Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.25 2 0.0053 0.16 5 5.3 0.30 0 0.3265 1.84 2 1.85 4 0.0141 0.65 4 5.7 0.30 1 0.6877 5.62 3 2.37 13 0.0156 0.52 4 7.3 0.29 1 0.9091 8.78 4 2.45 8 0.0145 0.61 7 7.7 0.30 0 0.6375 3.36 5 2.46 12 0.0151 0.51 5 8.0 0.30 1 0.9371 8.33 6 2.47 8 0.0095 0.20 8 8.9 0.30 0 0.7969 3.96 7 2.57 9 0.0161 0.58 6 8.0 0.30 0 0.3877 2.51 8 2.62 18 0.0166 0.41 4 8.5 0.30 1 0.9344 5.52 9 2.81 11 0.0171 0.47 5 8.4 0.29 1 0.9751 9.54 10 2.88 7 0.0111 0.29 10 9.6 0.32 0 0.6526 4.05 11 3.19 14 0.0182 0.62 9 9.9 0.30 1 0.7919 6.89 12 3.27 12 0.0118 0.37 10 10.4 0.42 1 0.7127 5.87 13 3.52 6 0.0226 0.94 6 8.1 0.30 0 0.7840 4.13 14 3.72 12 0.0214 0.64 8 9.7 0.30 0 0.7768 4.59 15 3.79 9 0.0155 0.56 9 11.0 0.41 4 1.1737 6.95 16 4.12 18 0.0205 0.62 8 10.5 0.37 1 1.0965 8.16 17 4.29 17 0.0196 0.57 10 10.6 0.47 2 1.0635 5.70 18 4.29 17 0.0233 0.71 8 11.1 0.30 2 0.9524 6.60 19 4.29 13 0.0200 0.75 11 12.6 0.30 1 1.1294 6.30 20 4.30 8 0.0213 0.92 11 10.6 0.31 1 0.8865 9.63 Ave 3.13 11 0.0165 0.56 7 9.1 0.33 1 0.8306 5.92 +/- 0.87 4 0.0045 0.20 2 1.8 0.05 1 0.2191 2.19 Min 1.25 2 0.0053 0.16 4 5.3 0.29 0 0.3265 1.84 Max 4.30 18 0.0233 0.94 11 12.6 0.47 4 1.1737 9.63 Cut 0.10 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 5.26 8 0.14 0.56 +++ + +*+ + peak 1020 Upper HG LEU 47 - H PHE 50 4.17 7 0.23 0.75 + + + +++* peak 1734 Upper QD1 LEU 47 - QG2 ILE 63 3.58 6 0.07 0.41 + * ++++ peak 1315 Upper H PHE 50 - H GLY 69 5.50 6 0.06 0.22 + + + + *+ peak 642 Upper HB3 LEU 87 - QD1 LEU 87 3.03 6 0.04 0.15 + * + + ++ peak 2175 VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 *+++++++++++++++++++ VdW CB TYR 60 - CD PRO 61 3.20 7 0.12 0.37 + + + + * + + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.26 0.28 ++++++++++++++++*+++ VdW O ASN 120 - C LYS 121 2.80 7 0.13 0.47 ++++ + + * VdW CG PHE 147 - C PHE 147 2.90 17 0.22 0.24 + ++ +++++*+ +++++++ 5 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.67 +/- 1.31 A (4.51..9.95 A; 20 structures) Average heavy atom RMSD to mean : 6.88 +/- 1.22 A (4.84..9.90 A; 20 structures)