Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALSEKEQFAFNRKLQMIFQDPYASLNPRMTV-REIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 2OLK Chain:B ((22-262)) ---LQMIDVHQLKKSFG-----SLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKA-KDTNLNKVREEVGMVFQ--RFNLFPHMTVLNNITLAPMKVRK-WPREKAEAKAM-ELLDKVGLK-DKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKV--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2OLK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1252 -158983 -126.98 -662.43 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -126.98 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_2OLK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OLK-query.scw PDB file : Tito_Scwrl_2OLK.pdb: