Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MNTRHFSQLPKAALAYPKVVQGLIFKKPKGPKILPQVEYVVDTLEIDQNHLKAYNEVCGFQNNG----FVPAIYLAVLSQSLQMHMMTAEAFPFPILGLVHIRNQIKQTRPIGVTEKLTLSCKLGELKPHDKGVQFDFITTAK-VGNEVVMEGLTTYLS--RQKVEKRVGEKAKE------------EQAPAY----------------------------------VPKAEWNILENTGRRYAKVSGDFNLIHIHAITAKAFGFKQAIAHGMWSKA--KALANLELPNAY---EADVWFKLPMFLP---SKVEF----LTANADKKTDFLIRNAKSQKPHVAGTVKAL---- 4V12 Chain:A ((7-343)) DTSTLESRVGHYYQME--------------------DTYLVGREKVREFARAVQDYHPAHWNLATAADLGHPGLIAPLTFTSAPAMACNQRMFESVVVGYD--MYLQTEEVFEQHRPIVEGDELSIDIELTSVRRIAGRDLITVTNTFTDTAGEVVHTLHTTVVGITAEDVDPAIRPAVQGVMMHGINMLGVEETNAPYEKTVRPEGELRIAQGGATRTPTSLNFDDLKVGEELPVHTARLSRGDLVNYAGVAGDANPLHWDENIAKLAGQPDVIAHGMLTMGLGAGFVSSWSGDPGAITRYAVRLSQPAVVPAEGTEIEYSGRIKSLDPETRTGVVIVAAKSGGRKIFGLATATIRFS

General information: TITO was launched using: RESULT: Template: 4V12.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 : 1172 27286 23.28 104.15 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 23.28 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_4V12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4V12-query.scw PDB file : Tito_Scwrl_4V12.pdb: