Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 0.70 4 0.0076 0.25 0 3.6 0.19 0 0.5820 4.48 2 0.77 2 0.0074 0.24 0 4.0 0.18 0 0.2547 1.44 3 0.83 4 0.0070 0.20 0 4.3 0.18 0 0.2956 1.80 4 0.85 6 0.0080 0.14 1 4.1 0.27 0 0.4639 2.43 5 0.98 4 0.0074 0.23 1 4.6 0.32 0 0.4839 3.81 6 1.05 7 0.0092 0.18 2 4.5 0.27 0 0.4583 2.71 7 1.10 3 0.0070 0.23 2 4.4 0.31 0 0.2510 1.36 8 1.11 13 0.0127 0.22 0 4.9 0.19 0 0.5077 2.65 9 1.13 6 0.0113 0.31 1 4.9 0.21 0 0.3220 2.29 10 1.13 11 0.0113 0.22 0 5.1 0.20 0 0.4904 3.72 11 1.27 9 0.0123 0.30 2 4.9 0.29 0 0.3601 1.77 12 1.34 11 0.0129 0.43 1 4.9 0.27 0 0.4546 2.51 13 1.34 6 0.0119 0.36 3 5.2 0.29 0 0.3958 2.64 14 1.37 7 0.0112 0.28 3 5.7 0.29 0 0.4915 2.59 15 1.37 8 0.0151 0.42 1 4.7 0.21 0 0.3785 1.74 16 1.38 5 0.0129 0.42 2 5.1 0.27 0 0.5786 4.43 17 1.41 7 0.0117 0.43 4 5.3 0.28 0 0.2645 1.66 18 1.42 9 0.0126 0.29 2 5.3 0.27 0 0.3510 2.44 19 1.42 5 0.0088 0.19 4 5.7 0.32 0 0.3317 1.65 20 1.48 14 0.0120 0.23 1 6.5 0.27 0 0.4778 2.16 Ave 1.17 7 0.0105 0.28 2 4.9 0.25 0 0.4097 2.51 +/- 0.24 3 0.0024 0.09 1 0.6 0.05 0 0.1006 0.91 Min 0.70 2 0.0070 0.14 0 3.6 0.18 0 0.2510 1.36 Max 1.48 14 0.0151 0.43 4 6.5 0.32 0 0.5820 4.48 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ASN 65 - HB3 LYS 67 5.50 7 0.07 0.11 + + *++ ++ peak 1512 Upper HB2 HIS 269 - H ARG 271 5.50 6 0.05 0.15 + * + + + + peak 1947 VdW HA ASP 242 - CD PRO 243 2.60 7 0.21 0.27 + *++ + + + 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 50..78: Average backbone RMSD to mean : 0.78 +/- 0.33 A (0.34..1.67 A) Average heavy atom RMSD to mean : 1.33 +/- 0.36 A (0.93..2.25 A)