 Upper HB3 PHE 50 - HB ILE 63 5.50 9 0.10 0.25 + +++ + + + * + peak 2240 Upper HB VAL 103 - H ARG 104 3.98 7 0.07 0.22 ++ + + + *+ peak 14 Upper HB3 LYS 121 - H ASP 123 5.50 6 0.07 0.39 + + + + *+ peak 747 VdW HA ASP 28 - CD PRO 29 2.60 20 0.26 0.31 ++*+++++++++++++++++ VdW HA THR 39 - CD PRO 40 2.60 19 0.28 0.30 ++++*+++++++++++++ + VdW O ASP 106 - CB ASN 107 2.90 12 0.18 0.31 + ++++*+ + + + + + VdW H ASN 107 - H SER 108 1.90 6 0.10 0.25 + + ++ + * VdW CG2 ILE 119 - C ILE 119 2.90 11 0.20 0.29 ++ ++ + +*+ +++ VdW O ASN 120 - C LYS 121 2.80 10 0.18 0.30 ++ + ++++ ++ * VdW CG2 ILE 144 - C ILE 144 2.90 11 0.25 0.33 ++ ++++ + ++ *+ VdW CG PHE 147 - C PHE 147 2.90 7 0.12 0.24 ++ ++ + *+ Angle PSI LEU 47 94.00 144.00 6 4.64 7.07 + + +++* Angle PSI ASP 106 -48.00 -12.00 12 7.17 16.91 + ++++++ + * + + + 7 violated distance constraints. 2 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 1.13 +/- 0.19 A (0.68..1.62 A; 20 structures) Average heavy atom RMSD to mean : 1.70 +/- 0.16 A (1.47..2.13 A; 20 structures)