Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTGLNLLNNPFLNKGTAFTKEERAKYGITGMLPSTVQTLEQQSVQAYGQYLSKQTDLEKRIFLMNLFNTNRTLFYKLMGEHLVEFMPVVYDPVVADSIEQYNEIFLKPQDAAFLSIDEPENIKASLKNAADGRDIRLIVVTDAEGILGMGDWGVNGVDIAIGKLMVYTAAAGINPAQVLPVSIDAGTNNEELLNNPLYLGNRHARVEGETYYEFIDQFVQSATELF-PELLLHWEDFGRGNAAAILEKYEDQITTFNDDIQGTGIVVLAGVLGGLNISGEQLKDQIILTFGAGTAGVGIANILLDEMIRQGVPEEEARQHFYQVDKQGLLFEDTEGLTPGQIPFARKRSDFTNADELTNLEAVVKAIHPTIMIGTSTQPGAFTEEIVKEMAAHTPRPIIMPLSNPTKLAEAKAKDLIEWTDGKALVGTGIPAADVEY-NGVTYQIGQANNALMYPGLGLGLIASTATRVNAEIISQASRALGGIVDV-TKPGAAILPPVAKITEFSQTIAETVAKSVVAQNLNREE--ITDIKEAVESAKWVPEYKSLED 1GQ2 Chain:H ((1-541)) -KKGYEVLRDPHLNKGMAFTLEERQQLNIHGLLPPCFLGQDAQVYSILKNFERLTSDLDRYILLMSLQDRNEKLFYKVLTSDIERFMPIVYTPTVGLACQHYGLAFRRP-RGLFITIHDRGHIATMLQSWP-ESVIKAIVVTDGERILGLGDLGCYGMGIPVGKLALYTACGGVKPHQCLPVMLDVGTDNETLLKDPLYIGLRHKRIRGQAYDDLLDEFMEAVTSRYGMNCLIQFEDFANANAFRLLHKYRNKYCTFNDDIQGTASVAVAGLLAALRITKNRLSDHTVLFQGAGEAALGIANLIVMAMQKEGVSKEEAIKRIWMVDSKGLIVKGRASLTPEKEHFAHEHC------EMKNLEDIVKDIKPTVLIGVAAIGGAFTQQILQDMAAFNKRPIIFALSNPTSKAECTAEQLYKYTEGRGIFASGSPFDPVTLPSGQTLYPGQGNNSYVFPGVALGVISCGLKHIGDDVFLTTAEVIAQEVSEENLQEGRLYPPLVTIQQVSLKIAVRIAKEAYRNNTASTYPQPEDLEAFIRSQVYSTDYNCFV-

General information: TITO was launched using: RESULT: Template: 1GQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 3190 -186114 -58.34 -347.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain H : 0.83 3D Compatibility (PKB) : -58.34 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.561

(partial model without unconserved sides chains): PDB file : Tito_1GQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GQ2-query.scw PDB file : Tito_Scwrl_1GQ2.pdb: