Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDEQKKPEQIHRRDILKWGAMAGAAVAIGASGLGGLAPLVQTAAKPSKKDEKEEEQIVPFYGKHQAGITTAHQTYVYFAALDVTAKDKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTGESADLSPSNLTVTFGFGPGFFEK-DGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGFLSGGKNGE----TPRNLFGFKDGTGNQSTKDDTLMNSIVWIQSGEPD--WMTGGTYMAFRKIKMFLEVWDRSSLKDQEDTFGRRKSSGAPFGQKKETDPVKLNQ--------IPSNSHVSLA---KSTGKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFIPMLKALSAK-DALNEYTQTIGSALYACPGGCKKGEYIAQRLLES 4GS1 Chain:A ((97-394)) --------------------------------------------------------------------------------------------------------------------------------SAGLLPASLMVTIGIGGSLLEAMDAADR------RPDALADLPEFATDDLRPRWCGGDLMLQVGAEDPMVLAAAVDELVAATAPTTTVRWSLRGFRRTAAAAQDPDATPRNLMGQIDGTANPAQDHPLFTRTVTAPPADDPAHAWMDGGSYLVVRRIRMLLDEWRRLDVPDRERVIGRHLDTGAPLGGEKETDPVVLTARDADGRLVIPEDAHVRLANPENNLGARMVRRGYNYDEGWR-DDGVRDAGLLFMAWQGNPATGFVPVQRSLVEQGDALNRYTRHEGSALFAVPAATAD-RYPGQDLVE-

General information: TITO was launched using: RESULT: Template: 4GS1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1217 54971 45.17 197.03 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 45.17 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.391

(partial model without unconserved sides chains): PDB file : Tito_4GS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GS1-query.scw PDB file : Tito_Scwrl_4GS1.pdb: