Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDEQKKPEQIHRRDILKWGAMAGAAVAIGASGLGGLAPLVQTAAKPSKKDEKEEEQIVPFYGKHQAGITTAHQTYVYFAALDVTA-KDKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTGESADLSPSNLTVTFGFGPGFFEKDGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGF-LSGGKNGE--TPRNLFGFKDGTGNQSTKDDTLMNSIVWIQS-GEPDWMTGGTYMAFRKIKMFLEVWDRSSLKDQEDTFGRRKSSGAPF-GQKKETDPVKLN----------QIPSNSHVSLAK---STGKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFIPMLKALSAKDALNEYTQTIGSALYACPGGCKKGEYIAQRLLES 4GT2 Chain:E ((102-464)) ------------------------------------------------------------FHGKHQPGITTPMQARGHLVAFDLAAGAGRKEAAALLRRWSDTARRLMAGEPAGS---------RDTDVARDAGPSSLTVTFGFGHSFF-----GRTGLEEQRPVALDPLPDFSSDHLDKNRSNGDLWVQIGADDALVAFHALRAIQRDAGAAARVRWQMNGFNRSPGATAHPMTARNLMGQVDGTRNPKPGEADFDRRIFVPEEP---AWMANGSYVVVRRIRMLLDDWEELSLKAQEDVIGRRKSDGAPLSGGSGATESTEMDLEKTDGSGELVVPINAHARITRPDQNGGAAMVRRPFSYHDGFD-ADGVPDAGLLFVCWQADPLRGFVPVQRKLDRGDALSQFIRHEASGLFAVPGGAAEGEYVGQRLLE-

General information: TITO was launched using: RESULT: Template: 4GT2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1787 27376 15.32 81.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.78 3D Compatibility (PKB) : 15.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4GT2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GT2-query.scw PDB file : Tito_Scwrl_4GT2.pdb: