Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.77 3 0.0128 0.36 4 8.4 0.30 0 0.7055 3.37 2 3.04 3 0.0131 0.40 5 9.7 0.30 0 0.8944 4.93 3 3.10 4 0.0128 0.30 6 9.5 0.30 0 0.9559 4.76 4 3.11 7 0.0137 0.36 5 9.2 0.30 0 0.9709 4.88 5 3.13 5 0.0133 0.30 5 9.4 0.30 1 1.0010 5.33 6 3.20 3 0.0129 0.22 5 10.0 0.30 0 0.9823 4.83 7 3.27 4 0.0132 0.30 4 10.5 0.30 0 1.0714 4.96 8 3.30 7 0.0141 0.33 4 10.2 0.29 0 0.9387 4.20 9 3.44 3 0.0127 0.27 6 10.9 0.31 0 0.9015 4.63 10 3.45 8 0.0146 0.33 4 9.8 0.30 0 1.0172 4.89 11 3.45 7 0.0138 0.31 6 10.9 0.30 1 1.0201 5.62 12 3.46 7 0.0150 0.44 4 10.1 0.30 0 0.9079 4.54 13 3.46 8 0.0147 0.33 4 10.6 0.30 1 1.0531 5.52 14 3.47 6 0.0139 0.39 5 10.4 0.30 0 0.9518 4.43 15 3.54 6 0.0141 0.35 4 11.5 0.30 0 0.9016 3.84 16 3.54 6 0.0140 0.33 6 10.4 0.30 1 1.0432 5.25 17 3.59 7 0.0142 0.33 5 10.2 0.31 3 1.1402 6.91 18 3.61 7 0.0150 0.38 3 10.6 0.31 0 0.8934 3.77 19 3.64 7 0.0144 0.32 5 9.6 0.30 1 1.0347 5.90 20 3.74 9 0.0150 0.33 4 10.7 0.30 0 1.0252 4.84 Ave 3.37 6 0.0139 0.33 5 10.1 0.30 0 0.9705 4.87 +/- 0.24 2 0.0008 0.05 1 0.7 0.00 1 0.0897 0.77 Min 2.77 3 0.0127 0.22 3 8.4 0.29 0 0.7055 3.37 Max 3.74 9 0.0150 0.44 6 11.5 0.31 3 1.1402 6.91 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD1 LEU 17 - HA3 GLY 78 3.97 6 0.07 0.25 + + + ++ * peak 3088 Upper QD2 LEU 17 - HA3 GLY 78 3.97 6 0.10 0.36 * + + ++ + peak 527 Upper HG2 MET 77 - H GLY 78 4.92 7 0.14 0.23 + + + + + * + peak 4697 Upper QQG VAL 79 - H LEU 87 4.21 6 0.15 0.31 + + * ++ + peak 2965 Upper HA GLU 83 - HD22 ASN 86 4.85 7 0.16 0.31 +++ + +* + peak 2212 Upper H THR 99 - HB THR 99 3.25 7 0.10 0.28 + + + *+ + + peak 2201 Upper QQG VAL 103 - H SER 108 4.13 19 0.23 0.33 ++++++++++ ++++*++++ peak 609 VdW HA ASP 28 - CD PRO 29 2.60 20 0.26 0.31 +++++++++++++++++*++ VdW CG2 ILE 32 - C ILE 32 2.90 8 0.19 0.23 +*++ + + ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++*+++++++++++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 13 0.20 0.23 ++++++* + ++ + ++ VdW HA ASP 123 - CD PRO 124 2.60 15 0.24 0.31 + ++++ +++ +++++* + 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.44 +/- 0.09 A (0.28..0.62 A; 20 structures) Average heavy atom RMSD to mean : 0.94 +/- 0.09 A (0.75..1.10 A; 20 structures)