Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDL----RKNIGMVFQKGNPFPQ-SIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALS-LSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILEL--KDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG 3TIF Chain:B ((19-223)) --------------------------YALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPT-----EGEVYID--NIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVEL-PLIFKYRGAMSGEERRKRALECLKMA-ELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDI-NVARFGERIIYLKDGEV---------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 953 -15316 -16.07 -77.75 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -16.07 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: