Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCVMMLLFSAIASFPVSAQAKDQDAGILIIYSTLDGKESSQVKMLDLLAGHFTSHVTVKKDSDVEASDFKGKDHVIYYGQTKRKLSQKLLSLISGVKKPVVAIGYNAGQISQFSGLSLARKENVFQVHSRSEKADVSLESGLNVLSVSGLKGTALYTFKADEGTTHSFIWKTKKGNVYIGLTNLLNDNLIVAKQLREAFGEKAGTTLLYLRLEDISPMSDEKLLLQAGTYLHKRHIPFILAVIPVYLNPETGDKVYLSNQPKMVKVLKKLQSMGGSIIVHGYTHAYRYSETGEGFEFWDAKADQPITSGNAEDPPSILEKEQDFPNEQAYHSYLEPFREKEETYTKQKLTRAIEDLTSS-GLYP-LAFEAPHYTMSEYGYQIAS-QYFTSIFGQVQLSSTTWKTSGAPPFVTAPSMLHGMTLYPETIGFVDTSKQNPLGEMEEHISQMIDFEGGVAGGFYHPY--LGMKYLPELVDQMERIPDSEWLDLKKTKQTVKTDKVEIHTSGDGTIQVKNGVSPIYEFFDHHRQTPLEKALWILSAVVLLFVIMFVSYTFYLRATLKKRIFKERRSLG 1NY1 Chain:A ((63-252)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TKEKTIYLTFDN-GYEN--GYTPKVLDVLKKHRVTGTFFVTGHFVKD----------Q---PQLIKRMSDEGHIIGNHSFHHPDLT-------------------T-------------------------------KTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGVFSEYVLKETKRLGYQTVFWSVA----------FVDWKINNQ--KG--------------KKYAYDHMIKQA-----HPGAIYLL--HTVSRDNAEALDDAITDLKKQ-GYTFKSIDDL---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NY1.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 : 942 -83645 -88.80 -452.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -88.80 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_1NY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NY1-query.scw PDB file : Tito_Scwrl_1NY1.pdb: