Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MMQEETFYSV---RMRASMNGSHEDGGKH--ISGGERL----------IPFHEMKHTVNALLEKGL----SHSRGKPDFMQ-------------IQFEEVHE-----SIKTIQPLP---------VHTNEVSCPEE----GQKLARLLLEKEGVSRDVIEKAYE------------QIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEKWALHSHVPAHSRIKEALALASKVSRHPAVVAELC------WSDDPDYITGYVAGKKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLE---KQPILIEWEEDHDS 4V12 Chain:A ((7-343)) DTSTLESRVGHYYQMEDTYLVGREKVREFARAVQDYHPAHWNLATAADLGHPGLIAPLTFTSAPAMACNQRMFESVVVGYDMYLQTEEVFEQHRPIVEGDELSIDIELTSVRRIAGRDLITVTNTFTDTAGEVVHTLHTTVVGITAEDVDPAIRPAVQGVMMHGINMLGVEETNAPYEKTVRPEGELRIAQGGATRTPTSLNFDDLKVGEELPVHTARLSRGDL--VNYAGVAGDANPLHWDENIAKLAGQPDVIAHGMLTMGLGAGFVSSWSGDPGAITRYAVRLSQPA--VVPAEGTEIEYSGRIKSLDPETRTGVVIVAAKSGGRKIFGLATATIRFS

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 : 1086 37312 34.36 146.32 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 34.36 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.094

(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: