Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.10 3 0.0104 0.30 1 8.8 0.22 0 0.3997 2.27 2 3.23 1 0.0101 0.20 0 8.7 0.19 0 0.4637 3.27 3 3.50 4 0.0122 0.53 2 8.5 0.29 0 0.4807 4.41 4 3.61 8 0.0136 0.50 1 8.5 0.25 0 0.5324 4.12 5 3.69 8 0.0132 0.32 0 8.1 0.17 0 0.4815 3.81 6 3.70 0 0.0102 0.20 1 9.0 0.25 0 0.4065 2.73 7 3.72 3 0.0108 0.29 1 9.1 0.24 0 0.3925 2.39 8 3.78 5 0.0128 0.41 0 10.1 0.19 0 0.4671 3.08 9 3.92 2 0.0100 0.21 4 9.1 0.41 0 0.4460 3.61 10 3.92 3 0.0104 0.26 4 10.1 0.29 0 0.4018 3.53 11 3.92 6 0.0122 0.33 1 10.4 0.23 0 0.4800 2.63 12 3.93 5 0.0113 0.25 1 9.6 0.24 0 0.4345 2.08 13 3.94 3 0.0116 0.30 3 10.0 0.29 0 0.3743 2.21 14 3.96 3 0.0124 0.40 4 9.7 0.29 0 0.4960 3.38 15 3.97 4 0.0122 0.40 3 9.3 0.29 0 0.5024 2.77 16 3.98 7 0.0124 0.38 3 9.8 0.29 0 0.4293 2.97 17 3.99 5 0.0126 0.36 0 9.3 0.20 0 0.4429 2.90 18 4.02 5 0.0116 0.29 2 10.0 0.23 0 0.5281 3.64 19 4.13 1 0.0099 0.22 3 9.8 0.29 0 0.4849 3.69 20 4.18 7 0.0130 0.32 3 9.7 0.28 0 0.5405 2.92 Ave 3.81 4 0.0116 0.32 2 9.4 0.25 0 0.4592 3.12 +/- 0.27 2 0.0011 0.09 1 0.6 0.05 0 0.0476 0.63 Min 3.10 0 0.0099 0.20 0 8.1 0.17 0 0.3743 2.08 Max 4.18 8 0.0136 0.53 4 10.4 0.41 0 0.5405 4.41 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA LEU 84 - QD1 LEU 87 4.63 6 0.16 0.40 + + * + ++ peak 3123 VdW CG HIS 51 - C HIS 51 2.90 10 0.18 0.25 + + *+ + +++ ++ VdW HA ARG 108 - CD PRO 109 2.60 9 0.15 0.29 + +* ++++ ++ VdW HA ARG 408 - CD PRO 409 2.60 9 0.14 0.29 + +* ++++ ++ 1 violated distance constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.44 +/- 0.15 A (0.24..0.79 A; 20 structures) Average heavy atom RMSD to mean : 0.87 +/- 0.11 A (0.71..1.10 A; 20 structures)