Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.34 4 0.0075 0.51 1 5.6 0.21 0 0.7403 4.20 2 1.54 2 0.0074 0.50 3 6.0 0.29 0 0.7873 4.38 3 1.72 4 0.0082 0.50 3 6.3 0.30 0 0.7687 4.26 4 1.72 6 0.0097 0.50 1 6.6 0.23 0 0.7649 4.02 5 1.75 5 0.0092 0.51 4 5.3 0.29 1 0.7379 6.07 6 1.75 9 0.0088 0.50 2 6.5 0.22 3 1.0365 7.90 7 1.82 11 0.0109 0.50 0 6.5 0.19 0 0.7935 4.22 8 1.88 5 0.0078 0.50 4 6.9 0.30 1 0.7786 5.98 9 1.89 8 0.0098 0.51 1 6.4 0.24 3 1.0028 6.26 10 1.91 6 0.0093 0.51 4 6.4 0.27 0 0.7923 4.27 11 1.99 8 0.0090 0.53 1 7.7 0.25 2 0.9079 5.41 12 2.01 7 0.0106 0.50 1 6.5 0.30 1 0.9848 6.75 13 2.02 4 0.0082 0.50 3 7.8 0.29 2 0.9637 5.17 14 2.10 10 0.0097 0.51 3 7.9 0.29 0 0.8596 3.99 15 2.18 5 0.0087 0.50 6 7.8 0.25 3 0.9706 5.45 16 2.26 6 0.0089 0.51 5 8.1 0.29 0 0.8674 4.97 17 2.27 7 0.0093 0.49 4 8.0 0.30 0 0.8646 4.44 18 2.32 6 0.0100 0.50 4 7.8 0.28 1 0.9848 6.98 19 2.35 11 0.0111 0.51 4 7.5 0.24 1 0.8742 5.83 20 2.37 8 0.0100 0.50 4 7.9 0.30 0 0.8127 4.65 Ave 1.96 7 0.0092 0.51 3 7.0 0.27 1 0.8647 5.26 +/- 0.27 2 0.0010 0.01 2 0.9 0.03 1 0.0942 1.09 Min 1.34 2 0.0074 0.49 0 5.3 0.19 0 0.7379 3.99 Max 2.37 11 0.0111 0.53 6 8.1 0.30 3 1.0365 7.90 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 15 - QD1 LEU 15 3.00 7 0.09 0.28 + + + + * ++ peak 1380 Upper HA LEU 15 - QD2 LEU 15 3.00 7 0.09 0.28 * + + + + ++ peak 50 Upper HA ILE 42 - QQG VAL 75 4.05 7 0.07 0.17 + ++ + + + * peak 2793 Upper QG1 VAL 43 - HB VAL 75 3.78 6 0.05 0.19 + + + +* + peak 4048 Upper H ALA 112 - HB VAL 113 5.50 20 0.51 0.53 ++++++++++*+++++++++ peak 27 VdW HA ASP 28 - CD PRO 29 2.60 6 0.14 0.23 *+ + + + + VdW O ASN 120 - C LYS 121 2.80 15 0.23 0.30 +++ ++ + + *+ ++++++ VdW HA LYS 156 - CD PRO 157 2.60 6 0.11 0.29 + * + + ++ Angle PSI ASN 120 -9.00 11.00 9 4.19 6.98 ++ ++ ++ + *+ 5 violated distance constraints. 1 violated angle constraint. RMSDs for residues 18..124: Average backbone RMSD to mean : 0.59 +/- 0.08 A (0.43..0.73 A; 20 structures) Average heavy atom RMSD to mean : 1.06 +/- 0.06 A (0.93..1.17 A; 20 structures)