Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.38 3 0.0063 0.14 4 6.6 0.27 0 0.4754 2.50 2 1.71 11 0.0102 0.21 3 7.1 0.30 0 0.6707 3.42 3 2.19 9 0.0154 0.52 5 6.6 0.30 0 0.5322 3.48 4 2.21 8 0.0166 0.70 4 6.5 0.30 0 0.4201 2.22 5 2.30 6 0.0124 0.41 6 7.0 0.30 0 0.7327 3.29 6 2.32 4 0.0098 0.25 7 8.9 0.30 0 0.6009 3.05 7 2.38 9 0.0166 0.53 4 7.1 0.30 0 0.5513 3.44 8 2.42 10 0.0158 0.42 5 7.9 0.33 0 0.5577 2.65 9 2.70 13 0.0166 0.51 5 9.1 0.30 0 0.9462 4.59 10 2.73 12 0.0161 0.45 6 8.7 0.30 1 0.9768 7.84 11 2.84 16 0.0193 0.51 6 8.6 0.30 0 0.8424 4.60 12 2.94 11 0.0188 0.53 5 9.4 0.30 0 0.7422 3.56 13 3.16 19 0.0221 0.51 4 8.7 0.30 0 0.7700 3.32 14 3.17 8 0.0212 0.78 6 7.7 0.30 2 0.8798 7.46 15 3.18 16 0.0181 0.52 6 8.2 0.38 0 0.7570 4.55 16 3.30 14 0.0230 0.71 6 8.1 0.34 0 0.6665 3.74 17 3.44 15 0.0244 0.52 5 8.0 0.30 1 0.8067 6.72 18 3.45 24 0.0199 0.69 6 10.2 0.30 1 0.8073 5.88 19 3.63 21 0.0218 0.50 7 10.3 0.30 2 1.0627 7.18 20 3.70 13 0.0198 0.65 7 9.6 0.39 0 0.6465 2.87 Ave 2.76 12 0.0172 0.50 5 8.2 0.31 0 0.7223 4.32 +/- 0.62 5 0.0046 0.16 1 1.1 0.03 1 0.1672 1.71 Min 1.38 3 0.0063 0.14 3 6.5 0.27 0 0.4201 2.22 Max 3.70 24 0.0244 0.78 7 10.3 0.39 2 1.0627 7.84 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QG2 VAL 20 - H LYS 114 4.22 7 0.04 0.13 ++ + * +++ peak 1204 Upper HG LEU 47 - H PHE 50 4.95 8 0.07 0.30 + + +++ +*+ peak 1734 Upper QG2 VAL 79 - HB3 LEU 84 5.50 8 0.08 0.33 ++ + ++* + + peak 588 Upper H GLU 85 - QD1 LEU 87 5.50 7 0.07 0.30 + + + +* + + peak 2183 Upper HA ASN 86 - HB3 LEU 87 5.50 10 0.08 0.20 + ++ ++ + ++ * + peak 638 Upper HB ILE 150 - HA MET 151 5.06 8 0.20 0.52 * + +++ ++ + peak 1133 VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++*+++++++++++++++++ VdW CB TYR 60 - CD PRO 61 3.20 7 0.10 0.28 +++ * + + + VdW CG2 ILE 102 - CD1 ILE 102 3.00 20 0.25 0.30 ++++++++++++*+++++++ VdW O ASN 120 - C LYS 121 2.80 7 0.15 0.25 + + +* +++ VdW CG TRP 135 - C TRP 135 2.90 14 0.21 0.25 + ++++ ++ +++* +++ 6 violated distance constraints. 0 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 6.04 +/- 1.59 A (2.53..8.85 A; 20 structures) Average heavy atom RMSD to mean : 6.32 +/- 1.52 A (3.06..8.78 A; 20 structures)