Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIIDELTWRDAINQQTNEERLRELVEEKSISLYCGVDPTGDSMHIGHLIPFMMMKRFQLAGHHPYILIGGGTGTIGDPSGRKTERVLQTMEQVQHNVDALSNQMRKLF----------GKDANIT----FVNNYDWLSKISLLEFLRDYGKNFNINTMLAKDIVASRLEVG--ISFTEFTYQILQSIDFLHLHKTYDVQLQIGGADQWGNITAGLDLI------------RKLEGPEA---EAFGLTIPLMLKADGTKFGKTAGGAVWLDPKKTSPFEFYQFWLNQDDRDVVKYLKFFTFLSQEEIEDLAKKVETEPEKREAQRRLAEEVTRFVHSEEDLKEAQKITQALFSGNIKELNAEEIAQGFGKMPNVEISSTPENIVELLVSTKIEPSKRQAREDVSNGAISINGDRVTDLNFVINPSDEFDGKFVVIRKGKKNYFLAKVID 4OJM Chain:X ((52-390)) -----------------TKEHIAELMRTRRIGAYVGIDPTAPSLHVGHLLPLMPLFWMYLEGYKAFTLIGGSTAKIGDPTG--------SSSDATMNMTKIHYQLKKLWENVDTQMRARGYEADWARKRGIVNNNHWWNKQPMLEVLRRVGHALRIGPMLSRDTVKNKMTQGDGVSFAEFTYPIMQGWDWFELFYQQGVQMQIGGSDQYGNIISGLEVVKAARESEPDPQERKYVTPKTALDECVGFTVPLLTDSSGAKFGKSAGNAIWLDPYQTSVFDFYGYFVRRSDQEVENLLKLFTFMPISEITKTMEEHIKDPSKRVAQHTLAREVVTLVHGKQEASAAEDQHRMMYTGQM---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OJM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1271 -38565 -30.34 -128.55 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain X : 0.76 3D Compatibility (PKB) : -30.34 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_4OJM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OJM-query.scw PDB file : Tito_Scwrl_4OJM.pdb: