Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKRPKCSIVKSVASRYLENIISVEPVHKGTSTFVYRLITET-GIFYI-RFLPEKASFASEVLVHNTLYELDVK-VPKVIAFEHK---DKETNLSVMIIEEIAGICLEDSDSQLDFKEILRNAGKQLALIHTISVDGFGWIDKSSHIKLKGENQRFEDYFNLYLENDLQ-----ALCKYS--FSN---EEIKQIRRLMIS--AGSILNVEKAVLVHGDFDISHIFHKDGRYTGIIDFGEVRGNNRLYDLATFAG-FY---QDRKLYSYLLKGYCEITPLSARDLYATELMALFIILRFLGKKVNTKFSNHWFKLAKKQLNHINNLDNVEQLLDITRH 3I1A Chain:B ((2-291)) LKQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY-HDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNL---TGKQWKQLGKVLRQIHETSVPISIQQQLRK----EIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDIAV------------------------------------

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 : 1069 -47318 -44.26 -176.56 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -44.26 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.268

(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: