Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 3.15 6 0.0138 0.52 1 7.4 0.24 0 0.4176 2.98 2 3.25 7 0.0146 0.54 0 8.2 0.16 0 0.3384 2.61 3 3.45 6 0.0147 0.55 2 8.3 0.23 0 0.4415 3.22 4 3.57 6 0.0145 0.53 1 9.4 0.21 0 0.4963 3.47 5 3.60 7 0.0148 0.53 1 8.7 0.24 0 0.4657 3.48 6 3.64 7 0.0153 0.55 0 9.1 0.18 0 0.4754 3.27 7 3.75 6 0.0142 0.53 2 8.8 0.23 0 0.4376 3.14 8 3.81 5 0.0142 0.56 2 9.2 0.23 0 0.4688 3.42 9 3.83 6 0.0144 0.42 1 10.2 0.23 0 0.5454 4.59 10 3.86 7 0.0144 0.54 4 9.7 0.25 0 0.4344 2.91 11 3.87 5 0.0155 0.55 1 9.9 0.21 0 0.5484 3.23 12 3.88 6 0.0153 0.55 0 9.9 0.17 0 0.4385 3.21 13 3.93 7 0.0154 0.54 0 9.2 0.18 0 0.4598 3.93 14 4.04 6 0.0133 0.42 2 9.6 0.25 0 0.5187 4.48 15 4.09 7 0.0154 0.52 0 9.7 0.17 1 0.5570 5.07 16 4.15 7 0.0152 0.54 2 9.8 0.25 0 0.4368 2.88 17 4.15 6 0.0144 0.41 3 10.2 0.28 0 0.5306 4.45 18 4.18 5 0.0143 0.43 1 8.8 0.20 0 0.5572 4.60 19 4.19 5 0.0150 0.53 3 10.4 0.28 0 0.4953 3.33 20 4.21 7 0.0148 0.42 0 10.3 0.19 0 0.6253 4.89 Ave 3.83 6 0.0147 0.51 1 9.3 0.22 0 0.4844 3.66 +/- 0.30 1 0.0006 0.05 1 0.8 0.04 0 0.0632 0.73 Min 3.15 5 0.0133 0.41 0 7.4 0.16 0 0.3384 2.61 Max 4.21 7 0.0155 0.56 4 10.4 0.28 1 0.6253 5.07 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QQD LEU 89 - HG2 PRO 112 3.87 13 0.22 0.26 ++++ +++++ + ++ * peak 4472 Upper H LEU 96 - QG2 ILE 100 5.41 9 0.20 0.25 +* ++ + + ++ + peak 1673 Upper HB2 PRO 97 - HG12 ILE 100 4.99 20 0.42 0.43 +++++++++++++++++*++ peak 4266 Upper HD3 PRO 97 - HG12 ILE 100 5.05 20 0.38 0.41 +*++++++++++++++++++ peak 4413 Upper H GLU 114 - HG2 GLU 114 4.06 15 0.40 0.56 +++++++* ++++ ++ + peak 1276 Upper HA ALA 116 - HB VAL 119 4.15 20 0.33 0.40 ++++++++*+++++++++++ peak 4272 VdW H LEU 118 - CG LEU 118 2.55 12 0.18 0.24 * +++ ++ ++ ++++ 6 violated distance constraints. 1 violated van der Waals constraint. 0 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.38 +/- 0.09 A (0.27..0.63 A; 20 structures) Average heavy atom RMSD to mean : 0.79 +/- 0.08 A (0.69..1.04 A; 20 structures)