Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCVMMLLFSAIASFPVSAQAKDQDAGILIIYSTLDGKESSQVKMLDLLAGHFTSHVTVKKDSDVEASDFKGKDHVIYYGQTKRKLSQKLLSLISGVKKPVVAIGYNAGQISQFSGLSLARKENVFQVHSRSEKADVSLESGLNVLSVSGLKGTALYTFKADEGTTHSFIWKTKKGNVYIGLTNLLNDNLIVAKQLREAFGEKAGTTLLYLRLEDISPMSDEKLLLQAGTYLHKRHIPFILAVIPVYLNPETGDKVYLSNQPKMVKVLKKLQSMGGSIIVHGYTHAYRYSETGEGFEFWDAKADQPITSGNAEDPPSILEKEQDFPNEQAYHSYLEPFREKEETYTKQKLTRAIEDLTSS-GLYPLAFEAPHYTMSEYGYQIASQYFTSIFGQVQLSSTTWKTSGAPPFVTAPSMLHGMTLYPETIGFVDTSKQNPLGEMEEHISQMIDFEGGVAGGFYHPY--LGMKYLPELVDQMERIPDSEWLDLKK-TKQTVKTDKVEIHTSGDGTIQVKNGVSPIYEFFDHHRQTPLEKALWILSAVVLLFVIMFVSYTFYLRATLKKRIFKERRSLG 2C1I Chain:A ((233-423)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KHQKVVALTFNDGPNP---ATTPQVLETLAKYDIKATFFVLGKNVSG----------N---EDLVKRIKSEGHVVGNHSWSHPILSQ--------------------------------------------------LSLDEAKKQITDTEDVLTKVLGSSSKLMRPPYGAITDDIRNSLD--LSFIM--WDVDSLDW--------KSK-----------------------NEASILTEIQHQ-VANGSIVLM--HDIHSPTVNALPRVIEYLKNQ-GYTFVTIPEMLNTRLKAH--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2C1I.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 : 954 -87919 -92.16 -470.15 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -92.16 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_2C1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C1I-query.scw PDB file : Tito_Scwrl_2C1I.pdb: