Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 24.59 2 0.0578 0.99 12 22.5 0.38 5 2.1734 6.80 2 24.65 2 0.0578 1.05 13 19.9 0.45 4 2.0078 7.36 3 24.70 2 0.0594 1.00 14 21.1 0.37 1 1.6981 8.22 4 25.29 2 0.0577 0.97 18 24.5 0.39 4 2.0949 7.47 5 26.32 2 0.0587 0.98 14 27.7 0.44 4 1.8774 6.50 6 27.00 2 0.0604 1.05 20 24.4 0.39 5 1.9635 6.93 7 27.21 2 0.0601 1.07 23 23.9 0.35 6 2.3307 11.10 8 27.40 1 0.0612 1.02 19 25.0 0.34 7 1.9545 8.82 9 27.67 4 0.0599 1.04 20 25.7 0.41 8 2.5180 8.54 10 27.76 1 0.0617 0.93 21 24.7 0.40 3 1.9907 10.89 11 27.79 1 0.0608 0.94 19 25.4 0.38 3 2.1619 8.13 12 28.26 0 0.0607 0.88 22 26.0 0.35 8 2.6349 9.33 13 28.31 3 0.0615 0.98 22 24.8 0.41 5 2.2363 9.69 14 28.56 3 0.0569 1.01 29 27.2 0.43 8 4.1637 31.69 15 28.71 2 0.0611 0.94 20 26.2 0.48 5 2.2704 11.67 16 29.00 2 0.0619 0.91 24 26.1 0.33 9 2.6114 9.58 17 29.10 2 0.0616 1.05 26 27.6 0.38 4 2.0342 7.50 18 29.24 2 0.0640 0.99 15 22.9 0.38 8 2.2292 8.93 19 29.27 1 0.0608 0.93 20 27.3 0.51 5 2.3961 10.38 20 29.42 1 0.0633 0.98 21 23.0 0.46 4 2.2890 8.31 Ave 27.51 2 0.0604 0.99 20 24.8 0.40 5 2.2818 9.89 +/- 1.58 1 0.0018 0.05 4 2.1 0.05 2 0.4922 5.20 Min 24.59 0 0.0569 0.88 12 19.9 0.33 1 1.6981 6.50 Max 29.42 4 0.0640 1.07 29 27.7 0.51 9 4.1637 31.69 Cut 0.90 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PHE 60 - HB ILE 61 4.62 13 0.93 1.05 ++++++ + ++++* + peak 2627 HA PHE 60 - HB ILE 261 Upper HA PHE 260 - HB ILE 261 4.62 18 0.96 1.07 ++++++*++++ +++++++ peak 2627 HB ILE 61 - HA PHE 260 VdW CB PRO 37 - H ASN 38 2.55 7 0.09 0.27 + * + + ++ + VdW CB ALA 39 - H GLU 40 2.55 10 0.19 0.38 + ++ + +++ ++* VdW HA ASP 42 - CD PRO 43 2.60 18 0.25 0.31 + ++ ++++*++++++++++ VdW CG1 ILE 61 - C ILE 61 2.90 20 0.26 0.33 ++++++++++++++++++*+ VdW CG GLU 90 - C GLU 90 2.90 8 0.10 0.24 * ++ ++++ + VdW CB ALA 239 - H GLU 240 2.55 12 0.22 0.39 ++ + ++ + ++ ++ + * VdW HA ASP 242 - CD PRO 243 2.60 18 0.25 0.31 ++ +*+++++++ +++++++ VdW CG1 ILE 261 - C ILE 261 2.90 16 0.23 0.30 + +++ +++++++++++* VdW CG GLU 290 - C GLU 290 2.90 7 0.08 0.24 + ++ + * ++ Angle PHI LEU 54 -71.00 -51.00 6 4.04 8.93 + +++ + * Angle PHI HIS 69 -75.00 -55.00 15 7.02 11.10 + +*+++++++++ +++ Angle PHI LYS 76 -75.00 -55.00 8 4.13 7.50 + ++ + + +*+ Angle PSI THR 268 -51.00 -31.00 8 4.68 8.22 +* ++ + + + + Angle PHI HIS 269 -75.00 -55.00 10 4.94 11.67 + + ++++++ * + Angle PHI LYS 276 -75.00 -55.00 7 3.68 5.89 + *+ + ++ + 2 violated distance constraints. 6 violated angle constraints. RMSDs for residues 50..78: Average backbone RMSD to mean : 1.47 +/- 0.50 A (0.88..3.19 A) Average heavy atom RMSD to mean : 1.99 +/- 0.58 A (1.25..4.12 A)