Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.68 5 0.0122 0.38 4 9.1 0.30 0 0.9162 4.98 2 2.79 6 0.0131 0.28 3 9.0 0.30 0 0.8280 4.20 3 2.94 1 0.0125 0.37 5 9.6 0.30 1 0.9006 5.28 4 2.98 5 0.0136 0.36 5 8.9 0.30 0 0.8068 4.00 5 3.10 5 0.0125 0.27 5 9.8 0.30 2 1.0457 6.19 6 3.19 7 0.0137 0.34 2 10.0 0.30 1 0.9574 6.29 7 3.23 5 0.0139 0.36 2 10.3 0.30 0 0.9654 4.98 8 3.30 5 0.0133 0.38 5 10.3 0.30 1 1.0207 5.54 9 3.35 4 0.0132 0.28 7 10.7 0.30 2 0.9041 5.28 10 3.36 6 0.0142 0.36 5 10.3 0.30 1 1.0705 5.30 11 3.48 8 0.0149 0.37 5 10.4 0.30 2 1.0898 6.95 12 3.49 7 0.0165 0.72 5 8.2 0.30 0 0.9194 3.99 13 3.51 7 0.0151 0.59 3 10.1 0.30 0 0.8491 4.20 14 3.51 6 0.0147 0.32 2 10.7 0.30 0 1.0126 4.78 15 3.51 6 0.0141 0.37 5 11.3 0.30 1 0.9554 5.03 16 3.53 5 0.0145 0.34 6 11.0 0.29 0 0.8719 4.78 17 3.55 7 0.0137 0.32 7 10.6 0.31 2 1.0834 5.46 18 3.57 7 0.0134 0.28 6 11.5 0.30 0 0.8781 3.85 19 3.76 7 0.0150 0.42 5 11.4 0.30 0 0.9127 4.51 20 3.78 5 0.0133 0.31 6 13.1 0.29 0 1.0156 4.94 Ave 3.33 6 0.0139 0.37 5 10.3 0.30 1 0.9502 5.03 +/- 0.30 1 0.0010 0.10 1 1.1 0.00 1 0.0835 0.79 Min 2.68 1 0.0122 0.27 2 8.2 0.29 0 0.8068 3.85 Max 3.78 8 0.0165 0.72 7 13.1 0.31 2 1.0898 6.95 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLN 16 - H LEU 17 3.91 7 0.16 0.38 + ++ ++* + peak 160 Upper QD1 LEU 17 - HA3 GLY 78 3.97 10 0.12 0.27 + * ++ ++ + +++ peak 3088 Upper QD2 LEU 17 - HA3 GLY 78 3.97 10 0.17 0.38 + + +* ++ + +++ peak 527 Upper QG1 VAL 20 - H LYS 114 3.97 6 0.10 0.37 ++ + *+ + peak 2804 Upper QD PHE 21 - QQG VAL 71 3.47 7 0.20 0.31 + + ++ +* + peak 3330 Upper H THR 99 - HB THR 99 3.30 6 0.07 0.24 + ++ + +* peak 2201 Upper H VAL 168 - H LEU 169 4.09 11 0.15 0.25 ++ + ++ ++* + ++ peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 19 0.24 0.28 +++++ ++++++++*+++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++++++*+++++ VdW CG1 VAL 75 - C VAL 75 2.90 11 0.20 0.23 + + * ++++ +++ + VdW HA ASP 123 - CD PRO 124 2.60 13 0.22 0.31 ++++ + +++ + ++*+ 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..123: Average backbone RMSD to mean : 0.50 +/- 0.09 A (0.37..0.69 A; 20 structures) Average heavy atom RMSD to mean : 1.02 +/- 0.08 A (0.88..1.21 A; 20 structures)