Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.65 3 0.0049 0.20 1 3.4 0.24 0 0.4221 2.86 2 0.78 3 0.0051 0.18 2 3.6 0.30 0 0.4229 2.78 3 0.84 2 0.0039 0.15 2 3.7 0.25 0 0.3534 2.62 4 0.88 5 0.0053 0.20 3 3.7 0.24 0 0.2583 2.42 5 1.13 3 0.0048 0.16 4 4.6 0.29 0 0.4297 2.96 6 1.15 1 0.0037 0.16 5 4.7 0.30 0 0.3439 2.83 7 1.25 3 0.0047 0.12 4 5.2 0.30 0 0.2864 2.43 8 1.29 1 0.0033 0.12 5 5.4 0.27 0 0.4830 2.79 9 1.30 5 0.0073 0.37 4 5.4 0.24 0 0.3720 2.94 10 1.32 2 0.0058 0.33 5 5.1 0.27 0 0.4219 2.83 11 1.38 5 0.0081 0.44 3 5.2 0.26 0 0.3694 2.55 12 1.43 3 0.0043 0.17 5 5.5 0.33 0 0.3982 2.66 13 1.49 2 0.0051 0.18 6 6.0 0.30 0 0.3528 3.17 14 1.51 2 0.0049 0.22 6 5.5 0.27 0 0.4640 2.71 15 1.56 2 0.0040 0.18 7 5.7 0.29 0 0.4146 2.74 16 1.58 1 0.0038 0.15 7 6.0 0.30 0 0.4557 3.39 17 1.62 2 0.0061 0.22 5 6.5 0.30 0 0.5030 3.89 18 1.65 5 0.0066 0.20 3 6.9 0.30 0 0.5332 4.05 19 1.65 3 0.0049 0.20 6 6.4 0.30 0 0.4766 2.92 20 1.69 9 0.0067 0.18 5 6.3 0.30 0 0.5367 2.93 Ave 1.31 3 0.0052 0.21 4 5.2 0.28 0 0.4149 2.92 +/- 0.31 2 0.0012 0.08 2 1.0 0.02 0 0.0733 0.41 Min 0.65 1 0.0033 0.12 1 3.4 0.24 0 0.2583 2.42 Max 1.69 9 0.0081 0.44 7 6.9 0.33 0 0.5367 4.05 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H THR 39 - HB THR 39 3.13 9 0.06 0.15 + +++ ++++ * peak 560 Upper HA ILE 102 - HG12 ILE 102 3.48 7 0.04 0.13 ++ +*+ + + peak 1952 Upper HB ILE 119 - HA ASN 120 5.50 12 0.11 0.20 *+++++ + ++ + ++ peak 1996 VdW HA THR 39 - CD PRO 40 2.60 13 0.25 0.30 + +++++ ++ ++*++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 15 0.18 0.25 ++++ +++++*+++ ++ VdW N TYR 60 - HD2 PRO 61 2.45 7 0.09 0.26 + +*++ ++ VdW CB TYR 60 - CD PRO 61 3.20 9 0.12 0.29 ++ ++++ * ++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 13 0.16 0.25 ++++++ ++ +++* + VdW CG2 ILE 119 - C ILE 119 2.90 8 0.11 0.27 ++ * + +++ + 3 violated distance constraints. 6 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.51 +/- 1.75 A (3.74..10.38 A; 20 structures) Average heavy atom RMSD to mean : 6.68 +/- 1.68 A (4.07..10.41 A; 20 structures)