Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.36 0 0.0092 0.19 3 7.5 0.25 0 0.4080 3.59 2 2.40 1 0.0098 0.20 1 8.1 0.21 0 0.3474 2.49 3 2.43 0 0.0096 0.20 1 7.9 0.22 0 0.4620 3.75 4 2.52 1 0.0099 0.26 1 8.1 0.24 0 0.3104 2.28 5 2.54 0 0.0095 0.19 2 8.0 0.23 0 0.4586 3.10 6 2.62 1 0.0093 0.20 1 8.1 0.23 0 0.4492 3.50 7 2.64 1 0.0100 0.21 1 8.3 0.24 0 0.3279 3.15 8 2.68 3 0.0110 0.28 1 8.3 0.21 0 0.3461 3.14 9 2.70 2 0.0103 0.23 1 9.2 0.24 0 0.5366 3.51 10 2.71 1 0.0093 0.23 2 8.0 0.24 0 0.4556 3.08 11 2.78 1 0.0106 0.21 4 8.7 0.28 0 0.2676 1.85 12 2.87 0 0.0093 0.20 2 7.7 0.23 0 0.4170 2.90 13 2.87 1 0.0103 0.20 0 9.1 0.17 0 0.3741 2.80 14 2.89 0 0.0105 0.19 1 8.0 0.22 0 0.3660 2.76 15 2.90 1 0.0106 0.20 1 9.0 0.23 0 0.3118 2.20 16 3.02 4 0.0111 0.32 2 8.6 0.20 0 0.5070 4.78 17 3.06 3 0.0115 0.39 3 8.9 0.29 0 0.3351 2.41 18 3.10 3 0.0117 0.27 1 9.1 0.23 0 0.5604 3.56 19 3.11 0 0.0101 0.19 4 8.6 0.25 0 0.3751 3.03 20 3.13 7 0.0128 0.27 1 8.5 0.22 0 0.4429 3.05 Ave 2.77 2 0.0103 0.23 2 8.4 0.23 0 0.4029 3.05 +/- 0.24 2 0.0009 0.05 1 0.5 0.03 0 0.0779 0.64 Min 2.36 0 0.0092 0.19 0 7.5 0.17 0 0.2676 1.85 Max 3.13 7 0.0128 0.39 4 9.2 0.29 0 0.5604 4.78 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW CG HIS 51 - C HIS 51 2.90 7 0.17 0.25 *+ + +++ + VdW H LEU 118 - CG LEU 118 2.55 9 0.15 0.24 + + ++ *+ + + + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.43 +/- 0.13 A (0.20..0.71 A; 20 structures) Average heavy atom RMSD to mean : 0.82 +/- 0.08 A (0.70..0.98 A; 20 structures)