Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.96 3 0.0042 0.17 4 4.2 0.24 0 0.4949 2.88 2 1.21 1 0.0034 0.10 5 4.9 0.30 0 0.5591 4.33 3 1.30 1 0.0029 0.10 6 4.6 0.30 0 0.4855 3.49 4 1.31 5 0.0049 0.13 4 5.8 0.29 0 0.5864 3.27 5 1.50 1 0.0063 0.38 6 5.3 0.28 0 0.5626 3.79 6 1.57 1 0.0029 0.10 7 5.6 0.27 0 0.4540 3.81 7 1.60 6 0.0083 0.28 5 5.6 0.31 0 0.4800 3.82 8 1.61 6 0.0057 0.16 6 6.3 0.30 0 0.5021 3.57 9 1.70 5 0.0076 0.32 6 5.8 0.30 0 0.5177 3.67 10 1.72 0 0.0033 0.09 6 6.7 0.33 0 0.4238 2.92 11 1.73 6 0.0073 0.23 6 6.4 0.30 0 0.4857 2.90 12 1.74 4 0.0053 0.15 6 7.2 0.24 1 0.7401 5.31 13 1.78 3 0.0051 0.19 8 6.7 0.29 0 0.5592 3.37 14 1.79 5 0.0062 0.16 8 7.4 0.30 0 0.5755 3.24 15 1.83 4 0.0054 0.17 6 7.1 0.30 1 0.9353 7.02 16 1.84 6 0.0066 0.16 8 7.1 0.30 0 0.6414 3.95 17 1.84 3 0.0051 0.16 9 6.7 0.33 0 0.5106 2.99 18 1.85 2 0.0090 0.55 8 5.7 0.27 0 0.5615 3.01 19 1.93 6 0.0079 0.37 5 6.5 0.30 2 0.9987 6.32 20 2.00 3 0.0053 0.19 9 6.4 0.33 0 0.5479 3.41 Ave 1.64 4 0.0056 0.21 6 6.1 0.29 0 0.5811 3.85 +/- 0.26 2 0.0017 0.11 1 0.9 0.03 1 0.1455 1.10 Min 0.96 0 0.0029 0.09 4 4.2 0.24 0 0.4238 2.88 Max 2.00 6 0.0090 0.55 9 7.4 0.33 2 0.9987 7.02 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA VAL 79 - HB3 LEU 84 5.50 7 0.07 0.14 ++ + + *++ peak 578 Upper HB ILE 119 - HA ASN 120 5.50 7 0.05 0.17 + ++ +* ++ peak 1996 VdW CG HIS 18 - C HIS 18 2.90 20 0.21 0.23 ++++++*+++++++++++++ VdW HA THR 39 - CD PRO 40 2.60 19 0.27 0.30 +++++++++++++++*++ + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 +++++++++++++++++++* VdW CG2 ILE 119 - C ILE 119 2.90 9 0.14 0.28 ++ ++ +*+ + + VdW CG TRP 135 - C TRP 135 2.90 14 0.18 0.25 + + +++ +++*+++++ VdW CG2 ILE 144 - C ILE 144 2.90 8 0.19 0.33 ++ ++ * ++ + 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 10.42 +/- 2.63 A (6.04..14.95 A) Average heavy atom RMSD to mean : 10.72 +/- 2.60 A (6.52..14.98 A)