Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQ--WYG-DFVNKDSLKWLRDDWGITVFRAAMYTADG-GYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQL-KDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN 4M1R Chain:A ((3-294)) ---------------------------------------APITTSGNKVLF-GGQQGSIAGNSFFWSNTGWGGEKYYNAQTVAWLKSDWKSSLVRAAMGVDESGGYITDSYNKTRVTTVVDAAIANNMYVIIDWHSHHA---EQYQSQAIAFFKEMATKYGNNNNVIYEIYNEPLQV-SWSSVIKPYATAVIAEIRKIDPDNLIVVGTPTWSQDVDVAANDPITGYANIAYTLHFYAGTHGQSLRNKASTALSKGIPLFVTEWGSVNADGGGSVATAETNSWVSFMKTNNISNANWALNDKAEGASALVSGASANGGWTSSQLTASGTLAKSIISG------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4M1R.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 : 1778 -128792 -72.44 -448.75 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -72.44 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4M1R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M1R-query.scw PDB file : Tito_Scwrl_4M1R.pdb: