Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.79 0 0.0088 0.20 2 7.3 0.25 1 0.8397 5.53 2 1.97 1 0.0090 0.22 3 7.5 0.30 0 0.7768 3.51 3 2.10 2 0.0098 0.26 3 7.6 0.30 1 0.8496 5.08 4 2.11 0 0.0082 0.20 6 8.3 0.30 0 0.7428 3.73 5 2.25 1 0.0098 0.31 4 8.3 0.30 0 0.8134 4.12 6 2.25 3 0.0109 0.48 4 7.3 0.30 0 0.7196 4.73 7 2.34 4 0.0107 0.34 2 8.6 0.30 0 0.8757 4.49 8 2.38 3 0.0105 0.28 4 8.2 0.30 0 0.6843 4.20 9 2.40 3 0.0111 0.36 5 8.5 0.25 0 0.7786 3.41 10 2.40 1 0.0093 0.24 6 9.7 0.30 0 0.7173 3.77 11 2.43 2 0.0129 0.63 2 7.4 0.30 0 0.6606 3.47 12 2.45 2 0.0109 0.26 3 8.9 0.30 0 0.9147 4.57 13 2.45 1 0.0097 0.27 5 9.2 0.28 0 0.7337 3.25 14 2.46 4 0.0117 0.33 4 8.5 0.27 0 0.7608 3.90 15 2.54 1 0.0101 0.28 4 9.1 0.30 0 0.9415 4.63 16 2.62 5 0.0121 0.50 3 8.4 0.25 0 0.6387 3.20 17 2.63 3 0.0131 0.65 4 8.3 0.27 0 0.7820 4.28 18 2.67 3 0.0124 0.38 3 9.5 0.25 0 0.7867 4.97 19 2.68 4 0.0123 0.35 3 8.3 0.30 0 0.8807 4.63 20 2.69 6 0.0128 0.31 3 9.0 0.30 1 0.9141 6.19 Ave 2.38 2 0.0108 0.34 4 8.4 0.29 0 0.7906 4.28 +/- 0.24 2 0.0014 0.13 1 0.7 0.02 0 0.0848 0.77 Min 1.79 0 0.0082 0.20 2 7.3 0.25 0 0.6387 3.20 Max 2.69 6 0.0131 0.65 6 9.7 0.30 1 0.9415 6.19 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW HA ASP 28 - CD PRO 29 2.60 18 0.23 0.30 ++++++++*+++++++ ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++++++++++*+ VdW CG1 VAL 75 - C VAL 75 2.90 12 0.19 0.22 +* ++ +++ ++++ + VdW HA ASP 123 - CD PRO 124 2.60 8 0.18 0.25 *++ ++ + + + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.46 +/- 0.09 A (0.34..0.69 A; 20 structures) Average heavy atom RMSD to mean : 0.95 +/- 0.08 A (0.82..1.12 A; 20 structures)