Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESP---VRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQT----------ESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQE--ARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQ-AEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQ-AIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK 2WHW Chain:B ((48-424)) -------------------------------PYPTYARLRAEGPAHRVRTPEGNEVWLVVGYDRARAVLADPRFSKDWRNSTTPLTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFVF--PDDPAQAQTAM--------AEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIR----

General information: TITO was launched using: RESULT: Template: 2WHW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1731 -201230 -116.25 -558.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -116.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_2WHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WHW-query.scw PDB file : Tito_Scwrl_2WHW.pdb: