Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.59 9 0.0114 0.24 4 6.7 0.25 0 0.6852 4.50 2 1.72 4 0.0093 0.22 6 6.5 0.30 0 0.4757 2.39 3 1.81 8 0.0116 0.25 5 6.9 0.27 0 0.4161 1.97 4 2.13 3 0.0094 0.26 8 8.1 0.28 0 0.6371 3.04 5 2.28 4 0.0100 0.25 7 9.4 0.29 0 0.8159 3.85 6 2.29 5 0.0112 0.26 7 8.4 0.33 0 0.6613 4.27 7 2.33 12 0.0147 0.38 5 8.0 0.30 0 0.7257 4.73 8 2.39 9 0.0116 0.25 7 8.7 0.27 0 0.6791 4.27 9 2.43 9 0.0131 0.39 7 7.9 0.29 3 1.0008 7.94 10 2.91 13 0.0151 0.31 7 9.6 0.32 0 0.8411 4.72 11 2.99 14 0.0190 0.43 6 8.8 0.32 0 0.8228 4.21 12 3.08 7 0.0128 0.33 8 11.1 0.30 0 0.6248 2.92 13 3.20 13 0.0142 0.28 8 11.1 0.32 3 1.0747 5.96 14 3.36 17 0.0164 0.32 7 9.4 0.25 3 1.6681 17.43 15 3.37 18 0.0217 0.76 4 9.4 0.24 5 1.5207 11.34 16 3.40 13 0.0172 0.39 6 10.6 0.33 3 1.3761 6.40 17 3.44 16 0.0220 0.56 6 9.4 0.30 2 1.0770 5.62 18 3.48 12 0.0195 0.66 7 10.0 0.30 3 1.2599 10.76 19 3.64 10 0.0151 0.34 12 12.7 0.32 1 1.0815 5.28 20 4.07 21 0.0237 0.55 6 11.0 0.28 2 1.0220 5.33 Ave 2.80 11 0.0150 0.37 7 9.2 0.29 1 0.9233 5.85 +/- 0.69 5 0.0042 0.15 2 1.6 0.03 2 0.3315 3.56 Min 1.59 3 0.0093 0.22 4 6.5 0.24 0 0.4161 1.97 Max 4.07 21 0.0237 0.76 12 12.7 0.33 5 1.6681 17.43 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H VAL 31 - HG12 ILE 32 5.50 6 0.08 0.23 + + *+ ++ peak 1441 Upper HB ILE 32 - H LEU 36 5.50 8 0.09 0.28 + ++ +*+ ++ peak 175 Upper HG12 ILE 32 - QD2 LEU 36 4.02 7 0.10 0.33 ++ + * ++ + peak 176 Upper HG LEU 47 - H PHE 50 5.09 14 0.10 0.19 +++ ++++*+ ++ +++ peak 1734 Upper H VAL 103 - HD3 ARG 104 5.50 7 0.08 0.21 + + ++* + + peak 1973 Upper H ARG 104 - HG2 ARG 104 4.26 11 0.12 0.22 * + ++ ++ ++++ + peak 7 Upper HG2 ARG 104 - H ASP 106 4.08 8 0.14 0.43 + + ++* + + + peak 454 Upper HA ARG 137 - QD1 LEU 138 5.50 7 0.09 0.34 + ++ + ++ * peak 1001 VdW HA THR 39 - CD PRO 40 2.60 20 0.27 0.30 +++++++++++*++++++++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 20 0.25 0.25 +++++++++++++++*++++ VdW CG1 VAL 64 - C VAL 64 2.90 6 0.10 0.33 * + + ++ + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.24 0.25 ++++++++++*+++++++++ VdW HA ARG 104 - CD ARG 104 2.60 6 0.07 0.23 + + +* + + 8 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.52 +/- 2.17 A (4.06..11.09 A) Average heavy atom RMSD to mean : 7.05 +/- 2.22 A (4.59..11.80 A)