Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKNMYYPYLRGKQFDLLALKEALSRG---------LLSNKIQPVIEPV----------RDSATLKNVIELFQKKHHPIAVIQNPQVGQFKLFDQHVHSWTVKENSSVVPAQILTPENLSE---------VLDSPPAFLVFDGQHYPKDTEVWK--------QLAGVDSKFLIPDTSRFR-IWLP----ENKIVIRDSFQTR---KHVESYADKTD-----------DFFSDD--------------------------YLFFHADG-------YIGFSDFTIEGSRYFDKGFPSRALAIH---LTYIDAYG--------NIRVKHFVSDSNDSAKDQALKFLEAGDKMKKW------IMRHHHQLLITSG-----MIEL------LALYQQQKFPGLGVLKKWSLMHHLELI-SHLLDHPKDWLKYYSKVQELYEVIQ------------------------- 4MR0 Chain:A ((114-571)) TALSVKDYGAVGDGIHDDRQAIQDAIDAAAQGLGGGNVYFPEGTYLVKEIVFLKSHTHLELNEKATILNGINI---KNHPSIVFM---TGLFTDDGAQV-EWGPTEDISYSGGTIDMNGALNEEGTKAKNLPLINSSGAFAIGNSNNVTIKNVTFKDSYQGHAIQIAG--SKNVLVDNSRFLGQALPKTMKDGQIISKESIQIEPLTRKGFPYALNDDGKKSENVTIQNSYFGKSDKSGELVTAIGTHYQTLSTQNPSNIKILNNHFDNMMYAGVRFTGFTDVLIKGNR-FDKKVKGESVHYRESGAALVNAYSYKNTKDLLDLNKQVVIAENIFNIADPKTKAIRVAKDSAEYLGKVSDITVTKNVINNNSKETEQPNIELLRVSDNLVVSENSIFGGKEGIVIEDSKGKITVLNNQFYNLSGKYISFIKSNANGKEPVISDGNFNIVTENGLYKIVTNNLSDKN

General information: TITO was launched using: RESULT: Template: 4MR0.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 : 2058 77845 37.83 250.31 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 37.83 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.081

(partial model without unconserved sides chains): PDB file : Tito_4MR0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MR0-query.scw PDB file : Tito_Scwrl_4MR0.pdb: