Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.44 2 0.0076 0.19 5 5.9 0.30 0 0.5511 3.14 2 1.96 4 0.0110 0.32 7 6.2 0.33 0 0.5866 2.96 3 1.97 5 0.0118 0.46 6 6.7 0.30 0 0.7024 3.71 4 2.43 10 0.0145 0.41 6 7.7 0.31 0 0.7240 3.87 5 2.43 10 0.0145 0.35 8 7.4 0.30 0 0.6437 4.07 6 2.93 13 0.0179 0.41 8 7.9 0.31 0 0.6678 4.59 7 3.23 12 0.0134 0.26 8 10.2 0.36 1 0.8765 5.84 8 3.26 14 0.0148 0.31 7 10.6 0.33 2 0.9225 7.60 9 3.39 19 0.0176 0.37 6 9.6 0.31 4 1.2000 6.24 10 3.41 22 0.0167 0.28 6 11.5 0.30 0 0.9918 4.86 11 3.56 11 0.0200 0.64 9 10.1 0.30 1 0.9010 6.09 12 3.56 12 0.0177 0.45 7 10.2 0.34 1 1.1085 6.58 13 3.88 22 0.0201 0.65 9 11.1 0.31 1 0.9423 6.44 14 4.03 10 0.0203 0.68 10 11.3 0.33 1 1.0326 5.02 15 4.04 15 0.0147 0.32 9 12.0 0.33 5 1.6881 11.44 16 4.18 23 0.0194 0.38 11 11.8 0.31 1 0.9055 6.59 17 4.27 20 0.0174 0.38 11 12.2 0.33 2 1.0146 5.21 18 4.27 17 0.0186 0.55 16 13.1 0.30 0 0.8415 4.62 19 4.71 16 0.0279 1.06 7 10.6 0.30 1 1.1202 9.01 20 4.81 16 0.0239 0.65 8 10.6 0.35 4 1.6101 10.91 Ave 3.39 14 0.0170 0.46 8 9.8 0.32 1 0.9515 5.94 +/- 0.92 6 0.0044 0.20 2 2.1 0.02 1 0.2923 2.28 Min 1.44 2 0.0076 0.19 5 5.9 0.30 0 0.5511 2.96 Max 4.81 23 0.0279 1.06 16 13.1 0.36 5 1.6881 11.44 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 15 - HG LEU 15 3.43 8 0.08 0.25 + * + + ++++ peak 1372 Upper H HIS 18 - HD2 HIS 18 3.95 9 0.11 0.22 ++ ++ ++ +*+ peak 854 Upper QG2 VAL 31 - HB ILE 32 5.50 18 0.13 0.26 + +++++++*+ ++++++++ peak 2668 Upper HG LEU 36 - H ASP 37 5.50 7 0.07 0.21 *+ ++++ + peak 1432 Upper QD2 LEU 59 - QG1 VAL 64 4.97 6 0.08 0.40 + + + ++ * peak 2193 Upper HD1 TRP 135 - H LYS 136 4.45 6 0.06 0.27 + + ++ + * peak 1517 VdW CG HIS 18 - C HIS 18 2.90 11 0.20 0.24 ++++* + + ++ ++ VdW HA ASP 28 - CD PRO 29 2.60 18 0.27 0.30 +++++++ *+++ +++++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++*+++++++++++++++++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.25 0.25 +++++++*++++++++++++ VdW CG2 ILE 119 - C ILE 119 2.90 13 0.20 0.28 ++*+ + ++++ + ++ + VdW N ASP 123 - HD2 PRO 124 2.45 6 0.07 0.27 ++ + +* + VdW CB ASP 123 - CD PRO 124 3.20 6 0.07 0.27 ++ + ++ * VdW CG TRP 135 - C TRP 135 2.90 9 0.15 0.24 * + + ++++ + + VdW CG2 ILE 144 - C ILE 144 2.90 13 0.23 0.33 + ++++*++++ + + + 6 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 9.32 +/- 2.98 A (5.61..15.55 A) Average heavy atom RMSD to mean : 9.64 +/- 2.96 A (6.04..15.94 A)