Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.36 2 0.0086 0.25 1 7.3 0.23 0 0.3628 2.35 2 2.42 1 0.0077 0.22 0 7.3 0.17 0 0.3589 2.56 3 2.48 3 0.0086 0.21 1 7.8 0.23 0 0.3585 2.14 4 2.49 1 0.0083 0.23 2 7.8 0.29 0 0.4297 2.75 5 2.63 1 0.0071 0.24 3 7.3 0.29 0 0.2904 2.00 6 2.66 3 0.0078 0.29 3 8.0 0.29 0 0.3575 2.00 7 2.91 2 0.0083 0.25 4 8.7 0.29 0 0.4194 2.45 8 2.92 0 0.0081 0.19 1 8.5 0.22 0 0.3547 2.35 9 3.06 4 0.0097 0.24 0 8.9 0.18 0 0.3411 2.23 10 3.10 5 0.0108 0.32 0 8.4 0.17 0 0.4435 2.50 11 3.19 1 0.0087 0.32 3 8.9 0.29 0 0.3196 2.35 12 3.27 1 0.0083 0.30 3 8.3 0.29 0 0.3397 1.71 13 3.28 1 0.0084 0.25 1 7.8 0.24 0 0.3232 2.19 14 3.29 3 0.0092 0.21 1 8.4 0.23 0 0.3572 2.79 15 3.44 4 0.0099 0.33 0 8.1 0.17 0 0.5763 3.92 16 3.45 1 0.0086 0.26 1 8.2 0.23 0 0.3173 2.32 17 3.46 2 0.0093 0.22 3 9.7 0.29 0 0.4379 2.68 18 3.49 1 0.0087 0.23 3 9.0 0.29 0 0.3388 1.91 19 3.53 0 0.0080 0.20 4 9.4 0.29 0 0.3715 2.34 20 3.56 1 0.0092 0.28 3 8.2 0.29 0 0.3628 2.29 Ave 3.05 2 0.0087 0.25 2 8.3 0.25 0 0.3730 2.39 +/- 0.40 1 0.0008 0.04 1 0.7 0.04 0 0.0616 0.44 Min 2.36 0 0.0071 0.19 0 7.3 0.17 0 0.2904 1.71 Max 3.56 5 0.0108 0.33 4 9.7 0.29 0 0.5763 3.92 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD PHE 47 - HG LEU 65 4.18 7 0.18 0.24 + + + +* ++ peak 305 Upper QG PRO 112 - HG LEU 362 4.81 8 0.13 0.32 + + + *+ + + + peak 3779 VdW CG HIS 51 - C HIS 51 2.90 14 0.20 0.24 + + ++++ *+++ +++ + VdW HA ARG 108 - CD PRO 109 2.60 10 0.16 0.29 +*++ ++ ++++ VdW HA ARG 408 - CD PRO 409 2.60 10 0.15 0.29 +*++ ++ ++++ 2 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.44 +/- 0.10 A (0.27..0.68 A; 20 structures) Average heavy atom RMSD to mean : 0.87 +/- 0.08 A (0.74..1.06 A; 20 structures)