Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.80 0 0.0076 0.16 4 7.2 0.30 0 0.6366 3.47 2 1.85 1 0.0079 0.23 5 7.0 0.30 0 0.6633 3.36 3 1.88 1 0.0084 0.23 4 7.4 0.26 0 0.8219 4.38 4 1.95 1 0.0088 0.30 5 7.7 0.30 0 0.6026 3.20 5 2.10 3 0.0090 0.25 6 7.7 0.30 0 0.7578 4.00 6 2.21 3 0.0116 0.42 3 6.9 0.30 0 0.7467 3.50 7 2.23 0 0.0087 0.19 5 8.9 0.30 0 0.7857 4.61 8 2.24 3 0.0106 0.44 3 7.7 0.30 0 0.6737 4.34 9 2.32 2 0.0101 0.38 4 8.0 0.30 0 0.7743 4.90 10 2.33 1 0.0106 0.26 2 8.3 0.26 0 0.7274 3.50 11 2.34 3 0.0118 0.38 2 8.1 0.27 0 0.7922 4.46 12 2.43 3 0.0115 0.38 4 8.1 0.29 1 0.7912 5.99 13 2.45 2 0.0111 0.45 2 8.4 0.30 0 0.8362 4.49 14 2.46 1 0.0106 0.39 2 9.3 0.30 0 0.7051 3.00 15 2.46 3 0.0116 0.47 3 8.2 0.30 0 0.6911 3.57 16 2.50 4 0.0110 0.34 6 8.6 0.30 0 0.6616 3.85 17 2.55 2 0.0097 0.30 6 8.8 0.30 1 0.7474 7.02 18 2.56 1 0.0090 0.28 5 9.7 0.30 0 0.7836 4.96 19 2.58 4 0.0104 0.31 6 9.4 0.29 0 0.7743 3.78 20 2.64 4 0.0109 0.36 4 8.7 0.30 1 0.9182 5.19 Ave 2.29 2 0.0100 0.33 4 8.2 0.29 0 0.7445 4.28 +/- 0.25 1 0.0013 0.09 1 0.8 0.02 0 0.0739 0.97 Min 1.80 0 0.0076 0.16 2 6.9 0.26 0 0.6026 3.00 Max 2.64 4 0.0118 0.47 6 9.7 0.30 1 0.9182 7.02 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 19 0.24 0.30 +++++++++++ *+++++++ VdW CG2 ILE 32 - C ILE 32 2.90 6 0.17 0.22 +* ++ + + VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++*++++++++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 8 0.18 0.22 +*+ + + + ++ VdW HA ASP 123 - CD PRO 124 2.60 9 0.19 0.30 ++ ++ + ++ +* 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.47 +/- 0.10 A (0.30..0.70 A; 20 structures) Average heavy atom RMSD to mean : 0.98 +/- 0.10 A (0.82..1.17 A; 20 structures)