Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLTKRFNKQLDKIQVSLIRQFDQVISEIPGVLRLTLGEPDFTTPDHVKEAAKRAIDQNQSYYTGMSGLLTLRQAASDFVKEKYQLDYAPENEILVTIGATEALSATLTAILEEGDKVLLPAPAYPGYEPIVNLVGAEIVEIDT-TENGFVLTPEMLEKAILEQGDKLKAVILNYPANPTGITYSREQLEALAAVLRKYEIFVVCDEVYSELTYTGEAHVSLGTMLRDQAIIINGLSKSHAMTGWRLGLIFAPATFTAQLIKSHQYLVTAANTMAQHAAVEALT---AGKNDAEPMKKEYIQRRDYIIEKMTALGFEIIKPDGAFYIFAKIPAGYNQDSFAFLKDFAQ------KKAVAFIPGAAFGRYGEGYVRLSYAASMETIKEAMKRLEEYMREA 5BJ4 Chain:B ((36-382)) ----------------------------------LTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPE-ETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAIT---PRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGE-HFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTALGLKAVRPSGAFYVL--------MDTSPIAPDEVRAAERLLEAGVAVVPGTDFAAF--GHVRLSYATSEENLRKALERFARVL---

General information: TITO was launched using: RESULT: Template: 5BJ4.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 : 1976 -72220 -36.55 -214.30 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -36.55 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_5BJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BJ4-query.scw PDB file : Tito_Scwrl_5BJ4.pdb: