Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRA-GFIR--Q-NTSGVYSYMPLAYKVIQNIQQIVREEMEKIDAVEMLMPALQQAETWQESGRWYTYGPELMRLKD-RHGREFALGATHEEVITSLVRDEVKSYKRLPLTLYQIQSKFRDEKRP-RFGLLRGREFIMKDAYSFHASAESLDETYQKMYEAYSNIFARCGINVRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYKNVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDENGRAQPMLMGCYG--IGVSRTLSAIAEQHHDEKGLIWPKSVAPYDLHILALNMKNDGQRELAEKLYADLKAEGYEVLYDDRAERAGVKFADSDLIGLPIRITVGKRA-DEGIVEVKIRQTGESTEISVDELSAFISKQ 1NYR Chain:A ((237-637)) ----------------ERKERDHRKIGKELELFTNSQLVGAGLPLWLPNGATIRREIERYIVDKEVSMGYDHVYTPVLANVDLYKTSGHWDHYQEDMFPPMQLDETESMVLRPMNCPHHMMIYANKPHSYRELPIRIAELGTMHRYEASGAVSGLQRVRGMTLNDSHIFVRP-DQIKEEFKRVVNMIIDVYKDFGFEDYSFRLSYRDPEDK--EKYF-----DDDD-----------MWNKAE-----------------------------------------------------------------NMLKEAADELGLSY-------EEAIGEAAFYGPK--------------------------LDVQVKTA-MGKEET------------------L-STAQ--------LDFLLPERFDLT----YIGQDGEHHRPVVIHRGVVSTMERFVAFLTEETKG----AFPTWLAPKQVQIIPVNVDL--HYDYARQLQDELKSQGVRVSIDDRNEKMGYKIREAQMQKIPYQIVVGDKEVENNQVNVRQYGSQDQETVEKDEFIWNLVD-

General information: TITO was launched using: RESULT: Template: 1NYR.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 : 2006 -117783 -58.72 -300.47 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -58.72 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_1NYR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NYR-query.scw PDB file : Tito_Scwrl_1NYR.pdb: