Structural statistics: str target upper limits lower limits van der Waals torsion angles function # rms max # rms max # sum max # rms max 1 0.76 5 0.0042 0.30 0 0.0004 0.00 2 2.6 0.29 0 0.1596 1.46 2 0.79 6 0.0044 0.23 0 0.0011 0.01 2 3.1 0.30 0 0.2057 1.29 3 0.81 3 0.0041 0.31 0 0.0004 0.00 2 2.9 0.29 0 0.1423 1.11 4 0.83 4 0.0040 0.25 0 0.0003 0.00 3 3.0 0.29 0 0.2571 2.23 5 0.92 5 0.0046 0.32 0 0.0006 0.01 3 3.1 0.29 0 0.1484 1.18 6 0.93 4 0.0052 0.33 0 0.0016 0.01 2 3.5 0.29 0 0.2026 1.31 7 0.97 8 0.0053 0.24 0 0.0008 0.01 2 2.9 0.29 0 0.3390 2.71 8 1.02 7 0.0061 0.42 0 0.0011 0.01 2 2.8 0.29 0 0.2239 1.22 9 1.20 8 0.0062 0.31 0 0.0006 0.01 3 3.4 0.29 0 0.1974 1.44 10 1.21 9 0.0067 0.43 0 0.0001 0.00 2 3.0 0.29 0 0.1409 1.08 11 1.30 11 0.0067 0.31 0 0.0003 0.00 3 3.7 0.29 0 0.1406 1.15 12 1.32 7 0.0080 0.67 0 0.0002 0.00 2 2.4 0.29 0 0.1438 1.28 13 1.33 10 0.0072 0.43 0 0.0020 0.02 2 3.2 0.29 0 0.2087 1.45 14 1.37 11 0.0061 0.31 0 0.0016 0.01 2 4.7 0.29 0 0.3966 2.77 15 1.43 11 0.0080 0.48 0 0.0000 0.00 3 3.0 0.29 0 0.1874 1.18 16 1.56 12 0.0082 0.62 0 0.0004 0.00 4 3.3 0.29 0 0.1557 1.13 17 1.59 10 0.0065 0.39 0 0.0014 0.01 2 5.0 0.29 0 0.3494 2.81 18 1.67 13 0.0082 0.56 0 0.0009 0.01 2 4.2 0.30 0 0.2136 1.17 19 1.73 10 0.0071 0.56 0 0.0026 0.02 3 4.7 0.39 0 0.2649 2.19 20 1.94 13 0.0101 0.54 0 0.0007 0.01 2 3.7 0.28 0 0.2709 2.21 Ave 1.23 8 0.0063 0.40 0 0.0009 0.01 2 3.4 0.30 0 0.2174 1.62 +/- 0.34 3 0.0016 0.13 0 0.0007 0.01 1 0.7 0.02 0 0.0733 0.60 Min 0.76 3 0.0040 0.23 0 0.0000 0.00 2 2.4 0.28 0 0.1406 1.08 Max 1.94 13 0.0101 0.67 0 0.0026 0.02 4 5.0 0.39 0 0.3966 2.81 Cut 0.10 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 LYS 19 - QG1 VAL 20 4.21 11 0.15 0.42 + ++ +++ +++* + peak 10748 Upper H VAL 20 - HB VAL 20 2.95 11 0.17 0.41 + ++ +++ *+++ + peak 6170 Upper H VAL 20 - H ALA 21 3.30 6 0.06 0.19 + + + * + + peak 6173 Upper HB3 GLU 40 - QB ALA 41 4.83 6 0.04 0.14 + + + +* + peak 10932 Upper QG2 VAL 77 - HE ARG 90 3.80 6 0.04 0.15 + + + +*+ peak 9676 VdW HA ILE 80 - CD PRO 81 2.60 20 0.29 0.30 +*++++++++++++++++++ VdW HA VAL 112 - CD PRO 113 2.60 20 0.27 0.27 ++++*+++++++++++++++ 5 violated distance restraints. 2 violated van der Waals restraints. 0 violated angle restraints. RMSDs for residues 36..131: Average backbone RMSD to mean : 0.22 +/- 0.04 A (0.16..0.32 A; 20 structures) Average heavy atom RMSD to mean : 0.55 +/- 0.04 A (0.48..0.61 A; 20 structures)