Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDEQKKPEQIHRRDILKWGAMAGAAVAIGASGLGGLAPLVQTAAKPSKKDEKEEEQIVPFYGKHQAGITTAHQTYVYFAALDVTAK-DKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTGESAD-LSPSNLTVTFGFGPGFFEKDGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGFLSGGK---NGETPRNLFGFKDGTGNQSTKDDTLMNSIVWIQSGEPDWMTGGTYMAFRKIKMFLEVWDRSSLKDQEDTFGRRKSSGAPFGQKKET---DPVKL--------NQIPSNSHVSLAKS-T--GKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFIPMLKALSAKDALNEYTQTIGSALYACPGGCKKGEYIAQRLLES 4GT2 Chain:B ((89-465)) -----------------------------------------------ATPLTSLGSERAMFHGKHQPGITTPMQARGHLVAFDLAAGAGRKEAAALLRRWSDTARRLMAGEPAG----------SRDTDVARDAGPSSLTVTFGFGHSFFGR-----TGLEEQRPVALDPLPDFSSDHLDKNRSNGDLWVQIGADDALVAFHALRAIQRDAGAAARVRWQMNGFNRSPGATAHPMTARNLMGQVDGTRNPKPGEADF-DRRIFVPE--PAWMANGSYVVVRRIRMLLDDWEELSLKAQEDVIGRRKSDGAPLSGGSGATESTEMDLEKTDGSGELVVPINAHARITRPDQNGGAAMVRRPFSYHDGFDAD-GVPDAGLLFVCWQADPLRGFVPVQRKLDRGDALSQFIRHEASGLFAVPGGAAEGEYVGQRLLEG

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 B - contact count / total energy / energy per contact / energy per residue : 1882 54835 29.14 156.67 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : 29.14 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.427

(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: