Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.29 3 0.0056 0.16 5 5.2 0.30 0 0.3377 3.39 2 1.90 5 0.0074 0.18 6 7.4 0.30 0 0.6315 4.29 3 2.05 6 0.0096 0.43 7 6.1 0.31 0 0.5902 3.95 4 2.08 5 0.0073 0.16 6 7.8 0.33 0 0.6046 3.96 5 2.09 4 0.0064 0.17 8 7.3 0.30 0 0.5158 3.27 6 2.41 5 0.0109 0.51 9 7.6 0.33 0 0.6128 4.16 7 2.42 9 0.0094 0.22 8 7.6 0.33 0 0.6004 4.33 8 2.46 7 0.0150 0.56 5 6.8 0.30 0 0.7127 4.88 9 2.48 10 0.0160 0.54 4 6.7 0.32 0 0.5273 4.15 10 2.59 8 0.0084 0.23 10 8.0 0.31 0 0.7950 3.89 11 2.63 7 0.0143 0.61 5 8.2 0.30 1 0.9546 5.47 12 2.68 10 0.0155 0.51 7 8.1 0.30 0 0.6974 4.26 13 2.69 12 0.0108 0.22 8 8.9 0.31 1 0.8882 6.66 14 2.70 8 0.0133 0.57 6 8.6 0.30 1 0.9205 5.02 15 2.71 14 0.0120 0.27 8 8.3 0.33 0 0.6193 4.35 16 2.81 8 0.0188 0.63 4 6.3 0.30 1 0.8726 5.22 17 2.92 8 0.0122 0.41 7 9.0 0.30 0 0.7532 3.92 18 3.11 15 0.0176 0.57 7 8.2 0.30 0 0.5894 3.46 19 3.38 18 0.0175 0.58 6 9.4 0.30 0 0.8853 4.43 20 3.48 15 0.0182 0.61 6 9.8 0.33 0 0.8088 4.38 Ave 2.54 9 0.0123 0.41 7 7.8 0.31 0 0.6959 4.37 +/- 0.49 4 0.0041 0.18 2 1.1 0.01 0 0.1571 0.77 Min 1.29 3 0.0056 0.16 4 5.2 0.30 0 0.3377 3.27 Max 3.48 18 0.0188 0.63 10 9.8 0.33 1 0.9546 6.66 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA GLU 41 - QG2 ILE 42 5.30 18 0.13 0.15 +++++++++++*+++ +++ peak 3273 Upper H ILE 42 - QG2 ILE 42 3.54 20 0.16 0.19 ++++++++++++++++++*+ peak 55 Upper H ILE 42 - QG2 VAL 43 4.68 6 0.09 0.35 + * ++ ++ peak 2960 Upper HA ILE 42 - HB VAL 75 5.19 6 0.06 0.16 + + + + *+ peak 2836 Upper HB VAL 43 - H VAL 75 4.41 6 0.17 0.63 + + *+ ++ peak 2552 Upper HB3 LEU 87 - QD1 LEU 87 2.97 6 0.06 0.21 * +++ ++ peak 2175 Upper HA GLU 171 - HG3 GLU 171 3.40 6 0.05 0.16 + + + ++* peak 1278 VdW HA ASP 28 - CD PRO 29 2.60 20 0.28 0.31 +++++++++*++++++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 +++++++++++++++++++* VdW N TYR 60 - HD2 PRO 61 2.45 15 0.21 0.26 ++++++*+ +++++ + + VdW CB TYR 60 - CD PRO 61 3.20 20 0.27 0.32 ++++++++*+++++++++++ VdW CG2 ILE 144 - C ILE 144 2.90 19 0.25 0.33 ++++++++ ++++++++++* VdW CG PHE 147 - C PHE 147 2.90 8 0.12 0.25 + ++ + * + + + 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 0.89 +/- 0.19 A (0.69..1.35 A; 20 structures) Average heavy atom RMSD to mean : 1.39 +/- 0.20 A (1.11..1.79 A; 20 structures)