Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.40 6 0.0133 0.25 6 11.1 0.30 0 0.8235 3.90 2 3.54 7 0.0148 0.36 4 10.2 0.30 1 0.9817 5.27 3 3.71 10 0.0156 0.34 6 9.9 0.30 0 0.9945 4.98 4 3.83 10 0.0160 0.33 4 11.0 0.29 0 0.8990 3.94 5 3.92 11 0.0160 0.39 6 10.4 0.29 2 1.0153 6.56 6 4.01 7 0.0154 0.40 9 11.5 0.29 0 0.8744 4.66 7 4.07 8 0.0164 0.36 5 10.9 0.30 2 1.1311 6.57 8 4.11 11 0.0165 0.39 6 10.7 0.34 0 0.9720 4.75 9 4.16 12 0.0174 0.39 4 10.4 0.30 0 1.0359 4.62 10 4.18 14 0.0177 0.39 5 10.6 0.30 0 1.0027 4.48 11 4.18 9 0.0167 0.39 5 11.6 0.30 1 1.0901 5.73 12 4.21 12 0.0170 0.40 6 10.5 0.29 1 1.0221 6.53 13 4.31 10 0.0174 0.34 5 11.8 0.30 1 1.0735 5.43 14 4.32 6 0.0156 0.30 8 11.3 0.30 1 1.1993 6.46 15 4.36 13 0.0170 0.39 5 12.2 0.30 1 1.1229 5.17 16 4.46 13 0.0173 0.47 5 11.8 0.30 0 1.0719 4.77 17 4.48 6 0.0158 0.32 5 13.0 0.35 0 1.0658 4.61 18 4.49 9 0.0164 0.39 6 11.9 0.30 1 1.1020 5.17 19 4.49 13 0.0179 0.41 5 11.9 0.29 2 1.1378 7.33 20 4.52 12 0.0177 0.40 6 11.0 0.30 1 0.9880 5.18 Ave 4.14 10 0.0164 0.37 6 11.2 0.30 1 1.0302 5.31 +/- 0.32 3 0.0011 0.05 1 0.7 0.01 1 0.0913 0.92 Min 3.40 6 0.0133 0.25 4 9.9 0.29 0 0.8235 3.90 Max 4.52 14 0.0179 0.47 9 13.0 0.35 2 1.1993 7.33 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 6 0.07 0.26 ++ * + + + peak 3088 Upper QD2 LEU 17 - HA3 GLY 78 3.97 6 0.10 0.39 +* + + + + peak 527 Upper H ILE 42 - QG2 ILE 42 3.61 13 0.20 0.27 ++ ++++++ + + *++ peak 55 Upper QG2 ILE 42 - H LYS 74 4.47 9 0.19 0.25 *++ + +++ + + peak 2011 Upper HG2 MET 77 - H GLY 78 4.92 6 0.11 0.26 +* ++ + + peak 4697 Upper HG3 MET 77 - H GLY 78 4.92 7 0.11 0.33 * + + + ++ + peak 4696 Upper QQG VAL 79 - H LEU 87 4.21 8 0.18 0.30 + ++ * ++ + + peak 2965 Upper H GLU 85 - HG3 GLU 85 3.96 7 0.14 0.40 + +++ * + + peak 466 Upper H THR 99 - HB THR 99 3.20 7 0.11 0.33 + * ++ ++ + peak 2201 Upper QQG VAL 103 - H SER 108 4.06 18 0.27 0.39 +++++++ ++++++++ *++ peak 609 Upper HB2 GLU 109 - H LYS 110 3.64 12 0.21 0.27 + + + ++++ ++ ++* peak 2031 Upper HG3 MET 111 - H ALA 112 4.56 13 0.21 0.23 + +++ ++++ ++ *+ + peak 28 Upper QG2 ILE 144 - HA LYS 148 3.77 6 0.11 0.27 + + *++ + peak 1121 Upper H VAL 168 - H LEU 169 3.97 7 0.14 0.36 + + + * + + + peak 1899 VdW HA ASP 28 - CD PRO 29 2.60 20 0.25 0.29 +*++++++++++++++++++ VdW CG2 ILE 32 - C ILE 32 2.90 14 0.21 0.24 + ++++ ++*++ ++++ VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++++++++*+++++ VdW CG1 VAL 75 - C VAL 75 2.90 8 0.15 0.28 ++ ++ +* + + VdW CG GLU 85 - C GLU 85 2.90 7 0.08 0.23 + +++ * + + VdW O ARG 104 - O ASN 107 2.60 7 0.19 0.35 + + + + *+ + VdW HA ASP 123 - CD PRO 124 2.60 13 0.24 0.30 +++++++ + + +*+ + 14 violated distance constraints. 0 violated angle constraints. RMSDs for residues 16..55, 59..126: Average backbone RMSD to mean : 0.44 +/- 0.11 A (0.28..0.63 A; 20 structures) Average heavy atom RMSD to mean : 0.94 +/- 0.09 A (0.75..1.07 A; 20 structures)