Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEFSIIDQYFNRQSHPDVALGIGDDSALITPPPNQQLVICADTLVAGRHFPLETLSHAIGWKSVAVNLSDIAAMGAKPHSILLAISLP-QVDHEWLEGFSQGIYDCCNQFGVALIGGDTTQGPHLTITVTAMGWIE-TGKAVLRSGAKVGDYVCVSGQIGDAAYGLQHLGHS----------LQQRLDYPTPRCKLGEELKGL-ASSMIDVSDGLAQDLGHILKASKVGARLILEKLPVDPVLQQLEE-QQRWQYALAGGDDYELCFTITPQNYEKLLQKQ---LDVKITMIGQIVEQTKLTFEH-LGSDYPLQIHGYQHFA 3MCQ Chain:A ((8-309)) -----LIQRYFRRAHP-SAVLGVGDDAALIQPSPGMELAVSADMLVANTHFYPNIDPWLIGWKSLAVNISDMAAMGAQPRWATLTIALPEA-DEDWISKFAAGFFACAAQFDIALIGGDTTRGP-LTISVQIMGETPPGA-SLLRSTARADDDIWVSGPLGDAALALAAIQGRYPLSDTELAACGKALHQPQPRVVLGQ-ALRGLAHSALDISDGLLADLGHILEHSQVGAEVWLKAIPKSEVVSAHSQEVAIQKMILSGGDDYELCFTASTQHRQQ-IADIGRQLSLDMAVIGRITDTQQLVIHGLDDAPLT----------

General information: TITO was launched using: RESULT: Template: 3MCQ.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 : 1509 -36157 -23.96 -127.31 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -23.96 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3MCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MCQ-query.scw PDB file : Tito_Scwrl_3MCQ.pdb: