Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.73 6 0.0122 0.33 0 9.1 0.19 0 0.4765 2.69 2 4.14 8 0.0131 0.34 3 10.3 0.21 0 0.4533 2.91 3 4.23 2 0.0112 0.23 4 10.2 0.28 0 0.3990 2.81 4 4.35 3 0.0124 0.39 1 11.0 0.24 0 0.4905 3.60 5 4.57 4 0.0129 0.34 2 11.3 0.26 0 0.4678 2.82 6 4.58 5 0.0115 0.35 3 10.4 0.29 0 0.6057 4.79 7 4.62 6 0.0121 0.34 1 10.1 0.24 0 0.4994 3.09 8 4.64 8 0.0140 0.43 0 9.7 0.20 0 0.6108 4.15 9 4.69 4 0.0132 0.44 4 11.1 0.29 0 0.3932 2.97 10 4.70 7 0.0126 0.26 3 11.6 0.25 0 0.4815 2.97 11 4.70 3 0.0129 0.38 3 11.1 0.28 0 0.5596 3.91 12 4.82 4 0.0144 0.52 1 10.6 0.22 1 0.6961 5.81 13 4.87 6 0.0132 0.36 1 10.6 0.20 1 0.7599 8.11 14 4.93 7 0.0148 0.40 1 10.5 0.25 0 0.5917 3.52 15 4.95 5 0.0132 0.36 2 11.0 0.24 0 0.4792 2.66 16 5.04 4 0.0124 0.33 2 10.9 0.26 0 0.5024 3.17 17 5.04 7 0.0133 0.44 5 12.6 0.29 0 0.5234 3.06 18 5.07 6 0.0139 0.40 2 11.4 0.30 0 0.6144 4.91 19 5.08 8 0.0142 0.48 3 11.3 0.24 0 0.5319 3.69 20 5.09 7 0.0133 0.33 3 11.4 0.29 0 0.5503 3.87 Ave 4.69 6 0.0130 0.37 2 10.8 0.25 0 0.5343 3.78 +/- 0.35 2 0.0009 0.07 1 0.7 0.03 0 0.0898 1.29 Min 3.73 2 0.0112 0.23 0 9.1 0.19 0 0.3932 2.66 Max 5.09 8 0.0148 0.52 5 12.6 0.30 1 0.7599 8.11 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 - HG LEU 65 4.18 6 0.19 0.24 + + + ++* peak 305 Upper QD1 LEU 73 - H LEU 86 5.50 12 0.20 0.26 ++ + *+ + ++ ++++ peak 1100 Upper HA MET 83 - QD2 LEU 86 4.63 7 0.16 0.27 + ++ + + * + peak 2975 Upper HA MET 83 - QQD LEU 373 4.28 11 0.20 0.39 + *++ + + + + +++ peak 2973 Upper HA LEU 84 - QD1 LEU 87 4.63 19 0.33 0.44 ++ +++++++++++++*+++ peak 3123 Upper HA GLU 85 - QG1 VAL 88 4.27 13 0.18 0.25 ++ +++++ +*+ +++ peak 3032 VdW CG HIS 51 - C HIS 51 2.90 10 0.18 0.25 ++++ + *+ + ++ VdW CG1 VAL 104 - C VAL 104 2.90 7 0.17 0.24 ++ + + *++ 6 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.37 +/- 0.16 A (0.23..0.95 A; 20 structures) Average heavy atom RMSD to mean : 0.81 +/- 0.12 A (0.71..1.24 A; 20 structures)