Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 9.30 4 0.0241 0.52 11 22.7 0.39 10 2.2867 14.63 2 11.13 7 0.0276 0.56 17 23.4 0.49 12 2.4754 17.04 3 11.73 11 0.0360 1.10 14 20.5 0.34 10 2.1846 10.56 4 11.84 8 0.0302 0.71 15 24.6 0.49 11 2.4470 18.11 5 12.38 8 0.0326 0.82 17 24.2 0.45 9 2.3211 18.05 6 12.47 15 0.0333 0.59 13 24.3 0.39 10 2.3613 15.01 7 13.08 12 0.0366 1.06 21 23.0 0.35 11 2.2958 10.62 8 13.22 9 0.0368 1.09 16 24.3 0.37 11 2.2745 12.34 9 13.75 8 0.0350 1.20 19 26.9 0.38 14 2.5785 16.23 10 13.76 13 0.0361 0.81 21 25.8 0.41 12 2.0185 8.86 11 13.87 12 0.0391 1.25 13 22.6 0.44 8 2.3891 17.93 12 14.13 10 0.0391 1.19 13 24.8 0.34 13 2.4876 15.82 13 14.22 14 0.0387 1.05 21 22.4 0.38 16 2.5222 12.66 14 15.36 13 0.0397 1.23 22 25.5 0.47 14 2.5659 17.28 15 15.43 14 0.0450 1.20 14 21.8 0.40 11 2.1802 11.98 16 15.49 12 0.0403 1.25 18 26.6 0.34 18 2.6166 15.10 17 15.69 10 0.0302 0.46 33 32.0 0.49 12 2.4641 18.14 18 15.77 20 0.0355 0.57 30 26.8 0.58 11 2.4578 15.56 19 15.81 15 0.0375 0.75 26 28.4 0.40 12 2.4487 16.60 20 15.95 11 0.0386 1.14 24 28.2 0.40 15 2.6635 17.54 Ave 13.72 11 0.0356 0.93 19 25.0 0.42 12 2.4020 15.00 +/- 1.79 3 0.0047 0.27 6 2.6 0.06 2 0.1587 2.80 Min 9.30 4 0.0241 0.46 11 20.5 0.34 8 2.0185 8.86 Max 15.95 20 0.0450 1.25 33 32.0 0.58 18 2.6635 18.14 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QG2 VAL 31 - HB ILE 32 5.15 6 0.17 0.36 ++ + * ++ peak 2668 Upper QG2 ILE 42 - HB VAL 75 3.08 6 0.45 1.20 +* ++ + + peak 497 Upper HB2 LEU 59 - HD3 ARG 97 5.50 11 0.30 0.48 ++ *+ ++ + ++ + + peak 3429 Upper HA VAL 79 - HB3 LEU 84 5.50 6 0.27 0.52 * + ++ + + peak 578 Upper HA ASN 86 - HB2 LEU 87 5.50 15 0.40 0.62 ++++++++ +++ *+ ++ peak 2308 VdW HA ASP 28 - CD PRO 29 2.60 20 0.29 0.31 +++++++++*++++++++++ VdW H VAL 34 - CG2 VAL 34 2.55 8 0.19 0.36 + + + * ++ ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++*+++++++++++++++ VdW CG2 ILE 42 - O VAL 75 2.90 6 0.09 0.33 *+ ++ + + VdW HA PHE 50 - HD1 PHE 50 2.00 6 0.10 0.35 +++ + +* VdW HA PHE 50 - CD2 PHE 50 2.60 6 0.12 0.31 ++ + + +* VdW HA PHE 50 - HD2 PHE 50 2.00 10 0.16 0.45 + ++ +++ ++ +* VdW CD1 LEU 59 - O LEU 59 2.90 13 0.19 0.31 ++ ++ ++*++ ++ ++ VdW O LEU 59 - C TYR 60 2.80 16 0.32 0.42 ++ +*++++++ +++ + ++ VdW CB TYR 60 - CD PRO 61 3.20 20 0.34 0.49 +++++++++++++++++*++ VdW CG1 VAL 79 - O VAL 79 2.90 7 0.13 0.32 + * + ++++ VdW O SER 81 - CB GLU 85 2.90 8 0.18 0.25 *+ +++ + + + VdW O ASP 106 - CB ASN 107 2.90 15 0.21 0.31 ++ +++ *+++ + +++++ VdW O ASP 106 - HB3 ASN 107 2.30 6 0.18 0.49 * ++ + + + VdW CG ARG 137 - C ARG 137 2.90 7 0.10 0.24 + + + +* ++ Angle PHI VAL 34 -81.00 -61.00 6 3.81 6.85 + + + +* + Angle PSI THR 39 120.00 150.00 8 4.76 10.57 + * +++ + ++ Angle PSI PRO 40 116.00 150.00 6 3.24 7.61 + + +++ * Angle PSI LEU 47 94.00 144.00 16 7.54 12.81 +++ +++ ++ ++ +++*++ Angle PHI VAL 75 -136.00 -112.00 8 5.05 7.90 + ++ ++ * + + Angle PSI ASP 82 -52.00 -32.00 6 4.45 5.56 ++ * + + + Angle PHI GLU 83 -78.00 -58.00 12 5.68 10.85 ++ ++++ ++ * + + + Angle PSI ASN 86 -49.00 -29.00 8 4.52 9.86 + + *+ ++++ Angle PHI ASP 88 -73.00 -53.00 6 2.89 6.41 + * + + ++ Angle PHI GLU 91 -77.00 -57.00 6 3.87 6.18 + + + +* + Angle PHI TYR 95 -144.00 -114.00 6 4.19 6.38 + + + * ++ Angle PSI TYR 95 142.00 162.00 9 5.04 9.91 ++ + + ++ *+ + Angle PSI ARG 97 115.00 135.00 18 7.50 10.92 ++++ +++* ++++++++++ Angle PHI VAL 98 -133.00 -111.00 18 6.61 11.31 +*+++++++ ++++++ +++ Angle PSI GLU 105 -55.00 -35.00 9 3.80 6.88 + ++ ++ + + +* Angle PSI ASP 106 -48.00 -12.00 15 11.99 18.14 ++ +++ ++++ + +*+++ Angle PSI ILE 144 -54.00 -34.00 7 4.93 6.03 + + + + ++ * 5 violated distance constraints. 17 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 0.84 +/- 0.11 A (0.61..1.10 A; 20 structures) Average heavy atom RMSD to mean : 1.38 +/- 0.12 A (1.14..1.58 A; 20 structures)