Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNP---YANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE 4IB2 Chain:A ((6-250)) -------------------------SSEDAKTIKVAASATPHAEILEQAKSILKKEGYQLEVTVFDDYVQPNEVVESGEFDANYFQHVPYLES-FNEEKGTHLVDAGDIHYEPFGIYPGTKKSLDEISEGDKIAVPNDTTNEARALLLLQDNGIITLKDGA-GLNATVNDIEENPYNVEIVELEAAQVARV--TGETAYVVLNGNYALEAGYSVAKDALAYEKSDSEAAKTYVNIIAVKEGNEKEEKIQALVKALKSDEIKEYIEKTYDGAVIP---

General information: TITO was launched using: RESULT: Template: 4IB2.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 : 1339 -56155 -41.94 -232.05 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -41.94 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_4IB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IB2-query.scw PDB file : Tito_Scwrl_4IB2.pdb: