Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESLLIKDIAIVTENEVIKNGYVGINDGKISTVS--TERPKEPYSKEIQAPADSVLLPGMIDIHIHGGYGA---DTMDA-SFSTLDIMSSRLPEEGTTSFLATTITQEHGNISQALVNAREWKAAEESSLLGAELLGIHLEGPFVSPKRAGAQPKEWIRPSDVELFKKWQQEAGGLIKIVTLAPEEDQHFELIRHLKDESIIASMGHTDADSALLSDAAKAGASHMTHLYNAMSPFHHREPGVIGTALAHDGFVTELIADGIHSHPLAAKLAFLAKGSSKLILITDSMRAKGLKDGVYEFGGQSVTVRGRTALLSDGTLAGSILKMNEGARHMREFTNCSWTDIANITSENAAKQLGIFDRKGSVTVGKDADLVIVSSDCEVILTICRGNIAFISKEADQI 2P53 Chain:A ((9-377)) -----------IFTGHEFLDDHAVVIADGLIKSVCPVAELPPEIEQRSLNG---AILSPGFIDVQLNGCGGVQFNDTAEAVSVETLEIMQKANEKSGCTNYLPTLITTSDELMKQGVRVMREYLAKHPN-----QALGLHLEGPWLNLVKKGTHNPNFVRKPDAALVD-FLCENADVITKVTLAPEMVPA-EVISKLANAGIVVSAGHSNATLKEAKAGFRAGITFATHLYNAMPYITGREPGLAGAILDEADIYCGIIADGLHVDYANIRNAKRLKGD-KLCLVTNATAPAGANIEQFIFAGKTIYYRNGLCVDENGTLSGSSLTMIEGVRNLVEHCGIALDEVLRMATLYPARAIGVEKRLGTLAAGKVANLTAFTPDFKITKTIVNGN-----------

General information: TITO was launched using: RESULT: Template: 2P53.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 : 2289 31202 13.63 85.96 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 13.63 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2P53.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P53-query.scw PDB file : Tito_Scwrl_2P53.pdb: