Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDED--FFEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQIS--ELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVI-KQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 4AK9 Chain:A ((87-382)) ------------------------GFSKTRENL--AVVDELLTYWNLDESESILDELEEVLLVSDFGPKTALKIVDTIRKDILAGRLKSGPQIKEALKKNIFKLLT---ERVTTTELQLGNSRPAVLMIVGVNGGGKTTTLGKLANRFKKEGVKVLMAAGDT--AAAGEQLEVWAQRTGSEIVMA----PRPAAVLSQAVRRAVEEDFDVVLCDTSGRLHTNYNLMEELRGCKRAVSKALSSAPNEVLLVLDGTTGLNMLAQAREFNQVIGVTGFILTKLDGTARGGCVVSVVDELSIPVKFVGVGEGIDDLQPFDAQSFVDALF---------

General information: TITO was launched using: RESULT: Template: 4AK9.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 : 1563 -195597 -125.14 -686.31 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -125.14 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_4AK9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AK9-query.scw PDB file : Tito_Scwrl_4AK9.pdb: