Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.83 1 0.0071 0.25 1 6.9 0.20 0 0.2841 2.15 2 2.22 0 0.0073 0.18 2 7.5 0.22 0 0.3261 2.12 3 2.41 1 0.0086 0.37 1 6.4 0.21 0 0.3673 2.60 4 2.54 2 0.0076 0.21 0 7.4 0.19 0 0.3644 2.62 5 2.57 2 0.0078 0.22 0 6.7 0.16 0 0.2833 1.83 6 2.58 1 0.0073 0.29 1 7.2 0.24 0 0.2644 2.05 7 2.63 1 0.0081 0.23 1 8.4 0.23 0 0.4026 2.74 8 2.75 3 0.0098 0.38 0 7.1 0.16 0 0.3375 2.52 9 2.82 1 0.0088 0.23 2 8.0 0.29 0 0.2668 1.52 10 2.83 3 0.0089 0.26 0 7.1 0.16 0 0.4061 2.35 11 2.88 2 0.0091 0.22 4 8.8 0.29 0 0.3651 2.09 12 2.89 1 0.0091 0.22 2 9.4 0.29 0 0.4381 2.67 13 2.94 0 0.0073 0.18 1 7.2 0.21 0 0.3320 2.46 14 2.96 3 0.0095 0.31 1 7.9 0.21 0 0.4125 2.35 15 3.01 1 0.0078 0.21 3 7.7 0.37 0 0.4026 3.22 16 3.02 0 0.0081 0.18 3 9.7 0.29 0 0.5020 3.34 17 3.02 1 0.0072 0.21 1 6.8 0.21 0 0.2967 1.99 18 3.03 1 0.0084 0.21 3 8.0 0.29 0 0.3586 2.15 19 3.05 1 0.0077 0.28 0 7.7 0.19 0 0.3231 1.61 20 3.12 3 0.0094 0.33 2 8.6 0.29 0 0.3933 2.55 Ave 2.75 1 0.0082 0.25 1 7.7 0.23 0 0.3563 2.35 +/- 0.32 1 0.0008 0.06 1 0.9 0.05 0 0.0604 0.45 Min 1.83 0 0.0071 0.18 0 6.4 0.16 0 0.2644 1.52 Max 3.12 3 0.0098 0.38 4 9.7 0.37 0 0.5020 3.34 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 0.28 + + ++*+ peak 11068 VdW HA ARG 108 - CD PRO 109 2.60 7 0.12 0.29 + ++ *+ + + VdW CG HIS 351 - C HIS 351 2.90 11 0.18 0.24 +++ *+ + ++ +++ VdW HA ARG 408 - CD PRO 409 2.60 7 0.13 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 : 0.43 +/- 0.11 A (0.30..0.72 A; 20 structures) Average heavy atom RMSD to mean : 0.90 +/- 0.07 A (0.79..1.05 A; 20 structures)