Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.24 3 0.0099 0.39 0 7.3 0.18 0 0.3760 2.24 2 2.27 0 0.0067 0.19 1 7.0 0.23 0 0.3399 2.61 3 2.27 1 0.0081 0.21 0 7.7 0.19 0 0.2737 1.79 4 2.40 1 0.0077 0.23 0 6.9 0.17 0 0.3522 2.36 5 2.40 1 0.0076 0.22 0 8.1 0.18 0 0.2791 2.13 6 2.46 2 0.0075 0.23 1 7.2 0.22 0 0.2648 1.65 7 2.54 2 0.0085 0.29 2 7.8 0.29 0 0.2420 1.75 8 2.55 2 0.0089 0.32 0 7.4 0.20 0 0.3204 2.14 9 2.57 1 0.0071 0.21 0 6.6 0.16 0 0.3251 2.33 10 2.73 2 0.0085 0.26 0 7.7 0.19 0 0.2921 2.05 11 2.82 1 0.0079 0.21 3 7.7 0.29 0 0.3105 2.25 12 2.90 3 0.0089 0.28 2 8.2 0.29 0 0.3685 2.13 13 2.96 4 0.0095 0.28 4 8.5 0.28 0 0.4425 3.32 14 2.98 0 0.0066 0.17 0 6.6 0.17 0 0.3158 1.91 15 2.99 2 0.0085 0.23 3 7.9 0.29 0 0.3824 2.86 16 3.01 2 0.0073 0.22 4 8.3 0.29 0 0.2916 2.00 17 3.02 2 0.0089 0.29 1 7.1 0.22 0 0.3544 2.18 18 3.08 4 0.0098 0.36 3 8.8 0.29 0 0.4225 2.18 19 3.12 1 0.0090 0.21 1 9.2 0.21 0 0.3715 2.01 20 3.25 1 0.0093 0.25 3 9.0 0.29 0 0.3796 3.09 Ave 2.73 2 0.0083 0.25 1 7.7 0.23 0 0.3352 2.25 +/- 0.31 1 0.0010 0.06 1 0.7 0.05 0 0.0518 0.42 Min 2.24 0 0.0066 0.17 0 6.6 0.16 0 0.2420 1.65 Max 3.25 4 0.0099 0.39 4 9.2 0.29 0 0.4425 3.32 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H MET 383 - HG2 MET 383 3.95 6 0.10 0.27 + * +++ + VdW HA ARG 108 - CD PRO 109 2.60 8 0.14 0.29 + +++ +* + + VdW CG HIS 351 - C HIS 351 2.90 9 0.17 0.24 + * + ++++++ VdW HA ARG 408 - CD PRO 409 2.60 8 0.14 0.29 + +++ +* + + 1 violated distance constraint. 3 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.40 +/- 0.10 A (0.25..0.70 A; 20 structures) Average heavy atom RMSD to mean : 0.89 +/- 0.07 A (0.75..1.01 A; 20 structures)