Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.67 0 0.0079 0.18 2 8.3 0.22 0 0.3570 2.72 2 2.73 3 0.0100 0.32 0 7.0 0.17 0 0.4183 3.10 3 2.98 2 0.0092 0.24 1 8.6 0.22 0 0.4204 3.69 4 3.09 5 0.0112 0.28 0 9.2 0.19 0 0.4149 2.77 5 3.23 6 0.0110 0.42 1 7.9 0.21 0 0.3517 2.44 6 3.25 5 0.0100 0.24 1 8.7 0.23 0 0.3838 2.56 7 3.50 2 0.0099 0.25 3 9.6 0.30 0 0.4348 3.59 8 3.55 3 0.0092 0.26 2 9.3 0.29 0 0.2840 2.43 9 3.62 4 0.0101 0.33 0 8.1 0.17 0 0.4256 2.51 10 3.71 8 0.0127 0.38 0 9.3 0.17 0 0.3758 2.11 11 3.75 3 0.0115 0.32 0 11.2 0.20 0 0.4672 2.73 12 3.75 3 0.0098 0.28 1 8.7 0.24 0 0.3816 2.96 13 3.78 3 0.0102 0.35 4 9.3 0.29 0 0.3278 2.22 14 3.79 7 0.0125 0.34 1 10.1 0.21 0 0.4180 2.45 15 3.80 6 0.0118 0.37 3 9.5 0.29 0 0.4811 3.75 16 3.86 2 0.0096 0.23 4 8.7 0.29 0 0.4431 2.83 17 3.92 4 0.0105 0.28 3 10.0 0.30 0 0.4991 2.74 18 4.02 2 0.0099 0.24 3 9.8 0.29 0 0.3791 3.28 19 4.03 5 0.0111 0.34 1 9.6 0.24 0 0.4685 3.64 20 4.03 5 0.0110 0.26 1 8.8 0.21 0 0.5786 4.29 Ave 3.55 4 0.0105 0.30 2 9.1 0.24 0 0.4155 2.94 +/- 0.41 2 0.0011 0.06 1 0.9 0.04 0 0.0641 0.57 Min 2.67 0 0.0079 0.18 0 7.0 0.17 0 0.2840 2.11 Max 4.03 8 0.0127 0.42 4 11.2 0.30 0 0.5786 4.29 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA MET 83 - QQD LEU 373 4.28 6 0.15 0.38 +++ ++* peak 2973 Upper HA LEU 84 - QD1 LEU 87 4.63 9 0.18 0.33 +++ *+ + + ++ peak 3123 Upper QG PRO 112 - HG LEU 362 4.59 6 0.08 0.29 +++ * + + peak 3779 VdW CG HIS 51 - C HIS 51 2.90 7 0.15 0.24 + + + + ++ * VdW CG1 VAL 104 - C VAL 104 2.90 9 0.18 0.26 + + + ++ *++ + VdW HA ARG 108 - CD PRO 109 2.60 6 0.13 0.30 *+ + ++ + VdW HA ARG 408 - CD PRO 409 2.60 6 0.11 0.30 *+ + ++ + 3 violated distance constraints. 4 violated van der Waals constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.39 +/- 0.09 A (0.28..0.67 A; 20 structures) Average heavy atom RMSD to mean : 0.84 +/- 0.07 A (0.72..0.99 A; 20 structures)