Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 9.00 9 0.0337 0.70 14 16.8 0.32 10 2.3480 15.44 2 9.24 8 0.0345 0.60 15 18.2 0.32 11 2.2701 15.08 3 10.10 12 0.0373 0.92 16 18.3 0.30 10 2.3222 16.08 4 10.14 11 0.0366 0.65 12 18.4 0.33 16 2.6476 15.31 5 10.16 10 0.0356 0.54 15 20.6 0.33 14 2.5786 16.46 6 10.30 12 0.0398 0.77 8 20.9 0.30 10 2.2845 15.30 7 10.44 7 0.0378 0.92 12 19.1 0.30 14 2.5756 15.20 8 10.56 9 0.0375 0.58 16 20.6 0.30 12 2.4697 15.42 9 10.77 10 0.0419 0.87 9 18.7 0.29 9 2.4528 15.42 10 10.88 10 0.0395 0.91 13 20.6 0.35 13 2.5044 15.67 11 11.24 8 0.0393 0.97 16 22.5 0.36 8 2.2171 15.13 12 11.24 8 0.0403 0.87 11 20.5 0.41 11 2.4435 15.71 13 11.39 10 0.0383 0.63 18 21.5 0.36 13 2.2718 15.41 14 11.84 9 0.0364 0.71 18 24.9 0.34 13 2.5853 16.11 15 11.90 10 0.0394 0.61 16 20.3 0.44 12 2.9137 16.65 16 11.95 12 0.0407 0.70 15 20.7 0.38 10 2.5919 15.58 17 12.24 15 0.0427 0.63 12 22.4 0.32 13 2.5182 15.02 18 12.36 10 0.0408 0.83 20 24.4 0.40 9 2.3908 15.90 19 12.51 13 0.0427 0.92 17 21.6 0.38 14 2.6612 13.55 20 12.57 14 0.0420 0.60 19 22.5 0.30 11 2.6867 16.06 Ave 11.04 10 0.0388 0.75 15 20.7 0.34 12 2.4867 15.53 +/- 1.03 2 0.0026 0.14 3 2.0 0.04 2 0.1707 0.63 Min 9.00 7 0.0337 0.54 8 16.8 0.29 8 2.2171 13.55 Max 12.57 15 0.0427 0.97 20 24.9 0.44 16 2.9137 16.65 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ILE 32 - QD2 LEU 36 3.64 20 0.66 0.97 ++++++++++*+++++++++ peak 384 Upper H MET 35 - HG LEU 36 5.50 9 0.28 0.59 *+++ +++++ peak 1020 Upper HA GLU 41 - HB ILE 42 5.50 9 0.23 0.50 + ++ ++ + * ++ peak 271 Upper H ILE 42 - HB ILE 42 3.11 12 0.40 0.60 +*+ ++ ++ ++ + ++ peak 58 Upper QD1 LEU 87 - QG2 ILE 119 3.26 7 0.22 0.54 * ++ ++ + + peak 2174 Upper QD1 LEU 87 - QD1 ILE 119 4.15 7 0.17 0.51 ++ + + + *+ peak 2005 Upper HG13 ILE 102 - H MET 111 5.50 10 0.29 0.39 ++++ + ++ * ++ peak 1954 Upper HB2 ARG 104 - H ASP 106 3.63 6 0.19 0.57 + + ++ * + peak 446 Upper HB2 ARG 104 - H SER 108 4.92 8 0.29 0.54 + ++ + + *+ + peak 610 Upper HG2 ARG 104 - H ASP 106 4.08 10 0.30 0.92 + *+ + + + + +++ peak 454 Upper HD3 ARG 104 - H ASN 107 4.41 9 0.37 0.87 + ++ +++*+ + peak 432 Upper H ASP 106 - H SER 108 4.70 7 0.15 0.39 + ++ + +*+ peak 608 Upper H ASN 107 - H SER 108 3.21 8 0.19 0.39 + ++ + + +*+ peak 603 Upper HB3 LYS 114 - HA TYR 116 5.50 6 0.25 0.36 + + + *++ peak 882 Upper H GLU 134 - HE1 HIS 139 5.16 16 0.38 0.92 ++ + ++++++++ +++ *+ peak 182 VdW O ILE 32 - HB2 LEU 36 2.30 6 0.15 0.33 + + *++ + VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++*+++++++++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 9 0.13 0.25 ++ + + ++ +*+ VdW CG1 ILE 42 - C ILE 42 2.90 9 0.21 0.32 * + ++ ++ + + + VdW HG12 ILE 42 - C ILE 42 2.50 9 0.13 0.32 *++ ++ ++ + + VdW CG1 VAL 71 - C VAL 71 2.90 9 0.15 0.31 +++++ + ++* VdW CG2 VAL 75 - C VAL 75 2.90 8 0.13 0.33 ++* ++ + + + VdW CG1 VAL 79 - C VAL 79 2.90 7 0.10 0.26 *+ + ++ ++ VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 +++++++++++++++++++* VdW H ARG 104 - CG ARG 104 2.55 7 0.10 0.25 + +* + + ++ VdW H TRP 118 - CG TRP 118 2.55 6 0.10 0.32 ++ + + * + VdW CG2 ILE 119 - C ILE 119 2.90 18 0.25 0.33 ++++++++++++++* +++ VdW HA ASP 123 - CD PRO 124 2.60 6 0.09 0.29 +* + + + + Angle PSI ASN 33 -52.00 -32.00 6 3.11 11.38 + + *+ + + Angle PHI VAL 34 -81.00 -61.00 16 6.26 9.73 ++++ +++++++++ * ++ Angle PSI LEU 47 94.00 144.00 8 3.96 7.14 +++++ + + * Angle PHI GLU 96 -157.00 -125.00 7 4.80 7.82 ++++ + +* Angle PHI VAL 103 -130.00 -84.00 14 5.46 7.46 +++ +*++ ++++++ + Angle PHI ASP 106 -81.00 -55.00 8 4.44 11.70 + ++ + + ++* Angle PHI SER 108 -88.00 -50.00 15 5.20 7.99 ++++*+++ +++++++ Angle PSI LYS 110 125.00 147.00 7 4.57 7.05 + ++++* + Angle PHI TYR 116 -125.00 -97.00 16 6.91 9.44 +++++ +++ ++*++++ + Angle PSI TRP 135 -52.00 -32.00 20 15.42 16.46 ++++*+++++++++++++++ Angle PHI LYS 136 -72.00 -52.00 17 5.60 6.98 ++++*++++++++++ ++ Angle PSI LEU 138 -45.00 -15.00 7 4.76 12.37 + +++ ++ * Angle PHI HIS 139 -115.00 -77.00 12 5.46 13.55 ++ +++++++ ++ * 15 violated distance constraints. 13 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 4.17 +/- 0.92 A (2.63..5.77 A) Average heavy atom RMSD to mean : 4.65 +/- 0.91 A (3.21..6.32 A)