Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.09 2 0.0106 0.27 3 8.9 0.25 0 0.3981 2.69 2 3.23 4 0.0103 0.29 2 9.0 0.22 0 0.3860 2.58 3 3.30 1 0.0103 0.27 2 9.0 0.29 0 0.3946 3.01 4 3.37 7 0.0123 0.40 1 8.9 0.20 0 0.4333 2.91 5 3.39 3 0.0113 0.28 1 9.7 0.20 0 0.3636 2.66 6 3.67 8 0.0123 0.32 2 9.3 0.20 0 0.4046 2.76 7 3.70 5 0.0115 0.28 2 9.7 0.22 0 0.3787 2.18 8 3.98 5 0.0119 0.29 1 9.9 0.20 0 0.4896 3.48 9 4.02 7 0.0126 0.29 2 10.4 0.23 0 0.4313 2.38 10 4.09 5 0.0122 0.29 3 11.0 0.28 0 0.4729 3.29 11 4.17 6 0.0128 0.50 3 8.8 0.29 0 0.5974 3.95 12 4.44 8 0.0138 0.33 2 10.0 0.23 0 0.5195 2.66 13 4.45 5 0.0123 0.53 2 9.2 0.23 0 0.4475 2.95 14 4.54 8 0.0133 0.41 3 11.4 0.25 0 0.4673 2.97 15 4.54 6 0.0128 0.28 3 10.3 0.29 1 0.6038 5.69 16 4.68 6 0.0121 0.30 3 9.8 0.29 0 0.4707 3.07 17 4.69 6 0.0128 0.33 4 11.7 0.28 0 0.4315 2.55 18 4.69 7 0.0137 0.53 2 10.2 0.28 0 0.5116 3.43 19 4.73 6 0.0127 0.33 2 11.0 0.23 0 0.4459 2.65 20 4.74 7 0.0134 0.33 2 10.4 0.23 0 0.5506 3.27 Ave 4.08 6 0.0123 0.34 2 9.9 0.24 0 0.4599 3.06 +/- 0.56 2 0.0010 0.08 1 0.8 0.03 0 0.0672 0.73 Min 3.09 1 0.0103 0.27 1 8.8 0.20 0 0.3636 2.18 Max 4.74 8 0.0138 0.53 4 11.7 0.29 1 0.6038 5.69 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 47 - HG LEU 65 4.18 7 0.19 0.25 + + ++ + + * peak 305 Upper HA LEU 84 - QD1 LEU 87 4.63 6 0.17 0.33 + * + +++ peak 3123 Upper H LEU 87 - HG LEU 87 4.33 20 0.27 0.32 +++++*++++++++++++++ peak 3100 Upper QG PRO 112 - HG LEU 362 4.59 7 0.11 0.32 + + ++ + * + peak 3779 Upper HA LEU 122 - QD1 LEU 122 3.23 13 0.20 0.31 + +++++++ ++ + *+ peak 565 VdW CG HIS 51 - C HIS 51 2.90 6 0.15 0.23 + + + * + + VdW CG1 VAL 104 - C VAL 104 2.90 6 0.18 0.26 + + + + * + VdW HA ARG 108 - CD PRO 109 2.60 7 0.15 0.29 + ++ *+++ VdW CA LEU 122 - CD2 LEU 122 3.00 12 0.16 0.20 + +++*+++ ++ + + VdW HA ARG 408 - CD PRO 409 2.60 7 0.14 0.29 + ++ *+++ 5 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.14 A (0.23..0.75 A; 20 structures) Average heavy atom RMSD to mean : 0.84 +/- 0.09 A (0.69..1.07 A; 20 structures)