Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIILLLAVIIAAAAAGVAFYVAKDKGHEKAADVSVNTESGDELLVSITDTDLLTKYYENDKVIHEEKLTSYPAFALDQKQQVLYYTGNNEQNEMRLFKLDLKSHKKTMLYKGA--------ESADSLFLSKDRSTIYFRLGKADE----------------------------SNFRIAAFDLKTKKYKNLYPAANDQDDTVSSFFYNQKNDSFALLHYSVEEDYKKTDEANEKGIDPEPTTIHFAEGR--QNKFNELKSLN------QFISDIAVSDD-DKRILFTSYTQKGTEQTASIQMLNADT-------------------KKYESIISNQKSFKLLIDAQPQFSKDGKNIYFLAEAKGAKKLKDETGREAKVRTIYSYSLENKTFKKVWENPNGIINSFFVIN 4Q1V Chain:A ((119-397)) --------------------------------------------------------------------------NNEDYCAASGNVAYTID-----NNLYVNEKAVTNEPEGIVCGQTVHRNEFGINKGTFWSPKGNLLAFYRMDESMVTQYPLVDITARVGEVNNVRYPMAGMTSHQVKVGIYNPATGKSIYLNAG-DPTDRYFTNISWAPDEKSLYLIEVNRDQ-----------------NHAKLCQYNAETGEPMGVLYEEMHPKYVEPQNPIVFLPWDPTKFIYQSQRDG----YNHLYLFETNAANMKGETYNSANGGSYFQAGKVKQL-TKGNW---LVSEILGFNTKRKEVIFTAVEGLR-------------SGHFAVNVSNGKISQP---------------

General information: TITO was launched using: RESULT: Template: 4Q1V.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 : 1078 -82427 -76.46 -383.38 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -76.46 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4Q1V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q1V-query.scw PDB file : Tito_Scwrl_4Q1V.pdb: