Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.84 0 0.0024 0.09 2 4.1 0.24 0 0.4325 2.91 2 0.86 1 0.0031 0.11 2 4.0 0.25 0 0.3990 2.76 3 0.91 1 0.0034 0.15 1 4.3 0.25 0 0.4407 2.93 4 0.92 0 0.0023 0.09 1 4.0 0.25 0 0.3515 3.32 5 0.98 3 0.0055 0.23 2 3.9 0.30 0 0.4745 3.22 6 0.98 1 0.0038 0.23 3 4.0 0.25 0 0.3022 3.13 7 1.09 6 0.0066 0.23 2 4.5 0.24 0 0.4307 3.07 8 1.14 1 0.0048 0.23 2 5.3 0.25 0 0.5399 2.90 9 1.18 1 0.0048 0.23 3 5.1 0.25 0 0.4476 2.98 10 1.20 4 0.0061 0.23 3 5.0 0.25 0 0.6470 4.69 11 1.21 4 0.0070 0.23 2 4.9 0.30 0 0.4422 3.07 12 1.37 2 0.0069 0.30 3 6.1 0.30 0 0.5818 3.88 13 1.39 2 0.0048 0.23 3 6.0 0.31 0 0.4279 3.04 14 1.45 0 0.0047 0.09 5 6.1 0.29 0 0.6271 3.24 15 1.49 1 0.0028 0.10 6 5.8 0.27 0 0.2891 2.30 16 1.68 0 0.0034 0.10 5 6.6 0.31 0 0.3872 3.33 17 1.73 4 0.0050 0.19 4 6.3 0.25 0 0.3784 2.74 18 1.82 6 0.0079 0.34 4 7.1 0.27 0 0.6191 4.35 19 1.87 4 0.0073 0.29 6 6.3 0.27 0 0.4437 3.49 20 1.88 7 0.0068 0.18 4 7.6 0.34 0 0.5477 3.88 Ave 1.30 2 0.0050 0.19 3 5.4 0.27 0 0.4605 3.26 +/- 0.34 2 0.0017 0.08 1 1.1 0.03 0 0.1006 0.55 Min 0.84 0 0.0023 0.09 1 3.9 0.24 0 0.2891 2.30 Max 1.88 7 0.0079 0.34 6 7.6 0.34 0 0.6470 4.69 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 17 - H HIS 18 3.32 8 0.09 0.23 *+++ ++ + + peak 62 VdW HA THR 39 - CD PRO 40 2.60 15 0.23 0.30 ++ + ++++*+ +++ +++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.25 0.25 +++++++++++++*++++++ 1 violated distance constraint. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.64 +/- 2.37 A (5.29..13.99 A) Average heavy atom RMSD to mean : 8.85 +/- 2.26 A (5.62..13.89 A)