Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVR-IIQCHFVFGVNLMDERNFEQAARHFKLALNMAQA-EQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI 4GPK Chain:A ((13-234)) ----------VKGKLDEWLNALVHLDKQQVERIYEELQGEMKHVL-DFEIINYYKLLYTRYLIMKRDISALE----EELDKLKKVYKKYSPFQKLL-------YMYGRGLLCCLQYRWKDGLDYLLKTEVMAKEQGYH--ETGLYYNIALAYTHLDIHHLAIHFVNMALEGF--RSEYKFRNIINCQILIAVSYTEKGQYEEALKMYESILREATSFADKDVLLAITLSNMGSIYYKK--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GPK.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 : 807 -112302 -139.16 -534.77 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -139.16 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4GPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GPK-query.scw PDB file : Tito_Scwrl_4GPK.pdb: