Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDFAEWVRVAFGLGEGPLVRTVGGRGADGDVWH--LRVRDREYAVKRPFRAFDPAAVRHEAALLEHLTSGGVE-VPTHVASPEGQLVVEVPDHLGGGNARVSHWVTGTSVTDR--TSEVAEQLGTLLAQLHRAAPATWDRPRSWHTAMVPPDEWAELVRR---SSGQ-----PWHQALVARH---D-DLTAYAEVV----DRAGPGTGPFVLGHCDLHPDNALAAPDGSLRALDWEDCGPVDPTRELAKTLVQWHVLGESVDDDAITKTVAAYRDAGGPGLLADTPDFAMVLCSETNFLANQVRLALDVSAPGERRDQARGEITEALADYLPSIAALERVLSVTRPG 3I1A Chain:B ((13-286)) -----ELLKVHYGIDI--HTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL----KHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPI-S-IQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW--NKPHEIQYFYEGYGEINVD--KTILSYYRHERIV-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 962 -8204 -8.53 -32.43 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -8.53 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: