Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 4.08 14 0.0155 0.34 6 9.9 0.33 4 1.3834 7.67 2 4.62 10 0.0171 0.50 7 11.6 0.29 4 1.2769 6.74 3 4.79 12 0.0166 0.40 7 11.8 0.44 3 1.2047 6.36 4 5.03 14 0.0175 0.37 7 12.1 0.32 3 1.2387 6.43 5 5.06 14 0.0182 0.60 5 12.5 0.33 5 1.3736 6.57 6 5.12 23 0.0191 0.36 4 12.9 0.30 3 1.2931 6.11 7 5.14 17 0.0190 0.65 6 12.0 0.32 3 1.2713 6.05 8 5.19 17 0.0179 0.36 5 13.6 0.30 4 1.3229 6.20 9 5.21 17 0.0174 0.35 9 13.5 0.39 2 1.3266 5.28 10 5.25 16 0.0178 0.50 9 12.9 0.30 3 1.3069 6.54 11 5.32 17 0.0189 0.45 7 13.1 0.30 2 1.2760 5.56 12 5.51 15 0.0208 0.65 6 11.7 0.28 5 1.2104 5.79 13 5.53 16 0.0177 0.37 7 15.0 0.30 3 1.3427 7.76 14 5.69 14 0.0184 0.46 9 14.8 0.30 3 1.2629 6.06 15 5.82 16 0.0194 0.62 6 14.1 0.31 2 1.3372 6.27 16 5.82 17 0.0206 0.66 7 12.6 0.30 4 1.2878 6.68 17 5.84 19 0.0189 0.46 9 13.7 0.47 2 1.2088 5.37 18 5.87 19 0.0199 0.63 8 13.1 0.30 4 1.5029 7.03 19 5.88 18 0.0200 0.62 7 14.0 0.30 5 1.4570 7.15 20 5.90 18 0.0200 0.74 9 12.5 0.30 4 1.4505 7.47 Ave 5.33 16 0.0185 0.51 7 12.9 0.32 3 1.3167 6.45 +/- 0.47 3 0.0014 0.13 1 1.2 0.05 1 0.0814 0.69 Min 4.08 10 0.0155 0.34 4 9.9 0.28 2 1.2047 5.28 Max 5.90 23 0.0208 0.74 9 15.0 0.47 5 1.5029 7.76 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD1 LEU 17 - HA3 GLY 78 3.97 9 0.11 0.27 * ++ ++ + +++ peak 3088 Upper QD2 LEU 17 - HA3 GLY 78 3.97 9 0.15 0.36 + ++ ++ + ++* peak 527 Upper QD PHE 21 - QQG VAL 71 3.47 11 0.20 0.24 ++*+++ ++ +++ peak 3330 Upper HA LEU 36 - HG LEU 36 3.41 15 0.20 0.25 ++ +++++* + ++++++ peak 3072 Upper HA ILE 42 - QB LEU 76 4.12 17 0.24 0.40 + + +++++*++ +++++++ peak 2839 Upper QD1 ILE 42 - H VAL 43 4.54 19 0.34 0.50 +++++++++*+++++++ ++ peak 3258 Upper QQD LEU 76 - H MET 77 3.80 13 0.20 0.36 + ++++++ + +++ +* peak 87 Upper QQG VAL 79 - H LEU 87 4.21 6 0.15 0.28 ++ + + *+ peak 2965 Upper HA GLU 83 - HD22 ASN 86 4.93 9 0.18 0.34 + ++ + ++ ++ * peak 2212 Upper H THR 99 - HB THR 99 3.30 6 0.07 0.24 + + + * + + peak 2201 Upper QD1 ILE 102 - HG2 MET 111 3.97 6 0.19 0.24 + + *+ + + peak 3256 Upper QQG VAL 103 - H SER 108 4.10 18 0.23 0.33 ++++++++ ++++ ++*+++ peak 3038 Upper HG3 MET 111 - H ALA 112 4.37 20 0.32 0.37 +++*++++++++++++++++ peak 848 Upper HA LYS 140 - HB ILE 144 5.40 9 0.19 0.23 + + *+ ++ + + + peak 2404 Upper HA LYS 141 - QD1 ILE 144 4.09 19 0.23 0.25 ++*+++++++++ +++++++ peak 2086 Upper QD1 ILE 144 - H GLU 145 4.31 18 0.24 0.30 ++++++++++ +++ ++*++ peak 2091 Upper H VAL 168 - H LEU 169 4.09 11 0.15 0.25 + ++ +* ++ ++++ peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 18 0.24 0.29 +++*++++++ ++++++++ VdW CG2 ILE 32 - C ILE 32 2.90 12 0.21 0.27 +++ ++++ + * + ++ VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 +++++++++++++++*++++ VdW CG1 VAL 75 - C VAL 75 2.90 9 0.18 0.29 * + + ++ + ++ + VdW O ARG 104 - O ASN 107 2.60 17 0.25 0.39 ++++++ +*++ +++ ++++ VdW O ASN 120 - C LYS 121 2.80 19 0.28 0.47 ++++++++++++++ +*+++ VdW HA ASP 123 - CD PRO 124 2.60 16 0.24 0.31 +++++ + +++ ++ +*+++ Angle PSI CYS 62 148.00 170.00 12 5.20 6.38 ++ + ++ + +++ ++* Angle PHI ILE 63 -151.00 -129.00 16 5.55 6.87 +++++++ +++++ ++* + Angle PSI MET 117 116.00 154.00 7 4.81 7.76 ++ + +* + + Angle PHI TRP 118 -129.00 -69.00 14 5.33 7.03 + +++++++ + ++ *++ 17 violated distance constraints. 4 violated angle constraints. RMSDs for residues 18..123: Average backbone RMSD to mean : 0.50 +/- 0.10 A (0.31..0.71 A; 20 structures) Average heavy atom RMSD to mean : 1.03 +/- 0.07 A (0.93..1.17 A; 20 structures)