Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.30 5 0.0116 0.39 1 7.1 0.20 0 0.5210 4.09 2 2.58 5 0.0106 0.29 1 7.5 0.20 0 0.4954 3.67 3 2.59 4 0.0117 0.36 0 8.0 0.17 0 0.5874 3.38 4 2.66 5 0.0113 0.32 1 7.5 0.23 0 0.5214 3.23 5 2.69 6 0.0115 0.39 0 7.6 0.20 0 0.5822 4.70 6 2.73 4 0.0107 0.26 0 9.0 0.20 0 0.5566 3.49 7 2.96 5 0.0115 0.40 2 9.0 0.24 0 0.5850 4.16 8 3.17 6 0.0116 0.27 1 8.9 0.21 0 0.5775 3.22 9 3.31 6 0.0128 0.42 1 8.5 0.21 0 0.5083 3.03 10 3.33 7 0.0130 0.38 1 9.7 0.22 1 0.5981 5.06 11 3.36 5 0.0108 0.28 2 8.3 0.24 0 0.5707 3.92 12 3.39 4 0.0111 0.29 1 8.5 0.20 0 0.4847 3.36 13 3.39 10 0.0130 0.40 0 9.5 0.20 0 0.5777 4.29 14 3.44 6 0.0127 0.40 1 8.3 0.23 0 0.6755 4.40 15 3.46 8 0.0124 0.31 2 9.6 0.24 0 0.5406 3.78 16 3.67 6 0.0129 0.66 1 8.3 0.21 0 0.5950 4.42 17 3.74 6 0.0135 0.39 1 10.8 0.24 0 0.5335 3.76 18 3.76 7 0.0129 0.39 2 10.1 0.23 0 0.6546 4.29 19 3.81 8 0.0129 0.39 1 10.4 0.20 0 0.5554 3.47 20 3.91 5 0.0110 0.25 2 9.5 0.28 0 0.5820 3.70 Ave 3.21 6 0.0120 0.36 1 8.8 0.22 0 0.5651 3.87 +/- 0.47 1 0.0009 0.09 1 1.0 0.02 0 0.0470 0.53 Min 2.30 4 0.0106 0.25 0 7.1 0.17 0 0.4847 3.03 Max 3.91 10 0.0135 0.66 2 10.8 0.28 1 0.6755 5.06 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 - H ARG 70 5.20 9 0.20 0.26 + ++ ++ +* ++ peak 97 Upper QE TYR 52 - QB ALA 395 4.70 19 0.25 0.28 ++++++++*++ ++++++++ peak 234 Upper H GLN 59 - HG LEU 62 5.50 7 0.18 0.26 * + + ++ + + peak 839 Upper H LEU 62 - HG LEU 62 3.53 15 0.26 0.40 +++++++ ++++*+ ++ peak 884 Upper H LEU 96 - HA GLN 101 5.44 13 0.21 0.24 ++ *++ + +++ ++ ++ peak 462 Upper HA LEU 122 - QD1 LEU 122 3.23 15 0.21 0.36 ++*++ ++ ++ ++++++ peak 565 VdW CA LEU 122 - CD2 LEU 122 3.00 13 0.20 0.23 ++ ++++++ * + +++ 6 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.11 A (0.23..0.58 A; 20 structures) Average heavy atom RMSD to mean : 0.88 +/- 0.09 A (0.71..1.07 A; 20 structures)