Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCVMMLLFSAIASFPVSAQAKDQDAGILIIYSTLDGKESSQVKMLDLLAGHFTSHVTVKKDSDVEASDFKGKDHVIYYGQTKRKLSQKLLSLISGVKKPVVAIGYNAGQISQFSGLSLARKENVFQVHSRSEKADVSLESGLNVLSVSGLKGTALYTFKADEGTTHSFIWKTKKGNVYIGLTNLLNDNLIVAKQLREAFGEKAGTTLLYLRLEDISPMSDEKLLLQAGTYLHKRHIPFILAVIPVYLNPETGDKVYLSNQPKMVKVLKKLQSMGGSIIVHGYTHAYRYSETGEGFEFWDAKADQPITSGNAEDPPSILEKEQDFPNEQAYHSYLEPFREKEETYTKQKLTRAIEDLTSS-GLYPLAFEAPHYTMSEYGYQIAS-QYFTSIFGQVQLSSTTWKTSGAPPFVTAPSMLHGMTLYPETIGFVDTSKQNPLGEMEEHISQMIDFEGGVAGGFYHPYL--GMKYLPELVDQMERIPDSEWLDLKKTKQTVKTDKVEIHTSGDGTIQVKNGVSPIYEFFDHHRQTPLEKALWILSAVVLLFVIMFVSYTFYLRATLKKRIFKERRSLG 2CC0 Chain:A ((4-187)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGYVGLTFDDG-PSG---STQSLLNALRQNGLRATMFNQGQYAAQ----------N---PSLVRAQVDAGMWVANHSYTHPHMTQ-------------------L-------------------------------GQAQMDSEISRTQQAIAGAGGGTPKLFRPPYGETNATLRSVEAKYGLTEVIWDVD--SQDWN--------NA-----S----TD--------------AIVQAVSR--LGNGQVILM--HDWPANTLAAIPRIAQTLAGK-GLCSGMISPQTG-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CC0.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 : 995 -77768 -78.16 -432.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -78.16 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_2CC0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CC0-query.scw PDB file : Tito_Scwrl_2CC0.pdb: