Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 11.29 9 0.0318 0.80 20 21.7 0.63 8 2.0399 12.70 2 11.44 11 0.0320 0.57 18 23.0 0.62 7 1.9585 11.35 3 12.34 10 0.0331 0.73 20 25.1 0.63 11 2.1620 10.84 4 12.39 10 0.0337 0.75 21 24.8 0.63 6 1.8712 11.18 5 12.57 10 0.0311 0.50 28 26.3 0.63 7 2.2519 13.04 6 13.27 10 0.0357 0.74 26 26.3 0.62 4 1.9959 15.29 7 13.64 12 0.0351 0.56 26 26.7 0.62 11 2.1960 15.67 8 13.89 14 0.0364 0.52 24 25.7 0.63 11 2.3896 14.99 9 14.01 16 0.0439 1.06 18 20.7 0.68 6 1.9294 11.86 10 14.02 14 0.0389 0.91 22 24.2 0.62 7 2.0356 14.10 11 14.35 18 0.0424 0.74 16 26.0 0.44 11 2.3457 11.41 12 14.35 16 0.0389 0.67 22 24.8 0.61 10 2.2407 11.18 13 14.37 19 0.0403 0.64 25 26.0 0.61 10 2.0383 6.74 14 14.37 15 0.0414 1.11 22 26.1 0.40 9 2.1760 11.47 15 14.71 22 0.0398 0.73 27 26.5 0.62 7 1.8548 8.07 16 14.73 15 0.0422 1.12 22 26.3 0.40 8 2.2738 13.02 17 15.28 13 0.0374 0.70 23 27.2 0.45 13 3.1984 24.43 18 15.60 14 0.0388 0.88 29 26.5 0.61 9 2.2582 16.60 19 16.02 16 0.0466 1.08 23 21.2 0.67 11 2.1800 11.50 20 16.76 12 0.0385 0.85 28 27.9 0.64 15 2.6626 13.25 Ave 13.97 14 0.0379 0.78 23 25.2 0.59 9 2.2029 12.93 +/- 1.40 3 0.0042 0.19 4 2.0 0.09 3 0.2969 3.52 Min 11.29 9 0.0311 0.50 16 20.7 0.40 4 1.8548 6.74 Max 16.76 22 0.0466 1.12 29 27.9 0.68 15 3.1984 24.43 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 4.62 12 0.30 0.46 ++ ++ * +++ ++++ peak 58 Upper QG2 THR 46 - HG2 PRO 48 3.81 20 0.40 0.73 ++++++++++++++*+++++ peak 2479 Upper HG LEU 47 - H PHE 50 4.17 6 0.28 0.91 *+++ + + peak 1734 Upper QD2 LEU 47 - HB THR 115 3.74 8 0.26 0.66 + + + ++* + + peak 1525 Upper HB3 PHE 50 - HB ILE 63 5.50 8 0.26 0.39 + *+ + + + + + peak 2240 Upper QE PHE 50 - H GLN 51 5.29 7 0.26 0.57 ++ * ++++ peak 1168 Upper QE PHE 50 - HG12 ILE 63 4.48 12 0.36 0.67 ++ + ++ ++*++ ++ peak 252 Upper HA VAL 100 - H ILE 102 5.08 9 0.30 0.47 + ++ +++ + +* peak 584 Upper H GLY 101 - HB ILE 102 5.50 6 0.25 0.43 ++ * +++ peak 978 Upper HG13 ILE 102 - H MET 111 5.50 7 0.17 0.43 + + + ++* + peak 1954 Upper H VAL 103 - QG2 VAL 103 3.15 14 0.35 0.62 +++++ ++ + *+ + ++ + peak 1117 Upper QG1 VAL 113 - H THR 115 3.29 20 0.52 0.70 ++++++++++++++++*+++ peak 543 VdW HB2 LEU 15 - H GLN 16 1.95 8 0.11 0.26 +* ++ + + ++ VdW CD2 LEU 15 - C LEU 15 3.10 12 0.18 0.34 *+ ++ + +++ ++++ VdW HA ASP 28 - CD PRO 29 2.60 12 0.22 0.29 ++ ++ + +++ + *++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 +++++++*++++++++++++ VdW HG LEU 47 - O LEU 47 2.30 7 0.14 0.28 ++* ++ + + VdW CG2 ILE 63 - C ILE 63 2.90 16 0.23 0.33 +++ +++++++ + +*+++ VdW HA VAL 64 - CD PRO 65 2.60 6 0.17 0.25 + + * + + + VdW N VAL 79 - CG2 VAL 79 2.85 7 0.08 0.24 ++ + + +* + VdW N ILE 102 - CG2 ILE 102 2.85 11 0.19 0.24 ++ + +++ * + + ++ VdW CG1 ILE 102 - C ILE 102 2.90 19 0.27 0.33 +++++ +++++*++++++++ VdW HG12 ILE 102 - C ILE 102 2.50 17 0.24 0.40 +++++ ++++ *++ +++++ VdW N VAL 103 - CG2 VAL 103 2.85 6 0.12 0.25 * ++ + ++ VdW H VAL 103 - CG2 VAL 103 2.55 8 0.12 0.34 + +* ++ + + + VdW CG1 VAL 103 - C VAL 103 2.90 6 0.10 0.32 *+ + + + + VdW C ASP 106 - HD21 ASN 107 2.45 13 0.14 0.20 ++++*+++ + + + + + VdW O ASP 106 - CB ASN 107 2.90 15 0.44 0.60 ++++*+++ + ++ + ++ + VdW O ASP 106 - HB3 ASN 107 2.30 14 0.44 0.63 +++*++++ + ++ + + + VdW O ASP 106 - CG ASN 107 2.80 13 0.16 0.22 +++++*++ + + + + + VdW ND2 ASN 107 - C ASN 107 2.95 13 0.15 0.24 ++++++++ + * + + + VdW O SER 108 - CB GLU 109 2.90 6 0.20 0.44 + * ++++ VdW CG2 ILE 119 - C ILE 119 2.90 20 0.31 0.33 *+++++++++++++++++++ VdW HA ASP 123 - CD PRO 124 2.60 8 0.14 0.31 + ++ + + ++ * VdW CG2 ILE 150 - C ILE 150 2.90 11 0.19 0.26 + * ++ ++++++ + Angle PSI PRO 29 -37.00 -25.00 9 3.79 5.73 ++ *+++ ++ + Angle PSI LEU 47 94.00 144.00 18 11.62 16.60 ++++++++++++ + ++*++ Angle PSI CYS 62 148.00 170.00 8 4.46 9.50 * ++ ++ + ++ Angle PHI ILE 63 -151.00 -129.00 12 5.31 9.38 + * +++ ++ + ++++ Angle PSI GLU 105 -55.00 -35.00 10 4.34 7.85 +++ ++ ++ * + + Angle PHI ASP 106 -81.00 -55.00 12 5.03 10.12 + + ++*+ ++ + +++ Angle PSI SER 108 -45.00 9.00 10 5.65 10.95 +++ ++ + +* + + Angle PHI LYS 110 -109.00 -67.00 11 5.20 8.84 *+++++++ +++ Angle PSI LYS 114 134.00 164.00 16 6.17 9.82 ++ ++ ++ +++++++*++ 12 violated distance constraints. 9 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.67 +/- 1.94 A (4.39..11.37 A) Average heavy atom RMSD to mean : 7.84 +/- 1.92 A (4.65..11.57 A)