Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRINDFIITDETEIASLLAPFDSTLTILDFSLMKDSMSNSGYI--VTTNSGKYFLKIYSKTTDKIETAALSYLKN-KIN-VPALLFYDGSKQ---RFPFAYAIMEFLDGVTFINH-VRSNLKYPPEMAYEIGRICAMIHERSYAHDALLD--GKLNLLQELPRTRDKILHLLN----GKPSE----YLRP--ETIDSLCGFIKENPDLFDSIEAKSVLCHGDLGYANIMISDG-KVSFIDFEFTYSGSIYHDIGHFFRRKDDDVEALINRHIYDAFAQGYNSVSASPLPSNWLTLAHLCDISAMLCLLTYDNVPTEWVEDIENDILCAIDEDSRL 3I1A Chain:B ((5-272)) --------PIQAQQLIELLKVHYGID-IHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGK------QWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNV---WNKPHEIQYFYEGYGE--INV------------------------------------------------

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 : 935 -32115 -34.35 -130.02 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -34.35 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.288

(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: