Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.73 1 0.0112 0.25 7 8.7 0.30 1 0.9661 7.30 2 3.05 3 0.0110 0.24 7 9.7 0.31 1 1.1034 7.94 3 3.37 5 0.0136 0.31 6 9.6 0.30 5 1.2350 7.47 4 3.38 5 0.0125 0.35 8 10.3 0.30 0 1.0254 4.62 5 3.41 1 0.0119 0.31 5 10.8 0.35 1 1.0130 6.88 6 3.43 3 0.0126 0.36 7 10.4 0.31 1 1.0978 5.51 7 3.43 4 0.0122 0.27 6 11.4 0.30 1 1.1797 5.87 8 3.43 5 0.0124 0.33 5 10.1 0.30 3 1.1428 8.06 9 3.45 4 0.0129 0.37 6 9.9 0.48 1 0.9887 7.92 10 3.49 6 0.0139 0.38 6 9.1 0.32 3 1.2890 7.70 11 3.54 4 0.0134 0.31 6 10.5 0.30 1 1.0634 5.06 12 3.56 3 0.0125 0.26 6 10.5 0.31 3 1.3723 11.05 13 3.62 7 0.0131 0.31 8 10.6 0.31 1 1.1323 7.09 14 3.66 9 0.0156 0.36 4 10.5 0.30 0 1.0444 4.52 15 3.67 2 0.0128 0.37 6 10.7 0.48 1 1.0047 7.29 16 3.72 4 0.0131 0.35 6 11.1 0.37 1 1.0373 6.08 17 3.74 6 0.0133 0.25 7 10.9 0.36 1 1.0976 7.11 18 3.75 4 0.0144 0.60 6 9.8 0.48 0 0.9016 4.80 19 3.80 8 0.0140 0.38 8 10.9 0.30 0 0.9141 4.63 20 3.80 5 0.0123 0.39 8 11.3 0.34 2 1.2218 6.42 Ave 3.50 4 0.0129 0.34 6 10.3 0.34 1 1.0915 6.67 +/- 0.25 2 0.0010 0.08 1 0.7 0.06 1 0.1195 1.56 Min 2.73 1 0.0110 0.24 4 8.7 0.30 0 0.9016 4.52 Max 3.80 9 0.0156 0.60 8 11.4 0.48 5 1.3723 11.05 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 6 0.12 0.38 + ++ + *+ peak 160 Upper QD PHE 21 - QQG VAL 71 3.47 6 0.18 0.29 *+ + + + + peak 3330 Upper H THR 99 - HB THR 99 3.30 11 0.13 0.24 +++ +++ ++* + + peak 2201 Upper H VAL 168 - H LEU 169 4.09 8 0.12 0.25 + + +* + +++ peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 20 0.24 0.28 +++++++++++++++*++++ VdW CG2 ILE 32 - C ILE 32 2.90 10 0.19 0.24 *+++ + ++ + + + VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++*+++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 11 0.19 0.23 + +* ++ + +++ + + VdW O ARG 104 - O ASN 107 2.60 19 0.26 0.30 +++++++++++++*+++ ++ VdW O ASN 120 - C LYS 121 2.80 19 0.30 0.48 ++++++++*++++ ++++++ VdW HA ASP 123 - CD PRO 124 2.60 17 0.26 0.31 +* + +++++ +++++++++ Angle PHI GLU 105 -68.00 -48.00 8 4.19 8.06 +++ *++ + + Angle PSI ASN 120 -9.00 11.00 8 4.60 11.05 + + ++ + * + + 4 violated distance constraints. 2 violated angle constraints. RMSDs for residues 18..123: Average backbone RMSD to mean : 0.48 +/- 0.08 A (0.34..0.71 A; 20 structures) Average heavy atom RMSD to mean : 1.00 +/- 0.10 A (0.83..1.25 A; 20 structures)