Structural statistics: str target upper limits lower limits van der Waals torsion angles function # rms max # rms max # sum max # rms max 1 1.56 2 0.0034 0.18 0 0.0000 0.00 4 7.8 0.27 0 0.4904 3.43 2 1.74 4 0.0045 0.17 0 0.0015 0.01 5 8.4 0.27 0 0.5536 4.01 3 1.76 7 0.0060 0.25 0 0.0005 0.00 3 7.8 0.27 0 0.4632 3.14 4 2.00 9 0.0059 0.33 0 0.0011 0.01 4 8.7 0.27 0 0.5871 4.15 5 2.07 12 0.0069 0.21 0 0.0002 0.00 4 8.9 0.27 0 0.5501 3.09 6 2.12 11 0.0078 0.43 0 0.0006 0.01 6 8.1 0.27 0 0.3902 3.36 7 2.31 18 0.0085 0.34 0 0.0053 0.05 3 9.1 0.27 0 0.5296 3.29 8 2.34 10 0.0084 0.40 0 0.0001 0.00 3 8.8 0.27 0 0.3829 2.90 9 2.35 8 0.0064 0.28 0 0.0028 0.02 4 9.7 0.27 0 0.7873 4.51 10 2.40 8 0.0074 0.34 0 0.0044 0.03 4 9.4 0.27 0 0.7804 4.34 11 2.44 13 0.0082 0.46 0 0.0022 0.01 6 10.0 0.27 0 0.5149 3.12 12 2.47 12 0.0093 0.40 0 0.0018 0.02 5 9.4 0.27 0 0.5805 3.76 13 2.53 16 0.0094 0.45 0 0.0004 0.00 4 9.5 0.27 0 0.5933 3.37 14 2.53 7 0.0079 0.43 0 0.0051 0.04 4 10.2 0.27 0 0.6546 4.28 15 2.55 16 0.0079 0.24 0 0.0040 0.03 4 10.0 0.29 0 0.5906 3.67 16 2.59 10 0.0086 0.36 0 0.0027 0.02 7 9.1 0.27 0 0.6095 3.54 17 2.60 15 0.0076 0.24 0 0.0051 0.04 5 10.9 0.27 0 0.5815 3.03 18 2.78 11 0.0097 0.62 0 0.0042 0.04 4 9.3 0.28 0 0.4702 3.47 19 2.83 12 0.0102 0.66 0 0.0000 0.00 5 9.5 0.27 0 0.5754 3.26 20 3.02 11 0.0100 0.51 0 0.0005 0.00 7 8.8 0.37 0 0.4659 3.60 Ave 2.35 11 0.0077 0.36 0 0.0021 0.02 5 9.2 0.28 0 0.5576 3.57 +/- 0.37 4 0.0017 0.13 0 0.0019 0.02 1 0.8 0.02 0 0.1024 0.46 Min 1.56 2 0.0034 0.17 0 0.0000 0.00 3 7.8 0.27 0 0.3829 2.90 Max 3.02 18 0.0102 0.66 0 0.0053 0.05 7 10.9 0.37 0 0.7873 4.51 Cut 0.10 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 45 - HG3 ARG 49 6.04 17 0.15 0.20 ++++++++ ++* ++++++ peak 10228 Upper QE PHE 45 - HA TYR 117 6.80 8 0.09 0.14 +* + ++ ++ + peak 10722 Upper HB3 GLU 75 - HG3 GLU 75 2.81 7 0.05 0.16 * +++ +++ peak 2234 Upper QG2 ILE 136 - HD3 ARG 140 3.63 6 0.05 0.21 + + ++*+ peak 10334 Upper HA ASP 137 - HB2 ARG 140 3.60 6 0.07 0.36 + + +*++ peak 4649 Upper HB2 ASP 137 - HB2 ARG 140 5.80 6 0.06 0.34 + + +*++ peak 9709 VdW CG ARG 49 - C ARG 49 2.90 6 0.17 0.21 * + ++ + + VdW HA ILE 56 - CD PRO 57 2.60 20 0.27 0.28 +++++++++++++++++++* VdW HG3 GLU 75 - C GLU 75 2.50 7 0.11 0.29 + +++ *++ 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 0.23 ++*+++++++++++++++++ 6 violated distance restraints. 5 violated van der Waals restraints. 0 violated angle restraints. RMSDs for residues 25..141: Average backbone RMSD to mean : 0.27 +/- 0.04 A (0.18..0.34 A; 20 structures) Average heavy atom RMSD to mean : 0.68 +/- 0.04 A (0.60..0.73 A; 20 structures)