Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSS--KRGIQTES-----ILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLV-AGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPS--YPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK 2XFH Chain:A ((37-401)) --------------------------------------MREKQPVWQD-RYGVWHVFRHADVQTVLRDTATFSSDPTRVIEGASPTPGMIHEIDPPEHRALRKVVSSAFTPRTISDLEPRIRDVTRSLLADAGE--SFDLVDVLAFPLPVTIVAELLGLPPMDHEQFGDWSGALVDIQMDDPTDPALAERIADVLNP---LTAYLKARCAERRADPGDDLISRLVLAEVDGRALDDEEAANFSTALLLAGHITTTVLLGNIVRTLDEHPAHWDAAAEDPGRIPAIVEEVLRYRPPFPQMQRTTTKATEVAGVPIPADVMVNTWVLSANRDSDAHDDPDRFDPSRKSGGAAQLSFGHGVHFCLGAPLARLENRVALEEIIARFGRLTVDRDDERLRHFEQ-IVLGTRHLPV-----

General information: TITO was launched using: RESULT: Template: 2XFH.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 : 1697 -198709 -117.09 -559.74 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -117.09 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_2XFH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XFH-query.scw PDB file : Tito_Scwrl_2XFH.pdb: