Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.79 0 0.0062 0.16 0 9.5 0.14 0 0.3210 2.07 2 2.13 0 0.0068 0.18 0 8.4 0.17 0 0.2626 1.55 3 2.26 0 0.0064 0.17 0 8.3 0.14 0 0.3578 2.93 4 2.37 2 0.0072 0.20 2 9.2 0.24 0 0.4001 2.77 5 2.51 0 0.0065 0.15 2 9.5 0.22 0 0.3559 2.35 6 2.68 2 0.0061 0.21 2 9.4 0.24 0 0.3321 1.88 7 2.73 0 0.0069 0.20 4 10.0 0.28 0 0.3092 2.06 8 2.79 0 0.0069 0.19 4 10.2 0.28 0 0.3666 2.37 9 2.82 0 0.0062 0.14 1 9.6 0.23 0 0.4560 2.88 10 2.85 0 0.0071 0.17 2 10.6 0.22 0 0.4990 2.65 11 2.92 4 0.0078 0.22 0 10.2 0.19 0 0.3743 2.83 12 2.94 0 0.0065 0.17 2 9.5 0.25 0 0.3677 1.95 13 2.99 0 0.0075 0.19 2 12.1 0.23 0 0.3953 1.94 14 3.02 2 0.0066 0.24 2 10.6 0.22 0 0.3913 1.89 15 3.02 0 0.0069 0.20 3 10.1 0.25 0 0.3721 2.01 16 3.05 1 0.0064 0.32 0 8.2 0.14 0 0.3021 1.63 17 3.06 0 0.0070 0.20 0 9.6 0.18 0 0.4137 2.95 18 3.06 0 0.0074 0.16 2 10.6 0.28 0 0.4042 2.40 19 3.11 0 0.0072 0.20 4 10.5 0.23 0 0.3062 1.48 20 3.15 1 0.0077 0.21 0 9.5 0.18 0 0.3933 2.74 Ave 2.76 1 0.0069 0.19 2 9.8 0.22 0 0.3690 2.27 +/- 0.36 1 0.0005 0.04 1 0.9 0.04 0 0.0537 0.47 Min 1.79 0 0.0061 0.14 0 8.2 0.14 0 0.2626 1.48 Max 3.15 4 0.0078 0.32 4 12.1 0.28 0 0.4990 2.95 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW CG HIS 51 - C HIS 51 2.90 9 0.17 0.25 ++++++ + * + VdW CG HIS 351 - C HIS 351 2.90 8 0.16 0.25 ++++ + + * + 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.35 +/- 0.08 A (0.20..0.50 A; 20 structures) Average heavy atom RMSD to mean : 0.78 +/- 0.05 A (0.70..0.87 A; 20 structures)