Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.25 7 0.0125 0.41 2 8.7 0.20 0 0.5897 4.12 2 3.26 4 0.0120 0.30 0 8.2 0.20 0 0.5495 2.77 3 3.32 4 0.0108 0.28 1 8.7 0.20 0 0.5796 3.85 4 3.33 8 0.0137 0.41 3 9.6 0.22 0 0.6723 4.46 5 3.34 7 0.0122 0.38 1 9.4 0.22 0 0.6214 4.46 6 3.45 5 0.0110 0.25 3 9.3 0.25 0 0.5634 3.51 7 3.52 7 0.0130 0.39 1 9.4 0.21 0 0.5480 3.08 8 3.61 6 0.0124 0.39 1 8.5 0.22 0 0.5481 3.96 9 3.64 9 0.0127 0.25 1 9.3 0.20 0 0.6306 3.49 10 3.65 9 0.0144 0.39 1 9.5 0.20 0 0.4946 3.11 11 3.66 5 0.0119 0.27 3 10.0 0.25 0 0.5620 3.58 12 3.66 6 0.0124 0.40 1 8.9 0.20 1 0.6360 5.11 13 3.69 6 0.0136 0.41 1 10.2 0.23 0 0.5750 3.74 14 3.73 7 0.0133 0.30 1 9.3 0.21 0 0.4927 3.16 15 3.77 7 0.0144 0.67 2 10.0 0.25 0 0.6351 4.68 16 3.83 5 0.0118 0.40 3 9.3 0.28 0 0.5320 3.82 17 3.86 6 0.0133 0.40 2 10.8 0.24 0 0.6847 4.78 18 3.92 5 0.0124 0.41 2 9.2 0.28 1 0.6361 5.10 19 4.03 8 0.0133 0.30 1 10.4 0.21 0 0.5535 3.17 20 4.05 9 0.0127 0.40 2 9.5 0.21 0 0.6652 4.80 Ave 3.63 7 0.0127 0.37 2 9.4 0.22 0 0.5885 3.94 +/- 0.24 2 0.0010 0.09 1 0.6 0.03 0 0.0550 0.70 Min 3.25 4 0.0108 0.25 0 8.2 0.20 0 0.4927 2.77 Max 4.05 9 0.0144 0.67 3 10.8 0.28 1 0.6847 5.11 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 47 - H ARG 70 5.20 14 0.22 0.29 + ++ +++*++ ++ + ++ peak 97 Upper QE TYR 52 - QB ALA 395 4.70 20 0.25 0.30 +++++++++++++*++++++ peak 234 Upper H GLN 59 - HG LEU 62 5.50 10 0.18 0.29 + ++ ++ + ++* + peak 839 Upper H LEU 62 - HG LEU 62 3.53 19 0.31 0.41 ++++++++++++++ ++*++ peak 884 Upper H LEU 96 - HA GLN 101 5.44 16 0.21 0.24 + +++++ ++++++++ +* peak 462 Upper H LEU 122 - HG LEU 122 3.22 7 0.11 0.25 + +* ++ + + peak 1324 Upper HA LEU 122 - QD1 LEU 122 3.23 11 0.16 0.41 +++ + +*++++ + peak 565 VdW CA LEU 122 - CD2 LEU 122 3.00 16 0.20 0.22 + +++++*++++ + + +++ 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.56 +/- 0.26 A (0.17..1.01 A; 20 structures) Average heavy atom RMSD to mean : 0.98 +/- 0.19 A (0.75..1.30 A; 20 structures)