Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.26 2 0.0116 0.33 7 9.6 0.33 3 1.2032 6.96 2 3.39 2 0.0114 0.23 7 11.2 0.30 1 1.0351 5.12 3 3.40 7 0.0134 0.30 5 9.5 0.34 1 1.1864 5.71 4 3.42 3 0.0123 0.27 6 10.4 0.30 0 1.1294 4.97 5 3.43 3 0.0121 0.23 7 10.2 0.30 4 1.2320 7.51 6 3.44 4 0.0121 0.26 5 9.9 0.35 3 1.2452 6.49 7 3.51 4 0.0123 0.34 5 10.3 0.31 4 1.2307 7.78 8 3.55 3 0.0119 0.25 5 11.3 0.34 2 1.2626 6.34 9 3.59 3 0.0129 0.36 5 11.1 0.38 3 1.1905 5.52 10 3.62 3 0.0129 0.35 5 11.0 0.31 3 1.1411 5.47 11 3.63 2 0.0124 0.27 8 11.5 0.30 0 1.1821 4.77 12 3.67 5 0.0140 0.32 4 10.1 0.30 5 1.4706 9.78 13 3.79 4 0.0130 0.35 8 11.2 0.30 2 1.1574 6.28 14 3.80 2 0.0123 0.27 8 11.3 0.33 3 1.1734 6.38 15 3.92 4 0.0140 0.30 5 11.1 0.30 3 1.2625 6.36 16 3.96 3 0.0135 0.45 8 11.1 0.33 3 1.2272 7.72 17 4.07 7 0.0142 0.37 5 11.4 0.30 4 1.4329 7.49 18 4.08 5 0.0129 0.31 8 12.2 0.30 3 1.2912 6.17 19 4.11 6 0.0148 0.30 8 11.0 0.31 4 1.2901 6.46 20 4.19 7 0.0144 0.36 8 11.6 0.48 1 0.9961 5.71 Ave 3.69 4 0.0129 0.31 6 10.8 0.33 3 1.2170 6.45 +/- 0.27 2 0.0010 0.05 1 0.7 0.04 1 0.1075 1.16 Min 3.26 2 0.0114 0.23 4 9.5 0.30 0 0.9961 4.77 Max 4.19 7 0.0148 0.45 8 12.2 0.48 5 1.4706 9.78 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 21 - QQG VAL 71 3.47 9 0.19 0.30 + + + * ++ +++ peak 3330 Upper H THR 99 - HB THR 99 3.30 6 0.07 0.25 ++ + ++ * peak 2201 VdW HA ASP 28 - CD PRO 29 2.60 18 0.24 0.30 ++ ++++*++++++ +++++ VdW CG2 ILE 32 - C ILE 32 2.90 9 0.19 0.24 +++ + + + ++* VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++++++*+++++++++++ VdW CG1 VAL 75 - C VAL 75 2.90 12 0.20 0.27 + ++ + +++++*++ VdW O ARG 104 - O ASN 107 2.60 20 0.28 0.34 ++*+++++++++++++++++ VdW O ASN 120 - C LYS 121 2.80 20 0.31 0.48 +++++++++++++++++++* VdW HA ASP 123 - CD PRO 124 2.60 16 0.25 0.31 ++++ +*++ + ++++ +++ Angle PSI CYS 62 148.00 170.00 12 5.03 6.20 + + +++ ++*++++ Angle PHI ILE 63 -151.00 -129.00 17 5.47 6.38 +++ ++++++ ++*+++++ Angle PHI TRP 118 -129.00 -69.00 6 4.77 6.77 + + + + * + Angle PSI ASN 120 -9.00 11.00 7 4.50 6.96 * + + + ++ + 2 violated distance constraints. 4 violated angle constraints. RMSDs for residues 18..123: Average backbone RMSD to mean : 0.45 +/- 0.12 A (0.30..0.69 A; 20 structures) Average heavy atom RMSD to mean : 0.97 +/- 0.09 A (0.85..1.16 A; 20 structures)