Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.65 1 0.0067 0.30 1 5.5 0.22 0 0.3508 2.64 2 1.72 0 0.0065 0.19 1 6.1 0.24 0 0.3757 3.61 3 1.81 0 0.0067 0.16 2 7.8 0.25 0 0.3444 2.85 4 1.81 1 0.0076 0.25 0 7.0 0.18 0 0.4232 3.66 5 1.88 0 0.0072 0.17 2 7.1 0.29 0 0.3895 4.19 6 2.06 2 0.0078 0.30 0 6.9 0.15 0 0.4137 2.65 7 2.07 0 0.0071 0.20 4 6.7 0.29 0 0.2750 2.12 8 2.07 0 0.0081 0.20 2 7.3 0.29 0 0.3321 2.81 9 2.08 0 0.0084 0.20 1 7.6 0.22 0 0.4307 2.68 10 2.09 1 0.0072 0.27 0 6.5 0.14 0 0.4536 3.60 11 2.15 3 0.0081 0.25 3 7.1 0.29 0 0.3048 2.80 12 2.18 0 0.0068 0.17 2 7.0 0.29 0 0.3138 2.33 13 2.23 1 0.0080 0.22 2 7.3 0.29 0 0.4100 3.67 14 2.29 1 0.0092 0.39 0 6.8 0.17 0 0.3871 2.61 15 2.38 0 0.0089 0.18 2 7.7 0.25 0 0.4171 2.95 16 2.44 0 0.0081 0.18 2 7.4 0.29 0 0.3224 1.91 17 2.45 0 0.0077 0.19 3 7.5 0.28 0 0.3748 2.68 18 2.52 2 0.0082 0.33 2 7.6 0.28 0 0.3721 3.28 19 2.54 1 0.0087 0.21 4 8.3 0.29 0 0.3387 2.66 20 2.54 4 0.0102 0.40 1 7.3 0.21 0 0.5618 4.68 Ave 2.15 1 0.0078 0.24 2 7.1 0.25 0 0.3796 3.02 +/- 0.27 1 0.0009 0.07 1 0.6 0.05 0 0.0621 0.68 Min 1.65 0 0.0065 0.16 0 5.5 0.14 0 0.2750 1.91 Max 2.54 4 0.0102 0.40 4 8.3 0.29 0 0.5618 4.68 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 VdW CG HIS 51 - C HIS 51 2.90 8 0.16 0.25 ++ + + + * ++ VdW HA ARG 108 - CD PRO 109 2.60 10 0.17 0.29 + ++ ++* ++++ VdW HA ARG 408 - CD PRO 409 2.60 10 0.16 0.29 + ++ ++* ++++ 0 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.44 +/- 0.11 A (0.29..0.76 A; 20 structures) Average heavy atom RMSD to mean : 0.84 +/- 0.08 A (0.73..1.04 A; 20 structures)