Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 8.93 9 0.0316 0.81 11 20.4 0.34 8 1.8993 10.02 2 9.96 12 0.0345 0.81 15 21.7 0.32 7 1.9606 11.05 3 10.65 7 0.0300 0.57 18 24.6 0.33 11 2.3383 11.10 4 11.14 10 0.0311 0.69 18 24.8 0.36 15 2.4439 13.64 5 11.30 10 0.0339 0.81 20 24.6 0.41 7 2.0607 12.96 6 11.69 15 0.0363 0.57 17 25.7 0.37 6 1.7824 8.40 7 11.86 13 0.0371 0.81 17 24.3 0.38 5 2.1469 14.74 8 12.52 13 0.0410 1.11 15 22.9 0.37 7 2.0124 12.25 9 12.68 14 0.0377 0.82 20 25.7 0.33 9 2.2701 13.23 10 12.77 14 0.0393 0.81 20 27.0 0.31 8 1.7504 7.99 11 13.01 10 0.0367 0.83 21 25.6 0.36 13 2.4460 11.88 12 13.10 12 0.0396 0.82 18 24.4 0.45 9 2.1354 14.23 13 13.12 10 0.0342 0.54 24 26.6 0.33 15 2.6231 11.78 14 13.74 11 0.0394 1.16 25 25.8 0.46 12 2.2229 9.15 15 13.83 18 0.0430 1.28 19 24.6 0.35 10 2.1697 10.20 16 13.97 17 0.0440 1.17 25 22.5 0.35 8 2.0257 11.91 17 13.99 16 0.0435 0.82 20 26.2 0.33 6 1.8979 11.53 18 14.01 13 0.0374 0.58 23 28.5 0.34 19 2.7293 14.04 19 14.04 12 0.0385 0.82 23 27.4 0.41 9 2.3970 13.58 20 14.11 13 0.0422 1.24 25 25.8 0.36 13 2.0264 8.39 Ave 12.52 12 0.0376 0.85 20 25.0 0.36 10 2.1669 11.60 +/- 1.47 3 0.0040 0.22 4 1.9 0.04 4 0.2607 2.01 Min 8.93 7 0.0300 0.54 11 20.4 0.31 5 1.7504 7.99 Max 14.11 18 0.0440 1.28 25 28.5 0.46 19 2.7293 14.74 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG LEU 15 - HA GLN 16 4.63 8 0.19 0.44 + *+ ++ + + + peak 58 Upper HB3 HIS 18 - QD2 LEU 84 5.50 8 0.25 0.55 + + + +* + ++ peak 109 Upper H MET 35 - HG LEU 36 5.50 7 0.27 0.56 + +++ ++ * peak 1020 Upper H ILE 42 - QD1 ILE 42 3.33 20 0.67 0.83 ++++++++++*+++++++++ peak 55 Upper HB3 PHE 50 - HB ILE 63 5.50 14 0.33 0.47 ++++*+ +++ ++ ++ + peak 2240 Upper QG2 ILE 63 - H TYR 116 4.42 8 0.27 0.52 +*+ ++ ++ + peak 147 Upper HA VAL 79 - HB3 LEU 84 5.27 7 0.15 0.40 + + + + + +* peak 578 Upper QG2 VAL 79 - HB3 LEU 84 4.83 8 0.28 0.69 + * + ++ + ++ peak 588 Upper HA ASN 86 - HB2 LEU 87 5.50 15 0.34 0.57 ++*+ +++++ + ++ + ++ peak 2308 Upper HZ2 TRP 118 - H ASP 123 3.35 6 0.17 0.53 ++ + * ++ peak 544 VdW HB2 LEU 15 - H GLN 16 1.95 7 0.09 0.26 +* ++ + + + VdW CD2 LEU 15 - C LEU 15 3.10 8 0.13 0.35 + *+ ++ + + + VdW CG HIS 18 - C HIS 18 2.90 12 0.20 0.23 + +++ + ++*++ ++ VdW CG1 VAL 20 - C VAL 20 2.90 6 0.13 0.33 + * + + + + VdW HA ASP 28 - CD PRO 29 2.60 20 0.30 0.31 +++++++++++++*++++++ VdW N LEU 36 - CD2 LEU 36 3.05 7 0.11 0.32 + +*+ ++ + VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++*+++++++++++++++ VdW CB TYR 60 - CD PRO 61 3.20 7 0.15 0.41 ++ ++ + *+ VdW CG2 ILE 63 - C ILE 63 2.90 8 0.17 0.33 + ++ + *+++ VdW HA VAL 64 - CD PRO 65 2.60 13 0.20 0.25 + ++* + + ++ ++ +++ VdW CG1 VAL 64 - C VAL 64 2.90 6 0.08 0.28 *+ ++ + + VdW N VAL 79 - CG2 VAL 79 2.85 6 0.16 0.24 ++ + + * + VdW O THR 80 - N LEU 84 2.75 8 0.18 0.26 + + * ++ + ++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 19 0.23 0.26 ++++++++*+++ +++++++ VdW CG1 ILE 102 - C ILE 102 2.90 7 0.20 0.32 + + ++ + * + VdW CG2 ILE 119 - C ILE 119 2.90 20 0.28 0.32 ++++++++++++++*+++++ VdW CG TRP 135 - C TRP 135 2.90 7 0.16 0.25 ++*++ + + VdW CG2 ILE 144 - C ILE 144 2.90 20 0.29 0.33 +++++++++++++++*++++ VdW CG2 ILE 150 - C ILE 150 2.90 7 0.17 0.29 ++ + *+ ++ Angle PHI VAL 34 -81.00 -61.00 20 6.90 11.78 ++++++++++++*+++++++ Angle PSI THR 39 120.00 150.00 9 4.96 8.96 *+ ++++ ++ + Angle PSI LEU 47 94.00 144.00 15 5.48 8.96 ++++ + + +*+ +++ +++ Angle PSI CYS 62 148.00 170.00 14 7.54 14.74 +++++ *++ ++ ++++ Angle PHI ILE 63 -151.00 -129.00 12 5.70 12.25 ++++ +*+ + ++++ Angle PHI LEU 84 -73.00 -53.00 8 3.28 5.84 + + * ++ + ++ Angle PSI TRP 118 113.00 153.00 8 3.87 12.87 + +++++ * + Angle PHI ILE 119 -78.00 -50.00 9 5.72 14.04 + + + +++ *++ Angle PSI ILE 119 -43.00 -21.00 8 4.17 13.24 + +++ ++ + * Angle PHI ASN 120 -107.00 -79.00 6 4.15 13.58 +++ ++ * Angle PSI HIS 139 -37.00 5.00 8 3.52 11.91 ++ ++ ++ * + Angle PHI LYS 141 -75.00 -55.00 11 4.40 8.28 *+ ++ ++++ +++ Angle PSI LYS 142 -49.00 -29.00 6 3.30 9.41 ++ * ++ + 10 violated distance constraints. 13 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 10.05 +/- 2.35 A (6.93..15.13 A) Average heavy atom RMSD to mean : 10.39 +/- 2.35 A (7.28..15.24 A)