Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.04 4 0.0208 0.39 3 9.4 0.30 0 0.7951 3.35 2 3.33 3 0.0217 0.38 4 9.9 0.30 0 0.7217 3.36 3 3.41 7 0.0246 0.43 2 9.0 0.29 0 0.6858 2.74 4 3.53 5 0.0230 0.46 3 10.8 0.31 0 0.7709 3.38 5 3.92 8 0.0266 0.45 2 9.9 0.31 0 0.6655 2.91 6 3.97 6 0.0245 0.46 5 10.2 0.32 0 0.8009 4.13 7 4.01 6 0.0273 0.63 3 8.5 0.32 0 0.8193 2.82 8 4.28 6 0.0262 0.49 3 11.9 0.29 0 0.7547 3.37 9 4.38 9 0.0275 0.49 2 10.8 0.30 0 0.8488 3.34 10 4.40 7 0.0250 0.43 6 12.2 0.32 0 0.7625 2.62 11 4.43 5 0.0265 0.58 4 11.4 0.35 0 0.7555 3.43 12 4.46 7 0.0261 0.45 4 11.6 0.34 0 0.9192 4.13 13 4.48 6 0.0252 0.43 4 12.0 0.30 0 0.9603 3.66 14 4.54 8 0.0250 0.46 8 11.8 0.31 0 0.7062 3.39 15 4.58 8 0.0270 0.46 5 12.1 0.31 0 0.9361 3.83 16 4.66 5 0.0268 0.43 3 12.0 0.31 2 1.2941 6.19 17 4.73 7 0.0277 0.43 3 11.5 0.30 0 1.1956 4.51 18 4.78 6 0.0276 0.42 4 11.8 0.30 1 1.0361 5.14 19 4.83 10 0.0292 0.43 3 11.2 0.30 1 1.1457 5.39 20 4.86 6 0.0244 0.50 8 13.0 0.30 2 1.9455 15.16 Ave 4.23 6 0.0256 0.46 4 11.0 0.31 0 0.9260 4.34 +/- 0.53 2 0.0021 0.06 2 1.2 0.02 1 0.2902 2.64 Min 3.04 3 0.0208 0.38 2 8.5 0.29 0 0.6655 2.62 Max 4.86 10 0.0292 0.63 8 13.0 0.35 2 1.9455 15.16 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 PHE 41 - HB3 ASP 42 5.50 20 0.40 0.58 ++++++++++*+++++++++ peak 1836 Upper HB3 PHE 241 - HB3 ASP 242 5.50 20 0.37 0.43 ++++++++++++++++++*+ peak 1836 Upper HA LYS 280 - QD2 LEU 282 3.53 9 0.24 0.41 * + + + ++ +++ peak 2528 HA GLN 281 - QD2 LEU 282 VdW HA ASP 42 - CD PRO 43 2.60 20 0.30 0.31 +++*++++++++++++++++ VdW HA ASP 242 - CD PRO 243 2.60 20 0.29 0.31 +++++++++++++*++++++ 3 violated distance constraints. 0 violated angle constraints. RMSDs for residues 50..78: Average backbone RMSD to mean : 0.62 +/- 0.44 A (0.18..1.89 A) Average heavy atom RMSD to mean : 1.20 +/- 0.37 A (0.81..2.54 A)