Sde 2656

From CSBLwiki

MR

• get MR models (PDB homologs) - 1TZ6_A, 2V78_A, 1TYY_A, 2DCN_A, 3IQ0_A, 1V19_A (Top 6 PDBs) by Psi-blast
• superimpose them into 1TZ6_A (make multiple models & compare those structures) by UCSF chimera

=Phenix.automr

• use multiple models <- didn't work..
• try each model looking for best solution
• 1V19A gave best solution

Solution annotation (history):  RFZ=5.2 TFZ=4.6 PAK=0 LLG=35 RFZ=5.6 TFZ=7.7 PAK=1
   LLG=92 LLG=92
Log likelihood gain for solution MR: 92.0433