Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNRSGK-----HLISSIILYPRPSGECISSISLDKQTQATTSPLYFCWREK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4MR0 Chain:A ((114-571)) TALSVKDYGAVGDGIHDDRQAIQDAIDAAAQGLGGGNVYFPEGTYLVKEIVFLKSHTHLELNEKATILNGINIKNHPSIVFMTGLFTDDGAQVEWGPTEDISYSGGTIDMNGALNEEGTKAKNLPLINSSGAFAIGNSNNVTIKNVTFKDSYQGHAIQIAGSKNVLVDNSRFLGQALPKTMKDGQIISKESIQIEPLTRKGFPYALNDDGKKSENVTIQNSYFGKSDKSGELVTAIGTHYQTLSTQNPSNIKILNNHFDNMMYAGVRFTGFTDVLIKGNRFDKKVKGESVHYRESGAALVNAYSYKNTKDLLDLNKQVVIAENIFNIADPKTKAIRVAKDSAEYLGKVSDITVTKNVINNNSKETEQPNIELLRVSDNLVVSENSIFGGKEGIVIEDSKGKITVLNNQFYNLSGKYISFIKSNANGKEPVISDGNFNIVTENGLYKIVTNNLSDKN

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 : 66 -1118 -16.93 -24.29 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -16.93 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.180

(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: