Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 4.61 18 0.0179 0.42 9 13.3 0.34 5 1.3706 11.25 2 4.82 15 0.0140 0.45 9 12.4 0.58 3 1.3950 12.79 3 4.92 13 0.0162 0.41 9 12.3 0.36 5 1.8588 20.48 4 5.57 23 0.0180 0.46 10 13.9 0.51 2 1.6217 15.99 5 5.66 15 0.0174 0.48 12 11.9 0.56 4 1.6621 15.47 6 5.99 23 0.0307 0.83 10 10.7 0.39 2 1.0960 8.03 7 5.99 22 0.0209 0.43 10 15.3 0.36 5 1.9249 20.60 8 6.00 16 0.0304 0.82 10 10.9 0.37 2 1.0391 6.35 9 6.01 21 0.0183 0.36 12 15.8 0.36 3 1.9229 20.92 10 6.42 18 0.0158 0.36 15 16.7 0.62 4 1.2406 7.64 11 6.62 24 0.0202 0.45 15 15.1 0.59 3 1.5987 14.25 12 6.67 30 0.0232 0.41 11 14.7 0.50 3 1.7523 16.26 13 6.69 29 0.0337 0.84 10 11.2 0.35 3 1.1356 7.91 14 6.79 22 0.0202 0.55 13 16.8 0.63 3 1.3361 7.03 15 6.84 31 0.0318 0.81 13 13.2 0.39 4 1.1117 6.72 16 7.17 38 0.0244 0.33 14 17.4 0.47 2 1.3753 7.22 17 7.18 32 0.0227 0.38 15 17.7 0.36 6 2.0397 20.89 18 7.18 34 0.0223 0.56 15 16.0 0.53 7 1.8814 14.03 19 7.21 21 0.0317 0.83 15 13.2 0.40 5 1.3335 8.45 20 7.25 26 0.0200 0.47 15 16.6 0.61 6 1.5754 10.42 Ave 6.28 24 0.0225 0.53 12 14.3 0.46 4 1.5136 12.64 +/- 0.81 7 0.0059 0.18 2 2.2 0.10 1 0.3054 5.13 Min 4.61 13 0.0140 0.33 9 10.7 0.34 2 1.0391 6.35 Max 7.25 38 0.0337 0.84 15 17.7 0.63 7 2.0397 20.92 Cut 0.10 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 5.24 12 0.09 0.18 ++ ++ ++ +*+++ + peak 2668 Upper HB2 LEU 47 - HB VAL 71 4.93 8 0.16 0.46 + * + +++ + + peak 2440 Upper HB3 LEU 47 - HG13 ILE 102 5.50 13 0.11 0.26 + + + ++++++ +*+ + peak 1519 Upper QE PHE 50 - HG12 ILE 63 5.32 8 0.08 0.20 + ++ ++ + + * peak 252 Upper HB3 LYS 68 - HA2 GLY 69 5.00 8 0.09 0.32 * + + + ++ ++ peak 433 Upper QG1 VAL 71 - H HIS 72 3.86 7 0.07 0.25 + + + ++* + peak 646 Upper HB3 LEU 87 - QD1 LEU 87 3.00 11 0.10 0.18 ++ ++ ++ +++ * + peak 2175 Upper QD1 ILE 102 - HA ARG 104 4.55 7 0.09 0.19 +++ * + + + peak 1965 Upper HA VAL 103 - HB3 LYS 110 5.21 10 0.09 0.21 + + +*++ + + + + peak 745 Upper QG2 VAL 103 - H SER 108 3.76 6 0.06 0.23 *+ + + + + peak 609 Upper QG2 VAL 103 - H MET 111 3.86 20 0.23 0.35 ++++++++++++++*+++++ peak 262 Upper HD3 ARG 104 - HD22 ASN 107 4.84 6 0.07 0.34 * + + + ++ peak 1763 Upper H SER 108 - HB3 GLU 109 5.50 8 0.08 0.24 + + ++ + * + + peak 614 VdW HA ASP 28 - CD PRO 29 2.60 7 0.14 0.29 + + ++ + *+ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++*+++++++++++++++ VdW CG2 ILE 63 - C ILE 63 2.90 12 0.20 0.32 + ++ + *++ +++++ VdW N VAL 79 - CG2 VAL 79 2.85 6 0.07 0.25 + ++ ++* VdW CG1 ILE 102 - C ILE 102 2.90 20 0.27 0.30 ++++*+++++++++++++++ VdW HG12 ILE 102 - C ILE 102 2.50 12 0.21 0.34 *+++ ++++ ++ ++ VdW O ASP 106 - CB ASN 107 2.90 14 0.33 0.59 ++++ + ++++ * +++ + VdW O ASP 106 - HB3 ASN 107 2.30 10 0.31 0.63 + ++ +++ * + + + VdW CA ASN 107 - HD21 ASN 107 2.55 9 0.16 0.33 + ++ ++* + + + VdW CG2 ILE 119 - C ILE 119 2.90 15 0.22 0.33 *++ ++++++++ +++ + Angle PSI LEU 47 94.00 144.00 18 6.45 8.14 +++*+++ +++++++++++ Angle PSI GLU 105 -55.00 -35.00 8 3.70 7.52 ++ * ++ ++ + Angle PSI ASP 106 -48.00 -12.00 18 11.65 20.92 +++++++*++++++ ++++ 13 violated distance constraints. 3 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.44 +/- 2.46 A (3.90..13.51 A) Average heavy atom RMSD to mean : 8.60 +/- 2.31 A (4.30..13.44 A)