Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.85 2 0.0104 0.28 0 8.3 0.17 0 0.3748 2.13 2 3.15 2 0.0108 0.39 1 9.0 0.22 0 0.3820 2.34 3 3.27 2 0.0101 0.27 1 9.3 0.22 0 0.4131 2.62 4 3.28 1 0.0104 0.21 2 9.1 0.29 0 0.3230 1.90 5 3.32 6 0.0119 0.32 1 9.3 0.23 0 0.4320 2.54 6 3.36 3 0.0107 0.27 2 8.7 0.25 1 0.6413 6.92 7 3.52 6 0.0118 0.33 3 9.2 0.22 0 0.4562 3.98 8 3.59 3 0.0103 0.23 3 9.4 0.24 0 0.3799 2.59 9 3.62 2 0.0098 0.22 0 8.6 0.18 0 0.4850 4.80 10 3.67 2 0.0108 0.32 3 9.1 0.29 0 0.3567 2.35 11 3.73 4 0.0114 0.32 3 9.6 0.23 0 0.4615 2.83 12 3.84 1 0.0095 0.22 3 9.7 0.29 0 0.3367 2.06 13 3.84 3 0.0110 0.23 3 10.0 0.29 0 0.3935 2.88 14 3.99 2 0.0110 0.28 0 10.5 0.17 0 0.4087 2.54 15 4.02 3 0.0115 0.27 2 9.9 0.29 0 0.4483 2.44 16 4.06 2 0.0125 0.51 2 9.3 0.24 1 0.6546 5.27 17 4.12 6 0.0118 0.42 1 8.5 0.22 0 0.5147 3.60 18 4.15 9 0.0139 0.34 3 10.6 0.25 0 0.5601 3.45 19 4.17 2 0.0115 0.23 0 9.6 0.17 0 0.4325 2.61 20 4.19 3 0.0117 0.36 3 9.6 0.28 0 0.5219 4.53 Ave 3.69 3 0.0111 0.30 2 9.4 0.24 0 0.4488 3.22 +/- 0.38 2 0.0010 0.08 1 0.6 0.04 0 0.0897 1.26 Min 2.85 1 0.0095 0.21 0 8.3 0.17 0 0.3230 1.90 Max 4.19 9 0.0139 0.51 3 10.6 0.29 1 0.6546 6.92 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 44 - HD2 ARG 44 5.50 7 0.15 0.32 + + + +* + + peak 4152 Upper HA GLN 71 - HE22 GLN 71 5.50 6 0.11 0.26 + ++ ++ * peak 1377 Upper HA LEU 84 - QD1 LEU 87 4.63 6 0.16 0.27 + +*+ + + peak 3123 VdW CG HIS 51 - C HIS 51 2.90 11 0.18 0.24 ++++ ++ + *++ + 3 violated distance constraints. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.14 A (0.24..0.81 A; 20 structures) Average heavy atom RMSD to mean : 0.82 +/- 0.09 A (0.69..1.05 A; 20 structures)