Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSE-KTANSFGIEIDDVLLKIAYAQANLLKKE---LELFHQDSLEPL----FIDPVDTVICDLPVGYYPNDEGA----EAFELK-ADEGHSFAHHLFIEQSVKHTK-PGGYLFFMIPNHLFESS-QSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSN---------QKAMLDMMAQFDEWFKKEK 3LKD Chain:A ((154-447)) ---------------------------------------------------NQTVAAVMKELAVLDVAGHAGDMLGDAYEYLIGQFATD--KAGEFYTPQPVAKLMTQIAFLGREDKQGFTLYDATMGSGSLLLNAKRYSRQPQTVVYFGQELNTSTYNLARMNMILHGVPIENQFLHNADTLDEDWPTQEPTNFDGVLMNPPYSAKWSASSGFMDDPRFSPFGKLAPKSKADFAFLLHGYYHLKQDNGVMAIVLPHGVLFRGNAEGTIRKALLEEGAIDTVIGLPANIFFNTSIPTTVIILKKNRT----NRDVYFIDASKEFDKGKNQNIMTDAHIEKILNAYKSR-----

General information: TITO was launched using: RESULT: Template: 3LKD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1352 5717 4.23 21.41 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 4.23 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3LKD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LKD-query.scw PDB file : Tito_Scwrl_3LKD.pdb: