Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.85 6 0.0104 0.25 5 7.3 0.30 1 0.6908 5.07 2 1.98 3 0.0130 0.45 4 7.5 0.30 0 0.7742 4.14 3 2.09 10 0.0119 0.25 3 9.0 0.30 0 0.8048 4.15 4 2.10 8 0.0114 0.22 5 7.0 0.33 1 0.7474 5.13 5 2.33 12 0.0125 0.25 5 8.8 0.28 0 0.8086 4.94 6 2.53 8 0.0128 0.40 6 9.1 0.30 0 0.8539 3.86 7 2.95 10 0.0193 0.64 6 8.7 0.30 0 0.9234 4.83 8 2.98 11 0.0137 0.26 8 10.4 0.30 1 1.0387 5.36 9 3.10 24 0.0209 0.58 5 8.7 0.30 0 1.0771 4.63 10 3.11 10 0.0120 0.25 8 10.8 0.33 2 1.0260 5.70 11 3.23 13 0.0166 0.40 7 10.6 0.31 3 1.0612 6.55 12 3.30 17 0.0151 0.30 8 10.7 0.30 2 1.1340 5.63 13 3.45 13 0.0155 0.48 5 11.9 0.33 1 1.4007 8.42 14 3.50 12 0.0138 0.26 7 13.7 0.27 0 0.9940 3.46 15 3.55 17 0.0215 0.58 5 9.8 0.31 3 1.1333 5.37 16 3.59 16 0.0205 0.73 7 10.9 0.38 1 1.0779 6.74 17 3.63 18 0.0236 0.79 4 9.3 0.28 0 1.0206 4.82 18 3.87 15 0.0193 0.36 9 12.1 0.30 1 0.9647 5.28 19 4.05 18 0.0214 0.56 7 11.6 0.27 0 1.1804 4.78 20 4.18 18 0.0167 0.40 8 14.0 0.32 1 1.1197 5.69 Ave 3.07 13 0.0161 0.42 6 10.1 0.31 1 0.9916 5.23 +/- 0.69 5 0.0040 0.17 2 1.9 0.02 1 0.1694 1.08 Min 1.85 3 0.0104 0.22 3 7.0 0.27 0 0.6908 3.46 Max 4.18 24 0.0236 0.79 9 14.0 0.38 3 1.4007 8.42 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB ILE 32 - H LEU 36 5.50 14 0.11 0.18 + +*++++++ ++ + ++ peak 175 Upper H MET 35 - HG LEU 36 5.50 6 0.08 0.24 + + ++ + * peak 1020 Upper HD2 PRO 40 - QD1 ILE 42 5.50 7 0.09 0.21 ++ *++ + + peak 249 Upper HG LEU 47 - H PHE 50 4.84 9 0.09 0.28 + + +++ + ++ * peak 1734 Upper QD1 LEU 47 - QG1 VAL 71 3.83 6 0.05 0.12 * + + + ++ peak 1767 Upper QG1 VAL 79 - H LEU 84 4.45 7 0.08 0.24 + + + +++ * peak 197 Upper QD TYR 95 - HB3 TYR 116 3.41 9 0.09 0.23 + +++ + ++ + * peak 72 VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +*++++++++++++++++++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 20 0.24 0.28 ++++++++++++++*+++++ VdW CG1 VAL 71 - C VAL 71 2.90 9 0.17 0.27 + + +++ * ++ + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 +++++++++++++++++++* VdW CG2 ILE 119 - C ILE 119 2.90 6 0.17 0.32 + ++ ++ * 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.08 +/- 2.31 A (3.38..12.25 A) Average heavy atom RMSD to mean : 6.57 +/- 2.35 A (3.83..12.80 A)