Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MKQEKERILKLVEE---GKLTAQEALT-----LIEKLDSD-------------YKEKEEKITALSVHVHDEEEPFTTAKKESGKPS----LGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWEDDDIRAECQAKVYRADSQDAA-RHAFLQHIECEIKGNKFFIRTEKKTMKTN--VTLYIPQKEYDKIRVKLFNGPVRGEHLHVKEFSAKT---TNGVLSFSYLTAEKAIAETANGQIKLASHSCGTIEAETING---LIDLRGKSESIDVQSFNGNIAINVT---ESDCRSIYAKTTTGNVELAI---PDDLAVKAELKSNLGT--LSHELMDVEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR 4D7E Chain:A ((1-413)) METLLVVGAGPKALAVAAKSHVLRQLGLSAPRVIAVEAHAVGGNWLASGGWTDGRHRLGTSPEKDIGFPYHSTWARGHNREINEAMMAFSWTSFLVEHGTYAEWIDRGRPSPQHHVWAKYLQWVARKI------DLELVLGKVRTIRQGWSVEVAG--ATTELEADGLMITGPGQSTKALAAHPRVLSIAEFWDLAGKRKLPISSRAAVIGGGETAGSALDELVRHEMLTISVISPMASYFENSLFSDPTKWNALSIQERRDVIRRTDRGVFS-------VRVQESLLGD-NRVHHLQGRVTRIVGQGDGVAVTLRNEMRADQVHNFD--LVVDATGGQPLWFLDLFDSESADLLELAVGGPLTQQRIESSIGYDLAVTGLGAKLYLPNMAALAQGPGFP------------NLSCLGELSDRVLR------

General information: TITO was launched using: RESULT: Template: 4D7E.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 : 1668 52864 31.69 160.68 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 31.69 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_4D7E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D7E-query.scw PDB file : Tito_Scwrl_4D7E.pdb: