Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.16 0 0.0056 0.15 1 5.6 0.22 0 0.3254 3.43 2 1.21 0 0.0053 0.19 0 5.7 0.17 0 0.3007 2.75 3 1.40 0 0.0053 0.18 0 5.7 0.19 0 0.3297 2.23 4 1.42 1 0.0067 0.27 0 6.2 0.17 0 0.3247 2.19 5 1.47 0 0.0058 0.19 0 5.2 0.17 0 0.3003 2.79 6 1.49 1 0.0054 0.22 0 5.5 0.14 0 0.2333 1.56 7 1.57 0 0.0059 0.16 1 6.3 0.25 0 0.3466 3.32 8 1.69 0 0.0051 0.16 1 5.8 0.21 0 0.2724 1.83 9 1.72 2 0.0085 0.43 0 5.3 0.14 0 0.4097 3.94 10 1.74 0 0.0064 0.19 1 6.4 0.25 0 0.2803 1.85 11 1.75 1 0.0067 0.23 0 5.8 0.17 0 0.3200 2.95 12 1.76 0 0.0057 0.15 2 7.0 0.29 0 0.3062 2.59 13 1.88 0 0.0053 0.19 0 5.3 0.15 0 0.2988 1.84 14 1.93 2 0.0077 0.31 0 6.9 0.15 0 0.2795 1.69 15 1.95 0 0.0051 0.15 2 6.0 0.24 0 0.2636 1.82 16 1.97 0 0.0067 0.15 3 7.0 0.29 0 0.3467 2.44 17 1.97 3 0.0077 0.32 1 6.4 0.21 0 0.2798 1.56 18 1.99 3 0.0083 0.31 3 7.1 0.29 0 0.3227 2.29 19 2.03 0 0.0062 0.19 3 6.6 0.30 0 0.3136 2.47 20 2.07 0 0.0062 0.20 3 6.8 0.29 0 0.2090 1.77 Ave 1.71 1 0.0063 0.22 1 6.1 0.21 0 0.3031 2.37 +/- 0.27 1 0.0010 0.07 1 0.6 0.05 0 0.0421 0.65 Min 1.16 0 0.0051 0.15 0 5.2 0.14 0 0.2090 1.56 Max 2.07 3 0.0085 0.43 3 7.1 0.30 0 0.4097 3.94 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 10 0.18 0.25 + *+ + ++++++ 0 violated distance constraints. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.50 +/- 0.15 A (0.26..0.76 A; 20 structures) Average heavy atom RMSD to mean : 0.91 +/- 0.09 A (0.73..1.09 A; 20 structures)