Structural statistics: str target van der Waals function # sum max 1 1.76 5 10.0 0.24 2 1.93 6 10.1 0.34 3 2.01 5 10.0 0.34 4 2.02 6 10.8 0.24 5 2.04 5 11.0 0.30 6 2.05 6 10.4 0.29 7 2.06 6 10.9 0.29 8 2.07 6 10.9 0.30 9 2.08 5 10.6 0.33 10 2.09 6 10.6 0.34 11 2.09 5 11.2 0.30 12 2.09 6 11.1 0.30 13 2.12 6 11.1 0.30 14 2.16 7 10.3 0.34 15 2.16 6 10.9 0.30 16 2.22 6 10.8 0.34 17 2.23 6 10.9 0.35 18 2.24 6 10.7 0.34 19 2.24 7 11.1 0.33 20 2.27 6 11.5 0.30 Ave 2.10 6 10.8 0.31 +/- 0.12 1 0.4 0.03 Min 1.76 5 10.0 0.24 Max 2.27 7 11.5 0.35 Cut 0.20 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW HA ASP 2 - CD PRO 3 2.60 20 0.27 0.30 ++++++++++++*+++++++ VdW HD2 ARG 9 - HH11 ARG 9 1.95 9 0.10 0.21 + + + *++ ++ + VdW CA LEU 26 - CD1 LEU 26 3.00 20 0.22 0.23 +*++++++++++++++++++ VdW HA LEU 26 - CD1 LEU 26 2.60 20 0.27 0.35 ++++++++++++++++*+++ VdW H GLU 68 - CG GLU 68 2.55 20 0.22 0.23 +++++++++++++++++*++ VdW CD1 LEU 87 - C LEU 87 3.10 20 0.24 0.24 +++++*++++++++++++++ 6 violated van der Waals restraints. Hydrogen bonds: # 1 5 10 15 20 H TYR 10 - O PRO 6 20 ++++++++++++++++++++ H ALA 11 - O PHE 7 20 ++++++++++++++++++++ H ALA 13 - O ARG 9 17 ++++++ +++++++++++ H GLU 15 - O ALA 11 17 +++ ++++++++++++ ++ H HIS 16 - O LEU 12 20 ++++++++++++++++++++ H LEU 17 - O ALA 13 20 ++++++++++++++++++++ H HIS 19 - O HIS 16 16 +++ +++++ ++++++ ++ H ASN 21 - O HIS 16 20 ++++++++++++++++++++ H ALA 25 - O ASN 21 20 ++++++++++++++++++++ H LEU 26 - O ALA 22 20 ++++++++++++++++++++ H LEU 28 - O ARG 24 20 ++++++++++++++++++++ H GLU 30 - O LEU 26 20 ++++++++++++++++++++ H GLU 31 - O ALA 27 20 ++++++++++++++++++++ H LEU 32 - O LEU 28 20 ++++++++++++++++++++ H VAL 33 - O PHE 29 16 +++++ ++++++++ ++ + H GLU 34 - O GLU 30 20 ++++++++++++++++++++ H THR 35 - O GLU 31 20 ++++++++++++++++++++ H LEU 46 - O THR 42 20 ++++++++++++++++++++ H GLY 47 - O TYR 43 20 ++++++++++++++++++++ H LYS 48 - O TYR 44 20 ++++++++++++++++++++ H LEU 49 - O HIS 45 20 ++++++++++++++++++++ H TYR 50 - O LEU 46 20 ++++++++++++++++++++ H ASP 54 - O GLU 51 19 ++++++++ +++++++++++ H ARG 55 - O TYR 50 20 ++++++++++++++++++++ H ALA 59 - O ARG 55 20 ++++++++++++++++++++ H ILE 60 - O THR 56 16 + +++++ +++++++++ + H THR 62 - O ASP 58 20 ++++++++++++++++++++ H TYR 63 - O ALA 59 20 ++++++++++++++++++++ H ALA 64 - O ILE 60 20 ++++++++++++++++++++ H GLN 65 - O ASP 61 20 ++++++++++++++++++++ H GLY 66 - O THR 62 20 ++++++++++++++++++++ H ILE 67 - O TYR 63 20 ++++++++++++++++++++ H ARG 71 - O ILE 67 20 ++++++++++++++++++++ H GLU 73 - O VAL 69 20 ++++++++++++++++++++ H GLY 74 - O VAL 69 20 ++++++++++++++++++++ H SER 80 - O GLN 76 20 ++++++++++++++++++++ H GLU 81 - O LYS 77 20 ++++++++++++++++++++ H LEU 82 - O ASP 78 20 ++++++++++++++++++++ H GLN 83 - O LEU 79 20 ++++++++++++++++++++ H ASP 84 - O SER 80 20 ++++++++++++++++++++ H ALA 85 - O GLU 81 20 ++++++++++++++++++++ H LYS 86 - O LEU 82 20 ++++++++++++++++++++ H LEU 87 - O GLN 83 20 ++++++++++++++++++++ H LYS 88 - O ASP 84 20 ++++++++++++++++++++ H ALA 89 - O ALA 85 20 ++++++++++++++++++++ H GLY 91 - O LYS 88 20 ++++++++++++++++++++ H LEU 92 - O ALA 89 20 ++++++++++++++++++++ 47 hydrogen bonds. RMSDs for residues 5..90: Average backbone RMSD to mean : 0.10 +/- 0.01 A (0.08..0.13 A; 20 structures) Average heavy atom RMSD to mean : 0.55 +/- 0.02 A (0.51..0.59 A; 20 structures)