Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESLLIKDIAIVTENEVIKNGYVGINDGKISTVS--TERPKEPYSKEIQAPADSVLLPGMIDIHIHGGYGA---DTMDA-SFSTLDIMSSRLPEEGTTSFLATTITQEHGNISQALVNAREWKAAEESSLLGAELLGIHLEGPFVSPKRAGAQPKEWIRPSDVELFKKWQQEAGGLIKIVTLAPEEDQHFELIRHLKDESIIASMGHTDADSALLSDAAKAGASHMTHLYNAMSPFHHREPGVIGTALAHDGFVTELIADGIHSHPLAAKLAFLAKGSSKLILITDSMRAKGLKDGVYEFGGQSVTVRGRTALLSDGTLAGSILKMNEGARHMREFTNCSWTDIANITSENAAKQLGIFDRKGSVTVGKDADLVIVSSDCEVILTICRGNIAFISKEADQI 1YMY Chain:A ((9-377)) -----------IFTGHEFLDDHAVVIADGLIKSVCPVAELPPEIEQRSLNG---AILSPGFIDVQLNGCGGVQFNDTAEAVSVETLEIMQKANEKSGCTNYLPTLITTSDELMKQGVRVMREYLAKHPN-----QALGLHLEGPWLNLV------PNFVRKPDAALVD-FLCENADVITKVTLAPEMVPA-EVISKLANAGIVVSAGHSNATLKEAKAGFRAGITFATHLYNAMPYITGREPGLAGAILDEADIYCGIIADGLHVDYANIRNAKRLKGD-KLCLVTDATAPAGANIEQFIFAGKTIYYRNGLCVDENGTLSGSSLTMIEGVRNLVEHCGIALDEVLRMATLYPARAIGVEKRLGTLAAGKVANLTAFTPDFKITKTIVNGN-----------

General information: TITO was launched using: RESULT: Template: 1YMY.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 : 2150 22567 10.50 63.21 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 10.50 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_1YMY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YMY-query.scw PDB file : Tito_Scwrl_1YMY.pdb: