Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAAEMGMAETADLRTRLAPLFPGREISLRSAAAPVASPLHRAVASACVLAQPDGADPLFLKLAHPDMQDDLLDTDGAAARLAARAGVAPALVLARPGLLGFAYLALPWRYARTGDLQPPATLAAVLAAKKRLHEGDNLGRRFCPFTRIAQ---------LQAQAEAAQVPLPA----ETAPLLRQAALIQQALIASGMDLRFCHNHAAASNIML----NGSQMMLVDFDIGGDNDPWYDVGALLNE-VCDF-------------DAP---------RRAAIEAYAG---------RCDEALFARCRLYGAVDDLMWGLWGFTRAVTAPRDGIEFWKYGTWRLFQARTTMTMRDFELWLRTV 3LQ3 Chain:A ((154-374)) ----------------------------------------------------------------------------------------------------------IPSRPLKTQELREPVLSAAIATKMAQFHGME------MPFTKEPHWLFGTMERYLKQIQDLPPTGLPEMNLLEMYSLKDEMGNLRKLLESTPSPVVFCHNDIQEGNILLLSEP--DSLMLVDFEYSSYNYRGFDIGNHFCEWVYDYTHEEWPFYKARPTDYPTQEQQLHFIRHYLAEAKKGETLSQEEQRKLEEDLLVEVSRYALASHFFWGLWSILQASMS---TIEF---------------------------

General information: TITO was launched using: RESULT: Template: 3LQ3.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 : 565 -23741 -42.02 -140.48 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -42.02 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_3LQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3lq3-query.scw PDB file : Tito_Scwrl_3LQ3.pdb: