Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.78 6 0.0115 0.25 0 7.3 0.16 0 0.4470 3.02 2 3.34 1 0.0100 0.22 1 9.4 0.23 0 0.3957 2.26 3 3.41 4 0.0106 0.27 2 9.2 0.28 0 0.3445 2.24 4 3.47 7 0.0106 0.26 0 8.2 0.17 0 0.4644 2.73 5 3.67 1 0.0102 0.25 4 10.4 0.29 0 0.4294 2.72 6 3.67 4 0.0117 0.26 2 9.4 0.29 0 0.3871 2.44 7 3.69 3 0.0108 0.24 3 9.6 0.29 0 0.3461 2.48 8 3.80 4 0.0106 0.33 2 8.5 0.29 0 0.3432 2.73 9 3.93 5 0.0122 0.50 3 9.9 0.29 0 0.4867 2.83 10 3.93 2 0.0107 0.24 2 9.8 0.23 0 0.3546 2.80 11 3.94 3 0.0109 0.39 2 8.7 0.28 0 0.4685 4.32 12 3.95 4 0.0101 0.25 1 9.7 0.22 0 0.5101 4.43 13 3.95 2 0.0110 0.40 0 8.9 0.16 0 0.5017 4.81 14 4.01 9 0.0125 0.31 4 9.9 0.25 0 0.4719 2.59 15 4.02 2 0.0104 0.25 2 10.2 0.29 0 0.4393 2.97 16 4.12 1 0.0100 0.29 1 8.7 0.23 0 0.4659 2.79 17 4.14 5 0.0117 0.35 2 9.2 0.29 0 0.5241 3.16 18 4.14 1 0.0091 0.22 4 9.0 0.29 0 0.4142 2.67 19 4.15 3 0.0107 0.34 2 10.3 0.24 0 0.3714 2.45 20 4.17 0 0.0099 0.20 6 10.8 0.28 0 0.4228 2.74 Ave 3.81 3 0.0108 0.29 2 9.4 0.25 0 0.4294 2.96 +/- 0.34 2 0.0008 0.07 1 0.8 0.04 0 0.0566 0.70 Min 2.78 0 0.0091 0.20 0 7.3 0.16 0 0.3432 2.24 Max 4.17 9 0.0125 0.50 6 10.8 0.29 0 0.5241 4.81 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA MET 83 - QQD LEU 373 4.28 6 0.17 0.29 + + + *+ + peak 2973 Upper HA LEU 84 - QD1 LEU 87 4.63 6 0.15 0.35 + + + + + * peak 3123 Upper QG PRO 112 - HG LEU 362 4.59 7 0.08 0.26 + ++ * + ++ peak 3779 VdW CG HIS 51 - C HIS 51 2.90 8 0.16 0.24 + + + * + +++ VdW CG1 VAL 104 - C VAL 104 2.90 7 0.17 0.26 + * + ++ + + VdW HA ARG 108 - CD PRO 109 2.60 11 0.18 0.29 + +++++ + + +* + VdW HA ARG 408 - CD PRO 409 2.60 11 0.17 0.29 + +++++ + + +* + 3 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.48 +/- 0.18 A (0.28..1.03 A; 20 structures) Average heavy atom RMSD to mean : 0.90 +/- 0.13 A (0.75..1.24 A; 20 structures)