Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.01 7 0.0128 0.40 1 9.3 0.20 0 0.5808 4.82 2 3.12 9 0.0133 0.39 1 8.2 0.21 0 0.5307 2.69 3 3.34 5 0.0118 0.36 0 8.6 0.19 0 0.5867 3.23 4 3.39 7 0.0130 0.37 0 10.0 0.20 0 0.6131 3.16 5 3.45 7 0.0131 0.30 1 10.1 0.20 0 0.5587 3.08 6 3.53 4 0.0104 0.25 1 9.1 0.22 0 0.6117 3.16 7 3.62 9 0.0143 0.43 2 10.2 0.23 1 0.6816 5.62 8 3.65 6 0.0131 0.38 3 10.0 0.25 0 0.6240 3.06 9 3.75 8 0.0126 0.27 1 10.4 0.21 0 0.6136 3.06 10 3.78 8 0.0133 0.37 1 8.8 0.23 0 0.6278 3.80 11 3.78 8 0.0136 0.40 0 9.6 0.17 0 0.5797 3.21 12 3.79 6 0.0141 0.68 3 10.0 0.22 0 0.5688 4.05 13 3.86 6 0.0128 0.41 1 8.7 0.23 0 0.5815 4.05 14 3.91 9 0.0163 0.69 1 10.4 0.22 1 0.6230 5.21 15 3.92 6 0.0130 0.37 1 10.4 0.22 0 0.5705 3.12 16 3.94 7 0.0128 0.39 2 10.8 0.21 0 0.6139 2.82 17 3.99 10 0.0142 0.38 2 12.4 0.24 0 0.6954 4.27 18 4.00 7 0.0128 0.37 3 10.6 0.25 0 0.5674 3.48 19 4.03 8 0.0133 0.37 1 9.8 0.20 0 0.5311 3.06 20 4.04 8 0.0143 0.44 0 9.8 0.16 0 0.7316 4.90 Ave 3.70 7 0.0132 0.40 1 9.9 0.21 0 0.6046 3.69 +/- 0.29 1 0.0011 0.11 1 0.9 0.02 0 0.0503 0.84 Min 3.01 4 0.0104 0.25 0 8.2 0.16 0 0.5307 2.69 Max 4.04 10 0.0163 0.69 3 12.4 0.25 1 0.7316 5.62 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 12 0.21 0.30 + *+ ++ +++++++ peak 97 Upper QE TYR 52 - QB ALA 395 4.70 20 0.25 0.29 +*++++++++++++++++++ peak 234 Upper H GLN 59 - HG LEU 62 5.50 7 0.16 0.32 + * + ++ + + peak 839 Upper H LEU 62 - HG LEU 62 3.53 19 0.29 0.43 ++++++*++++ ++++++++ peak 884 Upper H LEU 96 - HA GLN 101 5.44 14 0.21 0.25 *+ ++++ +++++ +++ peak 462 Upper H VAL 104 - HB VAL 104 3.22 9 0.17 0.39 + + + * ++ +++ peak 728 Upper HA LEU 122 - QD1 LEU 122 3.23 11 0.20 0.69 + +++ + ++ * + ++ peak 565 VdW CA LEU 122 - CD2 LEU 122 3.00 14 0.16 0.24 ++ +++++ ++ ++*++ 7 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.47 +/- 0.19 A (0.23..0.96 A; 20 structures) Average heavy atom RMSD to mean : 0.92 +/- 0.15 A (0.76..1.32 A; 20 structures)