Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.44 5 0.0092 0.25 1 7.3 0.23 0 0.3911 2.91 2 2.54 4 0.0101 0.27 0 7.3 0.19 0 0.3890 3.07 3 2.55 8 0.0109 0.27 1 7.1 0.21 0 0.4418 3.18 4 2.73 3 0.0105 0.26 4 8.0 0.30 0 0.3165 2.33 5 2.88 3 0.0110 0.26 0 9.2 0.19 0 0.4955 3.11 6 3.09 4 0.0108 0.25 3 8.5 0.25 0 0.4685 3.39 7 3.11 3 0.0104 0.24 5 8.3 0.29 0 0.3441 2.40 8 3.13 4 0.0110 0.25 3 8.4 0.28 0 0.4284 3.54 9 3.25 5 0.0104 0.27 4 9.4 0.31 0 0.4149 3.79 10 3.25 5 0.0137 0.54 1 8.4 0.20 0 0.4742 3.20 11 3.27 7 0.0129 0.53 2 8.1 0.26 0 0.4962 3.16 12 3.30 5 0.0107 0.37 3 8.9 0.31 0 0.3246 2.26 13 3.35 5 0.0110 0.25 5 9.1 0.29 0 0.3970 2.94 14 3.36 8 0.0123 0.35 1 9.5 0.24 0 0.4036 3.66 15 3.40 5 0.0123 0.30 2 9.6 0.24 0 0.4199 3.44 16 3.45 7 0.0120 0.44 1 9.8 0.24 0 0.4735 3.64 17 3.46 4 0.0118 0.35 4 11.2 0.29 0 0.5111 2.44 18 3.51 5 0.0111 0.26 3 9.9 0.29 0 0.4392 2.35 19 3.54 3 0.0111 0.35 5 9.1 0.28 0 0.4883 4.52 20 3.54 6 0.0110 0.27 3 9.3 0.25 0 0.4936 4.33 Ave 3.16 5 0.0112 0.32 3 8.8 0.26 0 0.4305 3.18 +/- 0.34 2 0.0010 0.09 2 1.0 0.04 0 0.0570 0.62 Min 2.44 3 0.0092 0.24 0 7.1 0.19 0 0.3165 2.26 Max 3.54 8 0.0137 0.54 5 11.2 0.31 0 0.5111 4.52 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLU 60 - QG GLU 60 3.73 11 0.20 0.21 + ++ ++ +* + +++ peak 860 Upper HA ALA 63 - H GLU 67 4.15 13 0.22 0.28 ++++ ++++ ++ +* + peak 214 Upper HA GLU 99 - H ALA 102 3.58 19 0.24 0.35 ++++++++++++++++*+ + peak 484 VdW CG HIS 51 - C HIS 51 2.90 13 0.19 0.25 + ++ *+++ + + + +++ VdW CG1 VAL 104 - C VAL 104 2.90 7 0.17 0.27 + + +++* + VdW HA ARG 108 - CD PRO 109 2.60 9 0.15 0.31 + +++ *+ +++ VdW HA ARG 408 - CD PRO 409 2.60 9 0.14 0.31 + +++ *+ +++ 3 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.43 +/- 0.09 A (0.29..0.61 A; 20 structures) Average heavy atom RMSD to mean : 0.86 +/- 0.08 A (0.73..1.08 A; 20 structures)