Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMSQIVDIRAREILDSRGNPTIEADVILESGVVGRACAPSGASTGSREALELRDGDKSRYLGKGVRTAVQNVNSSIHELLVGQSVFEQKALDEKMIAFDGTENKSKLGANATLAVSLAAAHAAAAEQKLPLFQYIANLRGQTTLTMPVPMMNILNGGAHADNTVDIQEFMIEPVGFTSFAEALRAGAEVFHSLKSVLKKQGLNTAVGDEGGFAPNLRSNEEAITVILQAIEQTGYKAGSDIMLALDCASSEFYKNGQYILEGEGNKSFTSNQFADYLAGLVKQYPIISIEDGLDESDWEGWSYLTSILGDKIQLVGDDLFVTNPKILQRGIDEKVGNSILIKYNQIGTLTETLDAIYLAKANGYTTVISHRSGETEDSTIADLAVGTAAGQIKTGSLCRSDRVSKYNQLLRIE-ELT-KAVYRGKAEFKGLK 3TQP Chain:A ((3-423)) ---ATITDINAHEILDSRANPTLEVRVTLSSQAYGCAAVPSGA---EREAVELRDNDLERYGGKGVLQAVENVNGPIRDALLGQDPRSQEEIDRIMIELDGTENKANLGANAILGVSLAVAYAAANNADLPLYRYLGGDGG--PFSMPVPMMNIINGG----NNLDFQEFMIVPVGAPTFAEALRYGAEVFHALKKRLVSRGLMSAVGDEGGFAPDLPNNEAAFELILEAIEDANYVPGKDIYLALDAASSELYQNGRYDFE---NNQLTSEEMIDRLTEWTKKYPVISIEDGLSENDWAGWKLLTERLENKVQLVGDDIFVTNPDILEKGIKKNIANAILVKLNQIGTLTETLATVGLAKSNKYGVIISHRSGETEDTTIADLAVATDARQIKTGSLCRSDRVAKYNRLLQIERELNDQAPYAGKEAF----

General information: TITO was launched using: RESULT: Template: 3TQP.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 : 2613 -174419 -66.75 -423.35 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -66.75 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3TQP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQP-query.scw PDB file : Tito_Scwrl_3TQP.pdb: