Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.51 3 0.0108 0.26 0 8.0 0.17 0 0.5535 3.48 2 2.60 5 0.0110 0.30 0 8.2 0.18 0 0.5143 3.26 3 2.79 5 0.0121 0.38 0 6.7 0.16 0 0.5568 3.23 4 2.84 4 0.0104 0.28 1 8.2 0.24 0 0.5224 3.78 5 3.01 4 0.0118 0.39 0 8.8 0.15 0 0.6592 4.25 6 3.12 7 0.0132 0.34 1 9.4 0.24 0 0.5183 2.76 7 3.16 8 0.0126 0.32 0 8.2 0.18 0 0.4823 3.77 8 3.16 3 0.0115 0.39 0 7.9 0.18 0 0.6276 3.91 9 3.22 8 0.0124 0.26 0 9.1 0.19 0 0.6057 3.93 10 3.27 6 0.0115 0.27 0 7.9 0.18 0 0.5980 3.66 11 3.32 7 0.0131 0.43 0 8.0 0.14 0 0.6229 3.79 12 3.35 5 0.0130 0.67 0 7.9 0.14 0 0.5544 4.68 13 3.40 6 0.0129 0.38 0 9.1 0.16 1 0.7832 5.84 14 3.41 11 0.0139 0.39 0 8.2 0.18 0 0.5092 2.88 15 3.44 11 0.0136 0.30 1 10.2 0.22 0 0.5011 3.02 16 3.46 8 0.0121 0.29 1 8.7 0.23 0 0.6658 4.12 17 3.51 5 0.0132 0.69 0 7.8 0.17 0 0.6269 4.58 18 3.51 7 0.0125 0.39 1 8.5 0.23 0 0.6508 3.95 19 3.53 7 0.0136 0.39 0 11.4 0.18 0 0.6261 4.33 20 3.55 8 0.0142 0.39 0 9.9 0.17 0 0.6903 4.41 Ave 3.21 6 0.0125 0.38 0 8.6 0.18 0 0.5934 3.88 +/- 0.30 2 0.0010 0.11 0 1.0 0.03 0 0.0748 0.70 Min 2.51 3 0.0104 0.26 0 6.7 0.14 0 0.4823 2.76 Max 3.55 11 0.0142 0.69 1 11.4 0.24 1 0.7832 5.84 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 - H ARG 70 5.20 11 0.22 0.32 + + +++++++*+ peak 97 Upper QE TYR 52 - QB ALA 395 4.70 20 0.26 0.30 +++++++*++++++++++++ peak 234 Upper H LEU 62 - HG LEU 62 3.53 17 0.28 0.43 +++++++++ * ++++ +++ peak 884 Upper H LEU 96 - HA GLN 101 5.44 13 0.20 0.25 + + ++ +++ ++++* + peak 462 4 violated distance constraints. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.52 +/- 0.13 A (0.37..0.91 A; 20 structures) Average heavy atom RMSD to mean : 0.96 +/- 0.09 A (0.85..1.21 A; 20 structures)