Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.21 0 0.0056 0.19 0 6.1 0.16 0 0.2836 2.04 2 1.25 1 0.0060 0.22 1 4.8 0.22 0 0.2380 1.89 3 1.41 0 0.0052 0.14 1 5.3 0.20 0 0.2980 2.89 4 1.42 0 0.0054 0.16 1 5.9 0.21 0 0.3124 2.47 5 1.56 0 0.0056 0.15 0 5.3 0.17 0 0.2743 1.85 6 1.58 0 0.0060 0.14 2 6.3 0.29 0 0.3065 2.68 7 1.62 1 0.0066 0.20 0 5.9 0.19 0 0.3028 2.73 8 1.67 2 0.0081 0.32 0 6.0 0.12 0 0.4263 3.33 9 1.75 0 0.0052 0.14 1 6.1 0.22 0 0.3136 2.28 10 1.76 0 0.0063 0.17 2 6.2 0.29 0 0.2702 2.58 11 1.77 2 0.0093 0.39 0 6.5 0.20 0 0.4144 2.84 12 1.83 1 0.0065 0.22 1 6.1 0.20 0 0.3007 2.87 13 1.85 0 0.0060 0.16 0 5.0 0.16 0 0.3210 3.08 14 1.85 0 0.0070 0.20 2 6.9 0.29 0 0.3292 2.67 15 1.86 1 0.0079 0.37 1 5.3 0.20 0 0.3273 2.81 16 1.88 0 0.0070 0.19 2 6.5 0.29 0 0.3223 2.24 17 1.89 1 0.0077 0.30 1 7.0 0.22 0 0.3595 2.24 18 1.96 0 0.0054 0.19 3 6.6 0.29 0 0.3349 2.25 19 1.96 2 0.0086 0.42 1 7.5 0.20 0 0.3531 2.18 20 2.01 0 0.0058 0.15 0 6.0 0.17 0 0.3956 2.99 Ave 1.71 1 0.0066 0.22 1 6.1 0.21 0 0.3242 2.55 +/- 0.23 1 0.0012 0.09 1 0.7 0.05 0 0.0462 0.40 Min 1.21 0 0.0052 0.14 0 4.8 0.12 0 0.2380 1.85 Max 2.01 2 0.0093 0.42 3 7.5 0.29 0 0.4263 3.33 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 0.16 0.25 +++ + + + +*+ 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.46 +/- 0.13 A (0.25..0.74 A; 20 structures) Average heavy atom RMSD to mean : 0.88 +/- 0.08 A (0.77..1.04 A; 20 structures)