Structural statistics: str target upper limits lower limits van der Waals torsion angles function # rms max # rms max # sum max # rms max 1 1.67 3 0.0030 0.19 0 0.0001 0.00 4 7.8 0.27 0 0.4224 3.22 2 1.74 2 0.0046 0.48 0 0.0000 0.00 4 7.1 0.27 0 0.5410 4.06 3 1.85 7 0.0053 0.36 0 0.0001 0.00 3 7.7 0.27 0 0.4894 3.51 4 1.93 5 0.0059 0.39 0 0.0013 0.01 3 7.7 0.27 0 0.4508 3.46 5 1.96 9 0.0054 0.34 0 0.0000 0.00 3 8.4 0.27 0 0.6511 4.49 6 1.96 6 0.0053 0.34 0 0.0008 0.01 4 8.1 0.27 0 0.4769 3.65 7 1.96 6 0.0064 0.52 0 0.0004 0.00 3 7.5 0.27 0 0.4661 3.42 8 1.98 9 0.0052 0.25 0 0.0020 0.02 3 8.6 0.27 0 0.4935 3.94 9 2.10 9 0.0071 0.57 0 0.0013 0.01 3 7.7 0.27 0 0.4943 3.35 10 2.16 9 0.0073 0.59 0 0.0001 0.00 3 7.0 0.27 0 0.4902 3.11 11 2.25 5 0.0053 0.36 0 0.0001 0.00 4 8.9 0.27 0 0.7527 4.86 12 2.54 8 0.0079 0.56 0 0.0005 0.00 5 8.4 0.27 0 0.5645 3.61 13 2.55 10 0.0074 0.56 0 0.0010 0.01 5 9.1 0.28 0 0.5021 3.13 14 2.66 12 0.0076 0.50 0 0.0010 0.01 3 9.1 0.27 0 0.7495 4.03 15 2.71 10 0.0062 0.43 0 0.0011 0.01 6 10.0 0.40 0 0.4715 3.18 16 2.72 9 0.0077 0.57 0 0.0008 0.01 4 9.5 0.27 0 0.6402 4.40 17 2.74 12 0.0071 0.46 0 0.0000 0.00 4 10.5 0.27 0 0.6790 4.27 18 2.75 11 0.0080 0.56 0 0.0003 0.00 5 8.4 0.32 0 0.4169 3.37 19 2.88 8 0.0079 0.60 0 0.0021 0.02 5 9.0 0.36 0 0.5101 3.38 20 2.89 11 0.0105 0.76 0 0.0014 0.01 3 6.7 0.27 0 0.4654 3.63 Ave 2.30 8 0.0066 0.47 0 0.0007 0.01 4 8.4 0.29 0 0.5364 3.70 +/- 0.40 3 0.0016 0.13 0 0.0006 0.01 1 1.0 0.03 0 0.0999 0.49 Min 1.67 2 0.0030 0.19 0 0.0000 0.00 3 6.7 0.27 0 0.4169 3.11 Max 2.89 12 0.0105 0.76 0 0.0021 0.02 6 10.5 0.40 0 0.7527 4.86 Cut 0.10 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 49 - HG3 ARG 49 3.87 12 0.09 0.16 + ++ * ++ ++ + +++ peak 6458 Upper QG2 ILE 58 - HD2 LYS 61 4.01 6 0.09 0.43 + + + +* + peak 9863 QG2 ILE 58 - HD3 LYS 61 Upper HA ALA 60 - HG2 LYS 61 4.24 6 0.06 0.38 + + + ++ * peak 8334 Upper HA GLU 142 - H GLY 143 2.91 6 0.04 0.17 +++++ * peak 7865 Upper HB3 GLU 142 - H GLY 143 4.01 6 0.07 0.26 *++++ + peak 7867 Upper HA ARG 144 - HG2 ARG 144 2.92 6 0.11 0.48 *+ ++ + + peak 4879 HA ARG 144 - HG3 ARG 144 VdW HA ILE 56 - CD PRO 57 2.60 20 0.27 0.28 ++++++++++++*+++++++ VdW N TYR 117 - HD2 PRO 118 2.45 20 0.26 0.26 ++++++++++*+++++++++ VdW CB TYR 117 - CD PRO 118 3.20 20 0.22 0.22 ++*+++++++++++++++++ 6 violated distance restraints. 3 violated van der Waals restraints. 0 violated angle restraints. RMSDs for residues 25..141: Average backbone RMSD to mean : 0.26 +/- 0.04 A (0.19..0.35 A; 20 structures) Average heavy atom RMSD to mean : 0.68 +/- 0.06 A (0.59..0.84 A; 20 structures)