Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.97 3 0.0109 0.39 0 7.8 0.17 0 0.3597 2.21 2 2.97 1 0.0086 0.21 2 8.6 0.22 0 0.3621 2.57 3 2.99 1 0.0092 0.20 1 8.4 0.23 0 0.3533 2.51 4 2.99 2 0.0096 0.30 1 8.7 0.21 0 0.3551 2.26 5 3.16 7 0.0110 0.26 0 8.5 0.17 0 0.4285 2.87 6 3.19 0 0.0089 0.19 3 7.9 0.29 0 0.4039 2.54 7 3.21 5 0.0119 0.35 2 8.2 0.24 0 0.4355 3.25 8 3.27 3 0.0100 0.29 0 8.6 0.19 0 0.3773 2.12 9 3.29 0 0.0090 0.19 2 8.8 0.29 0 0.4055 3.22 10 3.31 8 0.0120 0.36 2 8.4 0.25 0 0.4415 2.63 11 3.48 2 0.0102 0.25 3 9.2 0.29 0 0.4098 3.51 12 3.51 3 0.0098 0.33 3 8.9 0.29 0 0.3774 2.87 13 3.52 0 0.0095 0.20 3 8.7 0.29 0 0.3936 2.98 14 3.60 4 0.0114 0.37 0 9.0 0.17 0 0.4605 4.14 15 3.64 5 0.0113 0.39 3 8.8 0.29 0 0.5557 4.47 16 3.69 1 0.0096 0.26 2 9.5 0.29 0 0.3600 2.66 17 3.72 2 0.0106 0.26 2 10.1 0.23 0 0.4412 2.51 18 3.82 6 0.0114 0.27 1 8.9 0.20 0 0.4159 3.14 19 3.84 6 0.0114 0.30 3 9.7 0.29 0 0.4387 2.96 20 3.96 4 0.0109 0.29 0 8.4 0.18 0 0.4906 3.39 Ave 3.41 3 0.0104 0.28 2 8.8 0.24 0 0.4133 2.94 +/- 0.31 2 0.0010 0.06 1 0.6 0.05 0 0.0499 0.59 Min 2.97 0 0.0086 0.19 0 7.8 0.17 0 0.3533 2.12 Max 3.96 8 0.0120 0.39 3 10.1 0.29 0 0.5557 4.47 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 0.15 0.31 + + + * ++ peak 3123 VdW CG HIS 51 - C HIS 51 2.90 11 0.18 0.25 +++ ++ *+++ + + VdW HA ARG 108 - CD PRO 109 2.60 8 0.15 0.28 * + +++ ++ + 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 +/- 0.11 A (0.24..0.66 A; 20 structures) Average heavy atom RMSD to mean : 0.84 +/- 0.07 A (0.73..1.03 A; 20 structures)